# # This is the NASA thermodynamic database, which is available for download # from http://www.galcit.caltech.edu/EDL/public/thermo.html. The original # sources are # # S. Gordon and B.J. McBride, "Computer Program for Calculation of Complex # Chemical Equilibrium Composition, Rocket Performance, Incident and # Reflected Shocks and Chapman-Jouguet Detonations", NASA Report SP-273, 1971. # # B.J. McBride, S. Gordon, and M.A. Reno, "Coefficients for Calculating # Thermodynamic and Transport Properties of Individual Species", NASA # Report TM-4513, October 1993. # #----------------------------------------------------------------------------- species(name = "Electron", atoms = " E:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, -1.172469020E+01] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, -1.172469020E+01] ) ) # note = "gas L10/92" ) species(name = "AL", atoms = " Al:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.111124330E+00, -3.593823100E-03, 8.147493130E-06, -8.088089660E-09, 2.931324630E-12, 3.882833900E+04, 2.840457240E+00] ), NASA( [ 1000.00, 6000.00], [ 2.533857010E+00, -4.658594920E-05, 2.827980480E-08, -8.543620130E-12, 1.022079830E-15, 3.890456620E+04, 5.379841730E+00] ) ) # note = "J 6/83" ) species(name = "AL+", atoms = " Al:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.090281410E+05, 3.791005860E+00] ), NASA( [ 1000.00, 6000.00], [ 2.512153370E+00, -2.610113000E-05, 1.903604630E-08, -5.688814930E-12, 6.005299950E-16, 1.090239950E+05, 3.725382610E+00] ) ) # note = "J 6/83" ) species(name = "AL-", atoms = " Al:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.647318980E+00, -7.203715920E-04, 1.025396120E-06, -3.511181970E-11, -2.389329740E-13, 3.300492520E+04, 5.308766650E+00] ), NASA( [ 1000.00, 6000.00], [ 2.189634890E+00, 8.034462110E-04, -3.793895350E-07, 6.900598530E-11, -4.398841160E-15, 3.309602600E+04, 7.555571870E+00] ) ) # note = "J 6/83" ) species(name = "ALBO2", atoms = " Al:1 B:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.308723400E+00, 1.889053900E-02, -2.063334800E-05, 1.025132400E-08, -1.694128300E-12, -6.648216700E+04, 1.447701850E+01] ), NASA( [ 1000.00, 5000.00], [ 7.172299500E+00, 2.978074100E-03, -1.243110700E-06, 2.318877900E-10, -1.604120800E-14, -6.768368200E+04, -9.981739760E+00] ) ) # note = "J 6/66" ) species(name = "ALBr", atoms = " Al:1 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.490061100E+00, 4.547679700E-03, -8.193557800E-06, 6.866615200E-09, -2.176505800E-12, 7.294530600E+02, 7.886647570E+00] ), NASA( [ 1000.00, 5000.00], [ 4.382242400E+00, 2.120070700E-04, -7.076444700E-08, 1.065901800E-11, 1.483026600E-16, 5.761684900E+02, 3.739108570E+00] ) ) # note = "J 9/79" ) species(name = "ALBr3", atoms = " Al:1 Br:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.253720600E+00, 1.608021700E-02, -2.865975800E-05, 2.361607600E-08, -7.393131400E-12, -5.173521100E+04, 2.683658070E+00] ), NASA( [ 1000.00, 5000.00], [ 9.615059000E+00, 4.446854600E-04, -1.990298300E-07, 3.925181800E-11, -2.842797500E-15, -5.234954400E+04, -1.311910900E+01] ) ) # note = "J 9/79" ) species(name = "ALC", atoms = " Al:1 C:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.642248300E+00, 6.446516100E-03, -9.589237600E-06, 6.904080500E-09, -1.943077900E-12, 8.192987400E+04, 1.026736200E+01] ), NASA( [ 1000.00, 5000.00], [ 4.156447800E+00, 4.469249000E-04, -1.746704000E-07, 3.430433600E-11, -2.477270600E-15, 8.160660500E+04, 2.904725210E+00] ) ) # note = "J 6/63" ) species(name = "ALCL", atoms = " Al:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.122228600E+00, 5.928047400E-03, -1.041583200E-05, 8.555106500E-09, -2.672238000E-12, -7.307583900E+03, 8.253356140E+00] ), NASA( [ 1000.00, 5000.00], [ 4.339527100E+00, 2.483887400E-04, -8.292185200E-08, 1.234231900E-11, -2.375581800E-17, -7.528108100E+03, 2.537294240E+00] ) ) # note = "J 9/79" ) species(name = "ALCL+", atoms = " Al:1 Cl:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.869835200E+00, 6.653458600E-03, -1.132770700E-05, 9.070297400E-09, -2.779464000E-12, 1.025974100E+05, 1.001995260E+01] ), NASA( [ 1000.00, 5000.00], [ 4.628496500E+00, -3.475053500E-04, 2.299735100E-07, -2.427979800E-11, -2.644054400E-16, 1.022044700E+05, 1.430399890E+00] ) ) # note = "J 6/76" ) species(name = "ALCLF", atoms = " Al:1 Cl:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.217596800E+00, 1.452454900E-02, -2.392248800E-05, 1.862160900E-08, -5.590366700E-12, -6.030550800E+04, 1.227181850E+01] ), NASA( [ 1000.00, 5000.00], [ 6.426262200E+00, 6.786116800E-04, -3.118639200E-07, 6.214237900E-11, -4.251957300E-15, -6.093876900E+04, -3.062270760E+00] ) ) # note = "J 6/76" ) species(name = "ALCLF+", atoms = " Al:1 Cl:1 F:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.734129200E+00, 1.388904300E-02, -2.222253900E-05, 1.693768300E-08, -5.006134200E-12, 3.164775500E+04, 6.669147470E+00] ), NASA( [ 1000.00, 5000.00], [ 6.883590500E+00, 7.050936600E-04, -3.136608800E-07, 6.160731000E-11, -4.449053700E-15, 3.100599000E+04, -8.482113530E+00] ) ) # note = "J 6/76" ) species(name = "ALCLF2", atoms = " Al:1 Cl:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.490524500E+00, 2.341062200E-02, -3.673080200E-05, 2.757748500E-08, -8.057087400E-12, -1.219785700E+05, 1.035983440E+01] ), NASA( [ 1000.00, 5000.00], [ 8.867454400E+00, 1.293331900E-03, -5.746879600E-07, 1.127841900E-10, -8.139815400E-15, -1.230925000E+05, -1.560078460E+01] ) ) # note = "J 6/76" ) species(name = "ALCL2", atoms = " Al:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.933674100E+00, 1.292891800E-02, -2.276799200E-05, 1.860551500E-08, -5.790027900E-12, -3.529661900E+04, 9.401866760E+00] ), NASA( [ 1000.00, 5000.00], [ 6.641413300E+00, 4.339190700E-04, -2.034245600E-07, 4.090013500E-11, -2.720937500E-15, -3.579468900E+04, -3.348439040E+00] ) ) # note = "J 6/76" ) species(name = "ALCL2+", atoms = " Al:1 Cl:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.356112800E+00, 1.264061200E-02, -2.155406000E-05, 1.722275300E-08, -5.274447300E-12, 5.616973600E+04, 4.493047380E+00] ), NASA( [ 1000.00, 5000.00], [ 7.095457700E+00, 4.652547000E-04, -2.076647900E-07, 4.087990600E-11, -2.956891400E-15, 5.564377500E+04, -8.518098620E+00] ) ) # note = "J 6/76" ) species(name = "ALCL2-", atoms = " Al:1 Cl:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.251094600E+00, 1.196856200E-02, -2.153822900E-05, 1.786923000E-08, -5.622075300E-12, -5.951306100E+04, 7.393261850E+00] ), NASA( [ 1000.00, 5000.00], [ 6.712561800E+00, 3.465683600E-04, -1.588435400E-07, 2.995006300E-11, -1.654481500E-15, -5.995425700E+04, -4.136329150E+00] ) ) # note = "J 6/76" ) species(name = "ALCL2F", atoms = " Al:1 Cl:2 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.255166400E+00, 2.201678900E-02, -3.627698600E-05, 2.827484200E-08, -8.501109500E-12, -9.708888700E+04, 8.024887650E+00] ), NASA( [ 1000.00, 5000.00], [ 9.147606700E+00, 9.766915900E-04, -4.348867600E-07, 8.546407500E-11, -6.173947400E-15, -9.806028700E+04, -1.537911970E+01] ) ) # note = "J 6/76" ) species(name = "ALCL3", atoms = " Al:1 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.913266500E+00, 2.103186400E-02, -3.654693100E-05, 2.958681200E-08, -9.145100500E-12, -7.244105600E+04, 4.942996040E+00] ), NASA( [ 1000.00, 5000.00], [ 9.404108300E+00, 6.864187200E-04, -3.066385000E-07, 6.039150900E-11, -4.369357400E-15, -7.328581300E+04, -1.629638310E+01] ) ) # note = "J 9/79" ) species(name = "ALF", atoms = " Al:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.647292500E+00, 6.082268600E-03, -8.596342900E-06, 5.897983700E-09, -1.588676500E-12, -3.294926000E+04, 9.313912430E+00] ), NASA( [ 1000.00, 5000.00], [ 4.126139500E+00, 4.626805400E-04, -1.747773300E-07, 3.001548400E-11, -1.532884100E-15, -3.327593800E+04, 2.066407430E+00] ) ) # note = "J 9/79" ) species(name = "ALF+", atoms = " Al:1 F:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.725305300E+00, 4.812031300E-03, -5.441171900E-06, 2.743908400E-09, -3.587519200E-13, 8.225046800E+04, 9.723361090E+00] ), NASA( [ 1000.00, 5000.00], [ 3.352218600E+00, 1.310386700E-03, -1.431838300E-07, -4.544233000E-11, 7.342074900E-15, 8.223250000E+04, 7.083708390E+00] ) ) # note = "J 6/76" ) species(name = "ALF2", atoms = " Al:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.740846500E+00, 1.446674500E-02, -2.152061900E-05, 1.541198900E-08, -4.322979700E-12, -8.483459400E+04, 1.267668180E+01] ), NASA( [ 1000.00, 5000.00], [ 6.157930000E+00, 9.813228700E-04, -4.453502800E-07, 8.820596000E-11, -6.126225500E-15, -8.556647900E+04, -3.951192330E+00] ) ) # note = "J 6/76" ) species(name = "ALF2+", atoms = " Al:1 F:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.123917600E+00, 1.452305600E-02, -2.131544300E-05, 1.515613300E-08, -4.237409600E-12, 9.654507200E+03, 7.474176450E+00] ), NASA( [ 1000.00, 5000.00], [ 6.592539400E+00, 1.031948900E-03, -4.573944000E-07, 8.962059900E-11, -6.460982500E-15, 8.899194300E+03, -9.459697650E+00] ) ) # note = "J 6/76" ) species(name = "ALF2-", atoms = " Al:1 F:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.671535000E+00, 1.560194400E-02, -2.441932200E-05, 1.825316900E-08, -5.306477500E-12, -1.105086000E+05, 1.233823370E+01] ), NASA( [ 1000.00, 5000.00], [ 6.266674500E+00, 8.371117200E-04, -3.684002100E-07, 7.015047700E-11, -4.687629800E-15, -1.112529000E+05, -5.021179660E+00] ) ) # note = "J 6/76" ) species(name = "ALF2O", atoms = " Al:1 F:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.087409000E+00, 2.383323900E-02, -3.606298300E-05, 2.626891900E-08, -7.485676000E-12, -1.350654000E+05, 1.189367180E+01] ), NASA( [ 1000.00, 5000.00], [ 8.820562200E+00, 1.254869400E-03, -5.452446500E-07, 1.203686000E-10, -9.648359900E-15, -1.363066800E+05, -1.604287220E+01] ) ) # note = "J 6/76" ) species(name = "ALF2O-", atoms = " Al:1 F:2 O:1 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.919759700E+00, 2.409401300E-02, -3.608094400E-05, 2.606784800E-08, -7.380837900E-12, -1.591815200E+05, 1.183108220E+01] ), NASA( [ 1000.00, 5000.00], [ 8.614278600E+00, 1.578459600E-03, -7.002911500E-07, 1.372921200E-10, -9.901398500E-15, -1.604033600E+05, -1.587925080E+01] ) ) # note = "J 6/76" ) species(name = "ALF3", atoms = " Al:1 F:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.102854120E+00, 2.234557650E-02, -3.145886900E-05, 2.115820730E-08, -5.538960730E-12, -1.471267970E+05, 1.015970690E+01] ), NASA( [ 1000.00, 6000.00], [ 8.728972290E+00, 1.314285590E-03, -5.175995810E-07, 8.867827890E-11, -5.528373630E-15, -1.483903300E+05, -1.750366610E+01] ) ) # note = "J 9/79" ) species(name = "ALF4-", atoms = " Al:1 F:4 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.587859300E+00, 3.993044100E-02, -6.573691400E-05, 5.116305500E-08, -1.535869500E-11, -2.415964900E+05, 1.130157700E+01] ), NASA( [ 1000.00, 5000.00], [ 1.147145100E+01, 1.752578600E-03, -7.806422700E-07, 1.534447400E-10, -1.108637400E-14, -2.433603600E+05, -3.119807500E+01] ) ) # note = "J 6/76" ) species(name = "ALH", atoms = " Al:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.657685700E+00, -1.974469800E-03, 6.866339800E-06, -6.204140400E-09, 1.866310300E-12, 3.014645800E+04, 2.088511030E+00] ), NASA( [ 1000.00, 5000.00], [ 3.336689800E+00, 1.287786400E-03, -4.986994100E-07, 9.229463300E-11, -6.345169400E-15, 3.009176100E+04, 3.095488230E+00] ) ) # note = "J 6/63" ) species(name = "ALI", atoms = " Al:1 I:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.376193860E+00, 6.203580000E-03, -1.334379880E-05, 1.289780400E-08, -4.592625080E-12, 6.984689440E+03, 9.209802770E+00] ), NASA( [ 1000.00, 6000.00], [ 4.300678350E+00, 3.945267980E-04, -1.947178770E-07, 4.317665940E-11, -2.509959420E-15, 6.877338390E+03, 5.195549900E+00] ) ) # note = "J 9/79" ) species(name = "ALI3", atoms = " Al:1 I:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.976129800E+00, 1.321277800E-02, -2.382907300E-05, 1.979639300E-08, -6.233627600E-12, -2.574158500E+04, 2.147667160E+00] ), NASA( [ 1000.00, 5000.00], [ 9.709249600E+00, 3.366469200E-04, -1.509485400E-07, 2.981315800E-11, -2.161799400E-15, -2.623399600E+04, -1.066399430E+01] ) ) # note = "J 9/79" ) species(name = "ALN", atoms = " Al:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.644865000E+00, 6.541687600E-03, -9.862533900E-06, 7.188232300E-09, -2.044484500E-12, 6.189738200E+04, 1.084786440E+01] ), NASA( [ 1000.00, 5000.00], [ 4.145046800E+00, 4.856096200E-04, -2.012640900E-07, 4.125948800E-11, -2.885430800E-15, 6.158324000E+04, 3.582342980E+00] ) ) # note = "J12/79" ) species(name = "ALO", atoms = " Al:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.811610300E+00, 3.958426100E-03, -3.369530400E-06, 6.733049700E-10, 4.008945500E-13, 7.065503700E+03, 9.208957530E+00] ), NASA( [ 1000.00, 5000.00], [ 3.313906400E+00, 1.045242100E-03, 2.748553300E-07, -1.792860600E-10, 1.998781300E-14, 7.094333600E+03, 7.209634230E+00] ) ) # note = "J12/79" ) species(name = "ALO+", atoms = " Al:1 O:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.941443400E+00, 5.259216800E-03, -7.343907300E-06, 5.331678300E-09, -1.578333600E-12, 1.183746900E+05, 9.735382520E+00] ), NASA( [ 1000.00, 5000.00], [ 4.190846700E+00, 6.935819800E-04, -3.445999900E-07, 7.617232700E-11, -5.903240000E-15, 1.180743900E+05, 3.529519820E+00] ) ) # note = "J12/79" ) species(name = "ALO-", atoms = " Al:1 O:1 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.722675400E+00, 4.947551800E-03, -5.757175400E-06, 3.142440000E-09, -6.415283200E-13, -3.339129600E+04, 8.836313720E+00] ), NASA( [ 1000.00, 5000.00], [ 4.038055500E+00, 5.583711000E-04, -2.188866500E-07, 3.853302400E-11, -2.109555000E-15, -3.371008900E+04, 2.244806520E+00] ) ) # note = "J12/79" ) species(name = "ALOCL", atoms = " Al:1 O:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.244440900E+00, 1.411700500E-02, -1.932203800E-05, 1.196279800E-08, -2.706918000E-12, -4.331234300E+04, 8.005372110E+00] ), NASA( [ 1000.00, 5000.00], [ 6.780520000E+00, 7.966282200E-04, -3.423335500E-07, 6.502264800E-11, -4.551919700E-15, -4.408083200E+04, -9.300140390E+00] ) ) # note = "J 9/64" ) species(name = "ALOF", atoms = " Al:1 O:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.039146100E+00, 1.894876200E-02, -2.897877000E-05, 2.136094100E-08, -6.157987300E-12, -7.118233300E+04, 1.238659820E+01] ), NASA( [ 1000.00, 5000.00], [ 6.452162200E+00, 1.192659500E-03, -5.289313700E-07, 1.036781100E-10, -7.476536700E-15, -7.211636300E+04, -9.018127810E+00] ) ) # note = "J12/75" ) species(name = "ALOH", atoms = " Al:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.613221100E+00, 2.771689400E-03, 7.415783000E-06, -1.135460200E-08, 4.556955900E-12, -2.258679700E+04, 1.007533030E+01] ), NASA( [ 1000.00, 5000.00], [ 3.686067400E+00, 3.363682200E-03, -1.246624400E-06, 2.138220500E-10, -1.389831900E-14, -2.304610500E+04, 3.690155590E+00] ) ) # note = "J12/67" ) species(name = "ALOH+", atoms = " Al:1 O:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.960343900E+00, 7.919114000E-03, -2.285795900E-06, -4.010378900E-09, 2.570759600E-12, 6.451018500E+04, 1.410617760E+01] ), NASA( [ 1000.00, 5000.00], [ 4.150198700E+00, 2.892521200E-03, -1.056541400E-06, 1.794516700E-10, -1.158701400E-14, 6.389288800E+04, 2.640138120E+00] ) ) # note = "J12/67" ) species(name = "ALOH-", atoms = " Al:1 O:1 H:1 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.913020400E+00, 5.953071500E-03, -3.055805400E-06, -1.259870900E-09, 1.288609400E-12, -2.878182700E+04, 1.062246690E+01] ), NASA( [ 1000.00, 5000.00], [ 4.301071800E+00, 2.166850300E-03, -7.398864500E-07, 1.182105500E-10, -7.220884100E-15, -2.913409500E+04, 3.527007550E+00] ) ) # note = "J12/67" ) species(name = "ALO2", atoms = " Al:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.254514800E+00, 1.427584400E-02, -2.110324800E-05, 1.505625900E-08, -4.214261400E-12, -1.181258200E+04, 8.302554930E+00] ), NASA( [ 1000.00, 5000.00], [ 6.606464100E+00, 1.080225200E-03, -5.222934400E-07, 1.132422000E-10, -8.529096800E-15, -1.253243200E+04, -8.017175870E+00] ) ) # note = "J12/79" ) species(name = "ALO2-", atoms = " Al:1 O:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.081203800E+00, 1.303965400E-02, -1.711992200E-05, 1.097870000E-08, -2.794212000E-12, -6.020620300E+04, 7.501566860E+00] ), NASA( [ 1000.00, 5000.00], [ 6.368748200E+00, 1.279203000E-03, -5.650399100E-07, 1.104637900E-10, -7.951244200E-15, -6.097200900E+04, -8.798795040E+00] ) ) # note = "J12/79" ) species(name = "ALO2H", atoms = " Al:1 O:2 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.480045600E+00, 1.614926400E-02, -1.603352400E-05, 6.446616600E-09, -4.099476900E-13, -5.668275900E+04, 1.230707100E+01] ), NASA( [ 1000.00, 5000.00], [ 6.426434600E+00, 3.223036200E-03, -1.213934800E-06, 2.107450000E-10, -1.382800000E-14, -5.762615400E+04, -7.457592560E+00] ) ) # note = "J12/68" ) species(name = "ALS", atoms = " Al:1 S:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.714551830E+00, 7.311807250E-03, -1.265289250E-05, 1.017961650E-08, -2.876133870E-12, 2.764349140E+04, 1.056695990E+01] ), NASA( [ 1000.00, 6000.00], [ 1.981711180E+00, 3.975264370E-03, -1.494288580E-06, 2.263658700E-10, -1.210363840E-14, 2.824057540E+04, 1.598822730E+01] ) ) # note = "J12/79" ) species(name = "AL2", atoms = " Al:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.809448100E+00, 1.593650200E-02, -2.725025800E-05, 1.987112000E-08, -5.368404600E-12, 5.753113400E+04, 1.407208080E+01] ), NASA( [ 1000.00, 5000.00], [ 5.815806200E+00, -1.325053700E-03, 6.075188600E-07, -1.069241900E-10, 7.061140900E-15, 5.678904700E+04, -4.954710630E+00] ) ) # note = "J 6/79" ) species(name = "AL2Br6", atoms = " Al:2 Br:6 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.418597900E+01, 3.445250600E-02, -6.252243700E-05, 5.217323800E-08, -1.648270900E-11, -1.180252500E+05, -2.292910600E+01] ), NASA( [ 1000.00, 5000.00], [ 2.127433100E+01, 8.393963500E-04, -3.759477800E-07, 7.417011000E-11, -5.372855100E-15, -1.192932500E+05, -5.610682000E+01] ) ) # note = "J 9/79" ) species(name = "AL2CL6", atoms = " Al:2 Cl:6 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.050919800E+01, 4.907743600E-02, -8.720872600E-05, 7.172343200E-08, -2.242432800E-11, -1.605178400E+05, -1.408406710E+01] ), NASA( [ 1000.00, 5000.00], [ 2.079400300E+01, 1.391424700E-03, -6.221367100E-07, 1.225937700E-10, -8.872758500E-15, -1.624047200E+05, -6.247318810E+01] ) ) # note = "J 9/79" ) species(name = "AL2F6", atoms = " Al:2 F:6 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.161811800E+00, 6.889889000E-02, -1.096586000E-04, 8.329334200E-08, -2.456104900E-11, -3.199424800E+05, 1.221256400E+01] ), NASA( [ 1000.00, 5000.00], [ 1.882984600E+01, 3.620223000E-03, -1.608555200E-06, 3.156625200E-10, -2.278028700E-14, -3.231511000E+05, -6.324007900E+01] ) ) # note = "J 9/79" ) species(name = "AL2I6", atoms = " Al:2 I:6 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.622549800E+01, 2.593843900E-02, -4.764235200E-05, 4.008368500E-08, -1.273718400E-11, -6.451949700E+04, -2.654041430E+01] ), NASA( [ 1000.00, 5000.00], [ 2.150319100E+01, 5.759419300E-04, -2.583902800E-07, 5.104597700E-11, -3.701773800E-15, -6.544913100E+04, -5.116606630E+01] ) ) # note = "J 9/79" ) species(name = "AL2O", atoms = " Al:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.073265600E+00, 1.130761300E-02, -1.656516200E-05, 1.178428400E-08, -3.300550300E-12, -1.905423000E+04, 4.408348310E+00] ), NASA( [ 1000.00, 5000.00], [ 6.772062700E+00, 8.255009200E-04, -3.629100100E-07, 6.953130000E-11, -4.734521100E-15, -1.964319700E+04, -8.772331290E+00] ) ) # note = "J12/79" ) species(name = "AL2O+", atoms = " Al:2 O:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.104573600E+00, 1.197835100E-02, -1.852258900E-05, 1.375669100E-08, -3.986742300E-12, 7.685270300E+04, 5.102572480E+00] ), NASA( [ 1000.00, 5000.00], [ 6.879785500E+00, 7.074987700E-04, -3.141924400E-07, 6.164098300E-11, -4.447869800E-15, 7.627075600E+04, -8.331814420E+00] ) ) # note = "J12/79" ) species(name = "AL2O2", atoms = " Al:2 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.759641100E+00, 2.999759900E-02, -5.219049700E-05, 4.228268600E-08, -1.307536000E-11, -4.922603200E+04, 1.110077200E+01] ), NASA( [ 1000.00, 5000.00], [ 9.159097600E+00, 9.685392700E-04, -4.325851300E-07, 8.517884000E-11, -6.161537000E-15, -5.042805900E+04, -1.915646800E+01] ) ) # note = "J12/79" ) species(name = "AL2O2+", atoms = " Al:2 O:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.342190400E+00, 2.811124900E-02, -4.954717800E-05, 4.050975200E-08, -1.261031000E-11, 6.636250600E+04, 9.290241670E+00] ), NASA( [ 1000.00, 5000.00], [ 9.275169300E+00, 8.358722300E-04, -3.736160800E-07, 7.360516800E-11, -5.326279400E-15, 6.526406800E+04, -1.867725860E+01] ) ) # note = "J12/79" ) species(name = "Ar", atoms = " Ar:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 4.379674910E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 4.379674910E+00] ) ) # note = "L 6/88" ) species(name = "Ar+", atoms = " Ar:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.593160970E+00, -1.328929440E-03, 5.265039440E-06, -5.979566910E-09, 2.189678620E-12, 1.828783680E+05, 5.449805750E+00] ), NASA( [ 1000.00, 6000.00], [ 2.869995470E+00, -1.425472420E-04, 9.366887760E-09, 2.925808590E-12, -3.582479410E-16, 1.827026170E+05, 3.532299800E+00] ) ) # note = "L10/92" ) species(name = "B", atoms = " B:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.510540990E+00, -6.238013280E-05, 1.421780990E-07, -1.416977960E-10, 5.150187490E-14, 6.660538940E+04, 4.163672090E+00] ), NASA( [ 1000.00, 6000.00], [ 2.498602730E+00, 1.402673220E-06, 1.094582780E-09, -1.200064140E-12, 2.431219940E-16, 6.660759140E+04, 4.218879790E+00] ) ) # note = "J 6/83" ) species(name = "B+", atoms = " B:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.636319600E+05, 2.419077080E+00] ), NASA( [ 1000.00, 6000.00], [ 2.512071180E+00, -2.600084910E-05, 1.904117550E-08, -5.718400710E-12, 6.068930370E-16, 1.636278510E+05, 2.353926990E+00] ) ) # note = "J 6/83" ) species(name = "B-", atoms = " B:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.501202710E+00, -5.734272080E-06, 1.096704350E-08, -9.503035330E-12, 3.089357740E-15, 6.264158060E+04, 4.610781380E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500075920E+00, -8.172942560E-08, 3.299657830E-11, -5.746496520E-15, 3.623660560E-19, 6.264176930E+04, 4.615985930E+00] ) ) # note = "J 6/83" ) species(name = "BCL", atoms = " B:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.836446300E+00, 4.436881200E-03, -4.388752200E-06, 1.516107800E-09, 3.264619500E-14, 1.600136100E+04, 8.345332090E+00] ), NASA( [ 1000.00, 5000.00], [ 4.102057100E+00, 4.865919300E-04, -1.886432600E-07, 3.583334200E-11, -2.509906900E-15, 1.568795800E+04, 1.955251190E+00] ) ) # note = "J12/64" ) species(name = "BCL+", atoms = " B:1 Cl:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.812419700E+00, 4.600639200E-03, -4.811996200E-06, 1.967221600E-09, -1.383780200E-13, 1.474484900E+05, 9.156682450E+00] ), NASA( [ 1000.00, 5000.00], [ 4.106088800E+00, 4.727417000E-04, -1.792858400E-07, 3.241613700E-11, -2.054575800E-15, 1.471309700E+05, 2.642729450E+00] ) ) # note = "J 6/68" ) species(name = "BCLF", atoms = " B:1 Cl:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.312023400E+00, 7.419876300E-03, -4.348594900E-06, -1.137405700E-09, 1.376389000E-12, -3.901754800E+04, 1.094835630E+01] ), NASA( [ 1000.00, 5000.00], [ 5.707675700E+00, 1.410020300E-03, -6.011413700E-07, 1.136704400E-10, -7.936806300E-15, -3.969332700E+04, -1.535038380E+00] ) ) # note = "J12/64" ) species(name = "BCL2", atoms = " B:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.297478600E+00, 1.208257600E-02, -1.612375500E-05, 9.626585600E-09, -2.059919900E-12, -1.095653700E+04, 1.104253330E+01] ), NASA( [ 1000.00, 5000.00], [ 6.445983800E+00, 5.792794800E-04, -2.604970500E-07, 6.359635800E-11, -5.398221500E-15, -1.166130400E+04, -4.460869770E+00] ) ) # note = "J 6/72" ) species(name = "BCL2+", atoms = " B:1 Cl:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.270493100E+00, 1.060379100E-02, -1.422983800E-05, 8.537283100E-09, -1.834967100E-12, 7.943601600E+04, 4.076450690E+00] ), NASA( [ 1000.00, 5000.00], [ 6.926662700E+00, 6.777763300E-04, -3.210149600E-07, 6.834442200E-11, -5.007359200E-15, 7.885782200E+04, -8.934626610E+00] ) ) # note = "J12/70" ) species(name = "BCL2-", atoms = " B:1 Cl:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.235879100E+00, 1.169021900E-02, -1.477825900E-05, 8.218154600E-09, -1.565791300E-12, -1.898181500E+04, 1.069001040E+01] ), NASA( [ 1000.00, 5000.00], [ 6.351821800E+00, 7.702884800E-04, -4.469986300E-07, 1.383117800E-10, -1.322199500E-14, -1.970543200E+04, -4.774720730E+00] ) ) # note = "J 6/72" ) species(name = "BCL3", atoms = " B:1 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.739526500E+00, 1.810581300E-02, -2.134046100E-05, 1.082833500E-08, -1.732596700E-12, -5.021460900E+04, 9.053127470E+00] ), NASA( [ 1000.00, 5000.00], [ 8.598538000E+00, 1.553192300E-03, -6.700060200E-07, 1.278911200E-10, -9.000005900E-15, -5.135707100E+04, -1.515842970E+01] ) ) # note = "J12/64" ) species(name = "BF", atoms = " B:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.461360900E+00, -9.568546800E-04, 6.013574400E-06, -6.497805700E-09, 2.235534900E-12, -1.496982000E+04, 4.460779630E+00] ), NASA( [ 1000.00, 5000.00], [ 3.577188800E+00, 1.019290800E-03, -4.125156400E-07, 7.719643800E-11, -5.349874100E-15, -1.512726400E+04, 3.266122430E+00] ) ) # note = "J12/64" ) species(name = "BF2", atoms = " B:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.030930300E+00, 7.241102100E-03, -2.825091900E-06, -2.892041300E-09, 2.004610200E-12, -7.215110200E+04, 1.044570350E+01] ), NASA( [ 1000.00, 5000.00], [ 5.444745700E+00, 1.753321100E-03, -7.844447400E-07, 1.571985900E-10, -1.131107100E-14, -7.286036700E+04, -2.273319200E+00] ) ) # note = "J 6/72" ) species(name = "BF2+", atoms = " B:1 F:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.314647400E+00, 8.644365400E-03, -6.752539600E-06, 1.338366500E-09, 4.511491000E-13, 3.748364900E+04, 5.904689780E+00] ), NASA( [ 1000.00, 5000.00], [ 5.812763800E+00, 1.819342400E-03, -7.710345700E-07, 1.448978200E-10, -9.980915600E-15, 3.679480100E+04, -7.004311920E+00] ) ) # note = "J12/70" ) species(name = "BF2-", atoms = " B:1 F:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.142458100E+00, 6.410457900E-03, -1.238646100E-06, -4.122010000E-09, 2.347236700E-12, -9.767296400E+04, 9.225232320E+00] ), NASA( [ 1000.00, 5000.00], [ 5.310034800E+00, 2.002043900E-03, -9.723551000E-07, 2.164144300E-10, -1.664088100E-14, -9.833692800E+04, -2.327760780E+00] ) ) # note = "J 6/72" ) species(name = "BF3", atoms = " B:1 F:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.446824400E+00, 1.527631200E-02, -1.078461700E-05, 6.890750200E-10, 1.489318700E-12, -1.379013500E+05, 1.256782110E+01] ), NASA( [ 1000.00, 5000.00], [ 7.024198500E+00, 3.222155900E-03, -1.370515400E-06, 2.591967100E-10, -1.812231000E-14, -1.391807200E+05, -1.118430090E+01] ) ) # note = "J 6/69" ) species(name = "BH", atoms = " B:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.686220600E+00, -1.305543500E-03, 2.674210500E-06, -9.107373800E-10, -1.559113600E-13, 5.217633000E+04, -5.524540120E-02] ), NASA( [ 1000.00, 5000.00], [ 2.891907900E+00, 1.583294600E-03, -5.826172900E-07, 1.024206800E-10, -6.766956900E-15, 5.232871400E+04, 3.796243290E+00] ) ) # note = "J12/64" ) species(name = "BHF2", atoms = " B:1 H:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.405360200E+00, 9.275584400E-03, 1.338646100E-06, -8.680789500E-09, 4.121101500E-12, -8.938840900E+04, 1.288804410E+01] ), NASA( [ 1000.00, 5000.00], [ 5.318452700E+00, 4.744446600E-03, -1.933785800E-06, 3.550838200E-10, -2.429366700E-14, -9.037501200E+04, -3.043140310E+00] ) ) # note = "J12/65" ) species(name = "BH2", atoms = " B:1 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.395828200E+00, 7.477626000E-03, -7.201951400E-06, 4.582639800E-09, -1.251068000E-12, 2.316265000E+04, 6.076470390E+00] ), NASA( [ 1000.00, 5000.00], [ 3.362528500E+00, 3.901285400E-03, -1.509755100E-06, 2.667280500E-10, -1.771305300E-14, 2.291902800E+04, 1.259282590E+00] ) ) # note = "J12/64" ) species(name = "BH3", atoms = " B:1 H:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.948703300E+00, -5.217054300E-04, 7.648116400E-06, -4.614869400E-09, 5.631861600E-13, 1.161880900E+04, -4.551745790E-02] ), NASA( [ 1000.00, 5000.00], [ 2.062172600E+00, 7.265589500E-03, -2.751033700E-06, 4.780370900E-10, -3.133428500E-14, 1.192375300E+04, 8.849450830E+00] ) ) # note = "J12/64" ) species(name = "BN", atoms = " B:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.537506500E+00, -1.355658600E-03, 6.221418900E-06, -6.168326900E-09, 1.987246100E-12, 5.632974300E+04, 5.563176750E+00] ), NASA( [ 1000.00, 5000.00], [ 3.598183200E+00, 8.717680500E-04, -2.997264400E-07, 5.603694400E-11, -4.075042100E-15, 5.617124100E+04, 4.600225250E+00] ) ) # note = "J 6/66" ) species(name = "BO", atoms = " B:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.729725000E+00, -2.087832400E-03, 5.736284900E-06, -4.389482800E-09, 1.091663200E-12, -1.061885900E+03, 3.625541040E+00] ), NASA( [ 1000.00, 5000.00], [ 3.156495600E+00, 1.381658900E-03, -5.504963000E-07, 9.911667800E-11, -6.416454600E-15, -1.030342200E+03, 6.037489540E+00] ) ) # note = "J 6/68" ) species(name = "BOCL", atoms = " B:1 O:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.270532100E+00, 1.022775000E-02, -1.207016300E-05, 7.202556200E-09, -1.691473800E-12, -3.937820800E+04, 7.349302250E+00] ), NASA( [ 1000.00, 5000.00], [ 5.713556600E+00, 1.866468900E-03, -7.748789800E-07, 1.439857200E-10, -9.931774500E-15, -3.997735300E+04, -4.880403550E+00] ) ) # note = "J12/65" ) species(name = "BOF", atoms = " B:1 O:1 F:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.237037380E+00, 1.334954960E-02, -1.815306140E-05, 1.360936760E-08, -4.243823970E-12, -7.352837350E+04, 1.100694110E+01] ), NASA( [ 1000.00, 6000.00], [ 5.392966030E+00, 2.074445000E-03, -7.936005860E-07, 1.334765710E-10, -8.217793310E-15, -7.431138520E+04, -4.765005350E+00] ) ) # note = "J12/65" ) species(name = "BOF2", atoms = " B:1 O:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.744597700E+00, 1.869327700E-02, -1.524616400E-05, 2.655947000E-09, 1.379860600E-12, -1.018675800E+05, 1.735313900E+01] ), NASA( [ 1000.00, 5000.00], [ 7.307723300E+00, 2.990362000E-03, -1.305961700E-06, 2.530824200E-10, -1.768733300E-14, -1.033457600E+05, -1.119241600E+01] ) ) # note = "J12/66" ) species(name = "BO2", atoms = " B:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.121204800E+00, 8.468088300E-03, -4.597227800E-06, -1.642002100E-09, 1.665823300E-12, -3.548330700E+04, 7.547891630E+00] ), NASA( [ 1000.00, 5000.00], [ 5.819843400E+00, 1.862657400E-03, -8.130279700E-07, 1.573582100E-10, -1.094423800E-14, -3.625511700E+04, -6.560907970E+00] ) ) # note = "J 6/68" ) species(name = "BO2-", atoms = " B:1 O:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.491633700E+00, 9.747064400E-03, -8.764086400E-06, 3.580254400E-09, -4.061122100E-13, -8.464121800E+04, 9.226895700E+00] ), NASA( [ 1000.00, 5000.00], [ 4.880516900E+00, 2.674365100E-03, -1.093219400E-06, 2.008087300E-10, -1.371776900E-14, -8.528432400E+04, -3.009276400E+00] ) ) # note = "J12/68" ) species(name = "BS", atoms = " B:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.174204600E+00, 9.854497200E-04, 2.771131900E-06, -4.375180100E-09, 1.761617900E-12, 2.823062400E+04, 7.533862400E+00] ), NASA( [ 1000.00, 5000.00], [ 3.706854200E+00, 9.868289500E-04, -4.749526600E-07, 1.065460100E-10, -8.051964300E-15, 2.801281600E+04, 4.424620900E+00] ) ) # note = "J 6/72" ) species(name = "B2", atoms = " B:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.790997440E+00, -5.875363590E-03, 3.005141620E-05, -3.914391730E-08, 1.604194280E-11, 9.872299980E+04, 3.434632030E+00] ), NASA( [ 1000.00, 6000.00], [ 5.238691550E+00, -5.236075070E-04, 1.697049780E-07, -2.065490420E-11, 9.414359250E-16, 9.798738280E+04, -6.007422170E+00] ) ) # note = "J 3/79" ) species(name = "B2O", atoms = " B:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.529473000E+00, 3.199382600E-03, 3.032925700E-06, -5.749125500E-09, 2.284734900E-12, 1.036320100E+04, 6.239631430E+00] ), NASA( [ 1000.00, 5000.00], [ 4.730053800E+00, 2.394148600E-03, -1.000832400E-06, 1.869751000E-10, -1.295367200E-14, 9.885335400E+03, -6.358512890E-01] ) ) # note = "J 6/66" ) species(name = "B2O2", atoms = " B:2 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.680707800E+00, 1.536113200E-02, -1.860609700E-05, 1.217145100E-08, -3.241101800E-12, -5.648664700E+04, 4.356127340E+00] ), NASA( [ 1000.00, 5000.00], [ 6.993857400E+00, 3.594039300E-03, -1.475361100E-06, 2.722512400E-10, -1.869599600E-14, -5.729617800E+04, -1.216777710E+01] ) ) # note = "J12/64" ) species(name = "B2O3", atoms = " B:2 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.660883700E+00, 2.026207600E-02, -2.194733800E-05, 1.225300400E-08, -2.703840200E-12, -1.023652400E+05, 8.106220680E+00] ), NASA( [ 1000.00, 5000.00], [ 8.399410600E+00, 4.743633800E-03, -1.955230400E-06, 3.618774900E-10, -2.490723200E-14, -1.035715800E+05, -1.581000090E+01] ) ) # note = "J 6/71" ) species(name = "B3O3CL3", atoms = " B:3 O:3 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.044498300E+00, 5.426059700E-02, -5.575076100E-05, 2.222312800E-08, -1.418129500E-12, -1.994163200E+05, 9.056722550E+00] ), NASA( [ 1000.00, 5000.00], [ 1.928256400E+01, 6.317258100E-03, -2.724292600E-06, 5.204791000E-10, -3.667779000E-14, -2.032088300E+05, -6.788515210E+01] ) ) # note = "J 3/65" ) species(name = "B3O3F3", atoms = " B:3 O:3 F:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.079886100E+00, 4.563659200E-02, -3.309882600E-05, 2.553883900E-09, 4.435876100E-12, -2.871221300E+05, 1.147539170E+01] ), NASA( [ 1000.00, 5000.00], [ 1.685861600E+01, 8.868575400E-03, -3.788105800E-06, 7.187040100E-10, -5.037691700E-14, -2.909310400E+05, -5.985875230E+01] ) ) # note = "J 3/65" ) species(name = "B3O3H3", atoms = " B:3 O:3 H:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.769890780E+00, 2.534259000E-02, 1.224867010E-05, -3.730576110E-08, 1.745568970E-11, -1.484310260E+05, 1.152180190E+01] ), NASA( [ 1000.00, 6000.00], [ 1.212012120E+01, 1.228112090E-02, -4.609224870E-06, 7.658245420E-10, -4.676237930E-14, -1.516486290E+05, -3.989180070E+01] ) ) # note = "J 3/65" ) species(name = "Ba", atoms = " Ba:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.503877700E+00, -3.780391400E-05, 1.291496600E-07, -1.840040900E-10, 9.293482900E-14, 2.079254400E+04, 6.216742220E+00] ), NASA( [ 1000.00, 5000.00], [ 7.973054500E+00, -1.116121500E-02, 7.117214700E-06, -1.533667300E-09, 1.087670000E-13, 1.888996600E+04, -2.348768480E+01] ) ) # note = "J12/70" ) species(name = "BaBr", atoms = " Ba:1 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.171455300E+00, 1.596081300E-03, -2.888654200E-06, 2.476714700E-09, -7.983070000E-13, -1.459449500E+04, 8.386206770E+00] ), NASA( [ 1000.00, 5000.00], [ 4.368977400E+00, 3.907588700E-04, -2.990174900E-07, 1.064130100E-10, -9.841604900E-15, -1.461768500E+04, 7.525260870E+00] ) ) # note = "J12/74" ) species(name = "BaBr2", atoms = " Ba:1 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.340527500E+00, 3.056195200E-03, -5.728586400E-06, 4.887596800E-09, -1.568808100E-12, -5.306231600E+04, 4.319437150E+00] ), NASA( [ 1000.00, 5000.00], [ 6.950233800E+00, 5.806602300E-05, -2.619542800E-08, 5.199282800E-12, -3.785277000E-16, -5.316684200E+04, 1.490027550E+00] ) ) # note = "J12/74" ) species(name = "BaCL", atoms = " Ba:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.978114800E+00, 2.180321800E-03, -3.434256500E-06, 2.518221200E-09, -6.905802700E-13, -1.836693700E+04, 7.924261040E+00] ), NASA( [ 1000.00, 5000.00], [ 4.667523800E+00, -2.218725100E-04, 8.127068000E-08, 3.021696200E-11, -5.318330100E-15, -1.854214200E+04, 4.464442040E+00] ) ) # note = "J12/72" ) species(name = "BaCL2", atoms = " Ba:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.057123800E+00, 3.842614900E-03, -6.268320500E-06, 4.619666500E-09, -1.274476800E-12, -6.191453600E+04, 3.761791660E+00] ), NASA( [ 1000.00, 5000.00], [ 6.913863700E+00, 9.821396300E-05, -4.326834800E-08, 8.396900600E-12, -5.989208500E-16, -6.207605100E+04, -3.058630750E-01] ) ) # note = "J12/72" ) species(name = "BaF", atoms = " Ba:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.353750600E+00, 4.381958000E-03, -6.640592900E-06, 4.614322900E-09, -1.197151800E-12, -3.989295600E+04, 9.457589260E+00] ), NASA( [ 1000.00, 5000.00], [ 4.358712500E+00, 3.011073800E-04, -2.286331500E-07, 8.986555400E-11, -8.765759500E-15, -4.010137600E+04, 4.601485460E+00] ) ) # note = "J12/72" ) species(name = "BaF+", atoms = " Ba:1 F:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.161746400E+00, 4.887607900E-03, -7.121988200E-06, 4.714497100E-09, -1.145898300E-12, 1.696046400E+04, 9.546232910E+00] ), NASA( [ 1000.00, 5000.00], [ 6.494556500E+00, -4.113005600E-03, 2.588280800E-06, -5.045869800E-10, 3.071956000E-14, 1.596065100E+04, -7.884984490E+00] ) ) # note = "J12/72" ) species(name = "BaF2", atoms = " Ba:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.096823900E+00, 7.422625000E-03, -1.168283300E-05, 8.329621800E-09, -2.221685600E-12, -9.843159500E+04, 5.436920860E+00] ), NASA( [ 1000.00, 5000.00], [ 6.797715900E+00, 2.293219600E-04, -1.005352100E-07, 1.942856600E-11, -1.380750700E-15, -9.876311400E+04, -2.695283240E+00] ) ) # note = "J12/72" ) species(name = "BaOH", atoms = " Ba:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.668183100E+00, 1.688397600E-02, -3.103177700E-05, 2.642104800E-08, -8.395358800E-12, -2.855466800E+04, 1.134340920E+01] ), NASA( [ 1000.00, 5000.00], [ 5.517846800E+00, 1.478090300E-03, -5.782330700E-07, 1.404022200E-10, -1.203576500E-14, -2.895907400E+04, -1.497872880E+00] ) ) # note = "J12/75" ) species(name = "BaOH+", atoms = " Ba:1 O:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.709049000E+00, 1.672652500E-02, -3.076792700E-05, 2.621044800E-08, -8.330383900E-12, 3.125507900E+04, 1.047079090E+01] ), NASA( [ 1000.00, 5000.00], [ 5.512601900E+00, 1.401384000E-03, -4.235021600E-07, 6.057836300E-11, -3.351965300E-15, 3.087134900E+04, -2.107673000E+00] ) ) # note = "J 6/76" ) species(name = "BaO2H2", atoms = " Ba:1 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.790935600E+00, 3.207544900E-02, -5.935080600E-05, 5.077638500E-08, -1.618113100E-11, -7.748355800E+04, 8.948693230E+00] ), NASA( [ 1000.00, 5000.00], [ 9.082473500E+00, 2.736831100E-03, -8.175367800E-07, 1.153488400E-10, -6.283375600E-15, -7.818658600E+04, -1.468867160E+01] ) ) # note = "J12/75" ) species(name = "BaS", atoms = " Ba:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.481617100E+00, 4.565813500E-03, -8.272641000E-06, 6.937259400E-09, -2.200024300E-12, 3.363648800E+03, 9.044225060E+00] ), NASA( [ 1000.00, 5000.00], [ 4.440258700E+00, 7.426939800E-04, -1.179568100E-06, 5.761863800E-10, -6.754632400E-14, 3.115982000E+03, 4.285984360E+00] ) ) # note = "J 9/77" ) species(name = "Be", atoms = " Be:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 3.822264600E+04, 2.146173160E+00] ), NASA( [ 1000.00, 6000.00], [ 2.294385660E+00, 4.116698410E-04, -2.647308320E-07, 6.256813880E-11, -3.892810070E-15, 3.829580550E+04, 3.267319420E+00] ) ) # note = "J 9/83" ) species(name = "Be+", atoms = " Be:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.458936930E+05, 2.839229270E+00] ), NASA( [ 1000.00, 6000.00], [ 2.501689760E+00, -5.103736470E-06, 5.274810900E-09, -2.161550490E-12, 3.007130260E-16, 1.458932770E+05, 2.830668470E+00] ) ) # note = "J 9/83" ) species(name = "BeBO2", atoms = " Be:1 B:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.006912000E+00, 1.804482400E-02, -1.691758100E-05, 6.086537300E-09, -1.727628500E-13, -5.923419700E+04, 1.580555710E+01] ), NASA( [ 1000.00, 5000.00], [ 6.910837600E+00, 3.266868400E-03, -1.367812000E-06, 2.557621100E-10, -1.772774100E-14, -6.050571500E+04, -9.161658050E+00] ) ) # note = "J 6/66" ) species(name = "BeBr", atoms = " Be:1 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.659145700E+00, 6.702727800E-03, -1.040371100E-05, 7.765519400E-09, -2.253091800E-12, 1.343309600E+04, 1.073565200E+01] ), NASA( [ 1000.00, 5000.00], [ 4.194388700E+00, 3.993902300E-04, -1.483887300E-07, 2.676227200E-11, -1.562612700E-15, 1.311546400E+04, 3.322948450E+00] ) ) # note = "J 6/75" ) species(name = "BeBr2", atoms = " Be:1 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.642228300E+00, 9.008445100E-03, -1.269855600E-05, 8.755898500E-09, -2.392319400E-12, -2.926543500E+04, 4.300119330E+00] ), NASA( [ 1000.00, 5000.00], [ 6.834487200E+00, 7.542928700E-04, -3.336820600E-07, 6.530234900E-11, -4.704109600E-15, -2.975711700E+04, -6.471791870E+00] ) ) # note = "J 6/75" ) species(name = "BeCL", atoms = " Be:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.832198700E+00, 4.456676400E-03, -4.448216100E-06, 1.585258700E-09, 4.520689400E-15, 6.290624800E+03, 8.891560510E+00] ), NASA( [ 1000.00, 5000.00], [ 4.105287800E+00, 4.746170100E-04, -1.799652800E-07, 3.256390300E-11, -2.065284000E-15, 5.975306000E+03, 2.464517410E+00] ) ) # note = "J 9/66" ) species(name = "BeCL+", atoms = " Be:1 Cl:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.896598400E+00, 5.126749200E-03, -6.442791100E-06, 3.563264000E-09, -6.592508800E-13, 1.167146600E+05, 7.837270450E+00] ), NASA( [ 1000.00, 5000.00], [ 5.382750000E+00, -1.847119800E-03, 1.112368300E-06, -1.695299400E-10, 6.100709100E-15, 1.159971700E+05, -5.062241350E+00] ) ) # note = "J 6/68" ) species(name = "BeCLF", atoms = " Be:1 Cl:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.102438100E+00, 8.501749000E-03, -8.909396300E-06, 4.007623200E-09, -5.162753900E-13, -7.046873600E+04, 4.099162810E+00] ), NASA( [ 1000.00, 5000.00], [ 6.440279100E+00, 1.146369300E-03, -4.854536000E-07, 9.128786500E-11, -6.344354900E-15, -7.105977100E+04, -7.728699690E+00] ) ) # note = "J 6/65" ) species(name = "BeCL2", atoms = " Be:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.492712500E+00, 8.053554500E-03, -8.831923900E-06, 4.089704900E-09, -5.349809200E-13, -4.495288100E+04, 2.695821410E+00] ), NASA( [ 1000.00, 5000.00], [ 6.704319100E+00, 8.716646800E-04, -3.725505300E-07, 7.056700600E-11, -4.933536000E-15, -4.549455800E+04, -8.422012290E+00] ) ) # note = "J 6/65" ) species(name = "BeF", atoms = " Be:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.276186200E+00, 2.523375900E-04, 4.093994400E-06, -5.312815000E-09, 1.995490000E-12, -2.144592400E+04, 5.864996510E+00] ), NASA( [ 1000.00, 5000.00], [ 3.709529500E+00, 8.938360000E-04, -3.611306800E-07, 6.760109200E-11, -4.642083300E-15, -2.166005200E+04, 3.164192410E+00] ) ) # note = "J12/71" ) species(name = "BeF2", atoms = " Be:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.523427400E+00, 9.389028400E-03, -9.563620800E-06, 4.292098900E-09, -5.775111300E-13, -9.713046100E+04, 4.883975390E+00] ), NASA( [ 1000.00, 5000.00], [ 6.045763100E+00, 1.562937400E-03, -6.610819700E-07, 1.244755100E-10, -8.671606300E-15, -9.777912700E+04, -7.917882610E+00] ) ) # note = "J 6/70" ) species(name = "BeH", atoms = " Be:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.731230500E+00, -1.914354800E-03, 4.891032500E-06, -3.292588300E-09, 6.663856200E-13, 3.756556000E+04, 3.886085230E-01] ), NASA( [ 1000.00, 5000.00], [ 3.057021800E+00, 1.497722300E-03, -5.687296300E-07, 1.026081700E-10, -6.916697900E-15, 3.763951300E+04, 3.400274780E+00] ) ) # note = "J 3/63" ) species(name = "BeH+", atoms = " Be:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.709571200E+00, -1.585203100E-03, 3.622876900E-06, -1.893322100E-09, 1.717326400E-13, 1.380286600E+05, -2.828964080E-01] ), NASA( [ 1000.00, 5000.00], [ 2.901599200E+00, 1.675176100E-03, -6.680550300E-07, 1.251095100E-10, -8.174146600E-15, 1.381681200E+05, 3.555629160E+00] ) ) # note = "J 9/66" ) species(name = "BeI", atoms = " Be:1 I:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.782612200E+00, 6.841034800E-03, -1.138989600E-05, 8.992412800E-09, -2.727768600E-12, 1.939618300E+04, 1.107893670E+01] ), NASA( [ 1000.00, 5000.00], [ 4.260049300E+00, 3.432081900E-04, -1.275947700E-07, 2.418970900E-11, -1.457014200E-15, 1.911035200E+04, 4.047667700E+00] ) ) # note = "J12/75" ) species(name = "BeI2", atoms = " Be:1 I:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.937378600E+00, 8.740473700E-03, -1.311472400E-05, 9.492849400E-09, -2.692633600E-12, -9.461600500E+03, 4.829511370E+00] ), NASA( [ 1000.00, 5000.00], [ 7.001126200E+00, 5.687887200E-04, -2.525375500E-07, 4.954105400E-11, -3.574720400E-15, -9.903885900E+03, -5.210255230E+00] ) ) # note = "J12/75" ) species(name = "BeN", atoms = " Be:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.168428600E+00, 1.028248300E-03, 2.737601700E-06, -4.348109900E-09, 1.753445300E-12, 5.031045100E+04, 6.662524960E+00] ), NASA( [ 1000.00, 5000.00], [ 3.785593700E+00, 8.238657500E-04, -3.271160200E-07, 6.155188800E-11, -4.280904100E-15, 5.006618000E+04, 3.105585260E+00] ) ) # note = "J 6/63" ) species(name = "BeO", atoms = " Be:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.789742480E+00, -3.248962260E-03, 1.129885330E-05, -1.180563150E-08, 4.206757610E-12, 1.534106960E+04, 2.739053060E+00] ), NASA( [ 1000.00, 6000.00], [ 5.667784730E+00, -4.078476140E-03, 3.411126080E-06, -8.210523710E-10, 6.137732790E-14, 1.458995800E+04, -8.085807000E+00] ) ) # note = "J12/74" ) species(name = "BeOH", atoms = " Be:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.913914800E+00, 1.350715900E-02, -1.853168700E-05, 1.294247100E-08, -3.543896100E-12, -1.481968300E+04, 1.099283050E+01] ), NASA( [ 1000.00, 5000.00], [ 4.611672000E+00, 2.397201300E-03, -8.548916200E-07, 1.430906200E-10, -9.111239900E-15, -1.536183800E+04, -1.988292070E+00] ) ) # note = "J12/75" ) species(name = "BeOH+", atoms = " Be:1 O:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.928098200E+00, 1.353424000E-02, -1.865402600E-05, 1.307392100E-08, -3.590057600E-12, 9.036830500E+04, 1.022572700E+01] ), NASA( [ 1000.00, 5000.00], [ 4.622352700E+00, 2.390257100E-03, -8.554947300E-07, 1.444167100E-10, -9.356029400E-15, 8.982943600E+04, -2.726146610E+00] ) ) # note = "J12/75" ) species(name = "BeO2H2", atoms = " Be:1 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.418439300E-01, 3.991356800E-02, -6.458828100E-05, 5.102347600E-08, -1.547920500E-11, -8.274104500E+04, 1.731362600E+01] ), NASA( [ 1000.00, 5000.00], [ 7.855047800E+00, 4.647758000E-03, -1.650283400E-06, 2.767062300E-10, -1.782629800E-14, -8.410625900E+04, -1.842946600E+01] ) ) # note = "J12/75" ) species(name = "BeS", atoms = " Be:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.902253800E+00, 3.189741300E-03, -1.365182500E-06, -1.509271000E-09, 1.227592900E-12, 3.071076000E+04, 7.875850640E+00] ), NASA( [ 1000.00, 5000.00], [ 5.204073400E+00, -3.874202200E-03, 4.257889100E-06, -1.256059900E-09, 1.134340300E-13, 3.022608400E+04, -3.578011960E+00] ) ) # note = "J 9/77" ) species(name = "Be2O", atoms = " Be:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.752789700E+00, 8.964869900E-03, -5.585924700E-06, -3.476918800E-10, 1.101547200E-12, -8.717470900E+03, 8.451918950E+00] ), NASA( [ 1000.00, 5000.00], [ 5.454973400E+00, 2.197038500E-03, -9.291957800E-07, 1.749641000E-10, -1.218998200E-14, -9.495898500E+03, -5.670422650E+00] ) ) # note = "J 9/63" ) species(name = "Be2OF2", atoms = " Be:2 O:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.860002600E+00, 1.943898200E-02, -1.881876000E-05, 7.100950300E-09, -3.722525800E-13, -1.470395900E+05, 3.241733410E+00] ), NASA( [ 1000.00, 5000.00], [ 1.031134300E+01, 2.925815100E-03, -1.248198700E-06, 2.365216900E-10, -1.655916000E-14, -1.484462300E+05, -2.448768300E+01] ) ) # note = "J 6/66" ) species(name = "Be2O2", atoms = " Be:2 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.710273900E+00, 1.824493900E-02, -1.437725300E-05, 2.126881600E-09, 1.469199300E-12, -5.051236600E+04, 1.521451020E+01] ), NASA( [ 1000.00, 5000.00], [ 7.178365200E+00, 3.079692600E-03, -1.316227300E-06, 2.497061400E-10, -1.749633900E-14, -5.198487600E+04, -1.292559480E+01] ) ) # note = "J 9/63" ) species(name = "Be3O3", atoms = " Be:3 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.000269200E+00, 2.000517200E-02, 5.751784700E-07, -1.709280500E-08, 8.486278500E-12, -1.282686700E+05, 1.562095300E+01] ), NASA( [ 1000.00, 5000.00], [ 9.190732200E+00, 7.362370100E-03, -3.129272900E-06, 5.916258900E-10, -4.136019400E-14, -1.306184900E+05, -2.331688000E+01] ) ) # note = "J 9/63" ) species(name = "Be4O4", atoms = " Be:4 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ -1.381843800E+00, 5.238482800E-02, -4.089301800E-05, 4.737970700E-09, 4.995416400E-12, -1.927835600E+05, 3.041306610E+01] ), NASA( [ 1000.00, 5000.00], [ 1.454703000E+01, 8.190373000E-03, -3.516278900E-06, 6.692345700E-10, -4.700596300E-14, -1.970484500E+05, -5.149676590E+01] ) ) # note = "J 9/63" ) species(name = "Br", atoms = " Br:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.485717110E+00, 1.506475250E-04, -5.372673330E-07, 7.209210650E-10, -2.502055580E-13, 1.270921680E+04, 6.860308040E+00] ), NASA( [ 1000.00, 6000.00], [ 2.088510530E+00, 7.121186110E-04, -2.700030730E-07, 4.149862990E-11, -2.311882940E-15, 1.285687670E+04, 9.073511440E+00] ) ) # note = "J 6/82" ) species(name = "Br2", atoms = " Br:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.343310040E+00, 6.352307690E-03, -1.364188150E-05, 1.317263000E-08, -4.683734760E-12, 2.535154080E+03, 9.079403530E+00] ), NASA( [ 1000.00, 6000.00], [ 5.187281870E+00, -1.386511040E-03, 9.347451530E-07, -2.070653910E-10, 1.418085170E-14, 2.107056780E+03, 7.762233940E-02] ) ) # note = "TPIS89" ) species(name = "C", atoms = " C:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10, 2.665214460E-13, 8.544388320E+04, 4.531308480E+00] ), NASA( [ 1000.00, 6000.00], [ 2.605582980E+00, -1.959343350E-04, 1.067372190E-07, -1.642393900E-11, 8.187057520E-16, 8.541294430E+04, 4.192386810E+00] ) ) # note = "L11/88" ) species(name = "C+", atoms = " C:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.615239660E+00, -5.537838730E-04, 1.063486360E-06, -9.237563450E-10, 3.007745680E-13, 2.168620530E+05, 3.826529440E+00] ), NASA( [ 1000.00, 6000.00], [ 2.508535190E+00, -1.085992700E-05, 5.370692100E-09, -1.182705960E-12, 9.712675640E-17, 2.168794930E+05, 4.317396550E+00] ) ) # note = "L 7/88" ) species(name = "C-", atoms = " C:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 6.993156540E+04, 3.963404030E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 6.993156540E+04, 3.963404030E+00] ) ) # note = "TPIS91" ) species(name = "CCL", atoms = " C:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.195355700E+00, 2.807631800E-03, -1.604384500E-06, -5.774406500E-10, 6.140973200E-13, 5.932507700E+04, 8.035173210E+00] ), NASA( [ 1000.00, 5000.00], [ 4.098472700E+00, 5.007784500E-04, -2.001283300E-07, 3.868099200E-11, -2.544111300E-15, 5.907659900E+04, 3.350173610E+00] ) ) # note = "J12/69" ) species(name = "CCLF3", atoms = " C:1 Cl:1 F:3 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.901193600E+00, 2.056365800E-02, -8.550863600E-06, -1.039564500E-08, 7.572182500E-12, -8.682956300E+04, 1.211506670E+01] ), NASA( [ 1000.00, 5000.00], [ 1.016509600E+01, 2.846004200E-03, -1.092602400E-06, 1.831437400E-10, -1.119405900E-14, -8.884875000E+04, -2.570411130E+01] ) ) # note = "L12/77" ) species(name = "CCL2", atoms = " C:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.858850500E+00, 1.395793800E-02, -2.003889800E-05, 1.350072600E-08, -3.166971500E-12, 2.736392600E+04, 1.224331310E+01] ), NASA( [ 1000.00, 5000.00], [ 3.718499900E+00, 5.344974500E-03, -2.343128400E-06, 4.180617700E-10, -2.676529500E-14, 2.755479300E+04, 9.645979540E+00] ) ) # note = "J12/68" ) species(name = "CCL2F2", atoms = " C:1 Cl:2 F:2 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.813496600E+00, 2.003683500E-02, -9.898669300E-06, -8.799535300E-09, 7.121855200E-12, -6.125355100E+04, 8.990971100E+00] ), NASA( [ 1000.00, 5000.00], [ 1.070824800E+01, 2.323218600E-03, -9.007322300E-07, 1.526170200E-10, -9.443495800E-15, -6.310260200E+04, -2.662287650E+01] ) ) # note = "L12/77" ) species(name = "CCL3", atoms = " C:1 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.715335700E+00, 1.944379600E-02, -2.462784100E-05, 1.378646400E-08, -2.663893400E-12, 7.782002000E+03, 9.716042590E+00] ), NASA( [ 1000.00, 5000.00], [ 8.781547300E+00, 1.351613000E-03, -5.824945300E-07, 1.109869700E-10, -7.793726400E-15, 6.634415100E+03, -1.531613240E+01] ) ) # note = "J 6/70" ) species(name = "CCL3F", atoms = " C:1 Cl:3 F:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 4.828768700E+00, 1.898174000E-02, -1.036066200E-05, -7.847212700E-09, 6.845275200E-12, -3.644618400E+04, 4.634137300E+00] ), NASA( [ 1000.00, 5000.00], [ 1.124653000E+01, 1.783769800E-03, -6.926044300E-07, 1.174072400E-10, -7.264029200E-15, -3.810830900E+04, -2.827598580E+01] ) ) # note = "L12/77" ) species(name = "CCL4", atoms = " C:1 Cl:4 ", thermo = ( NASA( [ 298.15, 1000.00], [ 5.796629900E+00, 1.797743900E-02, -1.095654600E-05, -6.668180700E-09, 6.455489800E-12, -1.394096500E+04, -5.569596350E-01] ), NASA( [ 1000.00, 5000.00], [ 1.173909600E+01, 1.283755300E-03, -4.965025900E-07, 8.352502000E-11, -5.110722400E-15, -1.541909000E+04, -3.077781870E+01] ) ) # note = "L12/81" ) species(name = "CF", atoms = " C:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.465514300E+00, -6.877980500E-04, 5.678476600E-06, -6.458298200E-09, 2.298824800E-12, 2.965559800E+04, 5.881354890E+00] ), NASA( [ 1000.00, 5000.00], [ 3.686967900E+00, 9.114349100E-04, -3.646385500E-07, 6.748285400E-11, -4.526959600E-15, 2.947812500E+04, 4.174510090E+00] ) ) # note = "J 6/70" ) species(name = "CF+", atoms = " C:1 F:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.582850950E+00, -1.863909300E-03, 8.534353410E-06, -9.323780620E-09, 3.339417130E-12, 1.371982480E+05, 4.074390000E+00] ), NASA( [ 1000.00, 6000.00], [ 3.675960840E+00, 8.528230730E-04, -3.067556610E-07, 4.974300570E-11, -2.839690380E-15, 1.370188780E+05, 2.846088130E+00] ) ) # note = "J12/70" ) species(name = "CF2", atoms = " C:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.768882100E+00, 7.237296200E-03, -1.602815200E-06, -4.551237900E-09, 2.664801100E-12, -2.301578600E+04, 1.113769580E+01] ), NASA( [ 1000.00, 5000.00], [ 5.226714200E+00, 2.083768000E-03, -9.903727800E-07, 2.126484800E-10, -1.583111400E-14, -2.375584700E+04, -1.910904230E+00] ) ) # note = "J 6/70" ) species(name = "CF2+", atoms = " C:1 F:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.978352200E+00, 6.033660200E-03, 6.585878500E-10, -5.212944900E-09, 2.666302100E-12, 1.121267500E+05, 1.095155630E+01] ), NASA( [ 1000.00, 5000.00], [ 5.155423000E+00, 2.052831000E-03, -9.117391100E-07, 1.827276100E-10, -1.321364000E-14, 1.114312200E+05, -7.787668410E-01] ) ) # note = "J12/70" ) species(name = "CF3", atoms = " C:1 F:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.065016800E+00, 1.642415800E-02, -1.083814600E-05, -8.531799700E-10, 2.387807000E-12, -5.781197600E+04, 1.570469300E+01] ), NASA( [ 1000.00, 5000.00], [ 7.201262200E+00, 3.066393500E-03, -1.314418100E-06, 2.499692500E-10, -1.755092800E-14, -5.923863100E+04, -1.094571000E+01] ) ) # note = "J 6/69" ) species(name = "CF3+", atoms = " C:1 F:3 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.260557600E+00, 1.542232300E-02, -9.895667400E-06, -7.834504600E-10, 2.121189200E-12, 4.936533800E+04, 1.357845510E+01] ), NASA( [ 1000.00, 5000.00], [ 7.022540600E+00, 3.244127100E-03, -1.386487500E-06, 2.632363700E-10, -1.846440200E-14, 4.802231800E+04, -1.120653390E+01] ) ) # note = "J12/71" ) species(name = "CF4", atoms = " C:1 F:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.051439920E+00, 2.782464680E-02, -2.465252600E-05, 6.745483040E-09, 9.189093160E-13, -1.135740670E+05, 1.819008990E+01] ), NASA( [ 1000.00, 6000.00], [ 9.472153590E+00, 3.595252160E-03, -1.403785020E-06, 2.391881880E-10, -1.485589060E-14, -1.158163370E+05, -2.497090910E+01] ) ) # note = "L 6/83" ) species(name = "CH", atoms = " C:1 H:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09, -1.406090670E-12, 7.079729340E+04, 2.084011080E+00] ), NASA( [ 1000.00, 6000.00], [ 2.520906270E+00, 1.765372350E-03, -4.614757050E-07, 5.928854720E-11, -3.347319620E-15, 7.113143630E+04, 7.405321630E+00] ) ) # note = "TPIS79" ) species(name = "CH+", atoms = " C:1 H:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.537965520E+00, -7.592601940E-05, -6.095667080E-07, 2.008195220E-09, -1.008068210E-12, 1.950572290E+05, 5.232378380E-01] ), NASA( [ 1000.00, 6000.00], [ 4.537266930E+00, -2.051654030E-03, 1.695871700E-06, -3.510977090E-10, 2.221291970E-14, 1.946610790E+05, -5.027822240E+00] ) ) # note = "TPIS91" ) species(name = "CHCL", atoms = " C:1 H:1 Cl:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.961361100E+00, 6.115191600E-03, -4.520318000E-06, 1.309338900E-09, 7.157808600E-14, 3.595998300E+04, 9.743495840E+00] ), NASA( [ 1000.00, 5000.00], [ 5.156603600E+00, 4.588832500E-04, 4.474902300E-07, -1.360678700E-10, 1.024244500E-14, 3.531057700E+04, -1.751161460E+00] ) ) # note = "TPIS79" ) species(name = "CHCLF2", atoms = " C:1 H:1 Cl:1 F:2 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.468112000E+00, 1.588394500E-02, -2.820901500E-06, -1.047813200E-08, 6.070489600E-12, -5.957087900E+04, 1.519342340E+01] ), NASA( [ 1000.00, 5000.00], [ 7.902982700E+00, 4.625190000E-03, -1.648986700E-06, 2.591042900E-10, -1.483621200E-14, -6.123426600E+04, -1.373429760E+01] ) ) # note = "L12/77" ) species(name = "CHCL2F", atoms = " C:1 H:1 Cl:2 F:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.110715900E+00, 1.629589100E-02, -4.733118700E-06, -9.479816000E-09, 6.132375000E-12, -3.586221100E+04, 1.296384990E+01] ), NASA( [ 1000.00, 5000.00], [ 8.508392300E+00, 4.034571300E-03, -1.426822600E-06, 2.224730300E-10, -1.263017300E-14, -3.742791000E+04, -1.541166210E+01] ) ) # note = "L12/77" ) species(name = "CHCL3", atoms = " C:1 H:1 Cl:3 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.681980100E+00, 1.661102100E-02, -6.618080100E-06, -8.129156000E-09, 5.943313500E-12, -1.414184400E+04, 9.983499580E+00] ), NASA( [ 1000.00, 5000.00], [ 8.993803000E+00, 3.565219200E-03, -1.253764800E-06, 1.947913100E-10, -1.103202100E-14, -1.560900000E+04, -1.763169980E+01] ) ) # note = "X 6/81" ) species(name = "CHF3", atoms = " C:1 H:1 F:3 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.785709400E+00, 1.596112900E-02, -1.557501500E-06, -1.136691100E-08, 6.127529000E-12, -8.459112500E+04, 1.645759080E+01] ), NASA( [ 1000.00, 5000.00], [ 7.387024900E+00, 5.126692400E-03, -1.837177500E-06, 2.900464300E-10, -1.669208900E-14, -8.636743800E+04, -1.361026120E+01] ) ) # note = "L 6/81" ) species(name = "CH2", atoms = " C:1 H:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.744848790E+00, 1.179608230E-03, 1.945022640E-06, -2.529325060E-09, 1.124476310E-12, 4.557995230E+04, 1.628501250E+00] ), NASA( [ 1000.00, 6000.00], [ 2.777231660E+00, 3.836634760E-03, -1.348532200E-06, 2.116412550E-10, -1.234456620E-14, 4.585903040E+04, 6.672864290E+00] ) ) # note = "L11/89" ) species(name = "CH2CLF", atoms = " C:1 H:2 Cl:1 F:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.097553300E+00, 1.255189600E-02, 2.714703600E-07, -9.131984100E-09, 4.471357300E-12, -3.297361700E+04, 1.616817230E+01] ), NASA( [ 1000.00, 5000.00], [ 5.957278300E+00, 6.087970000E-03, -2.081375900E-06, 3.134621500E-10, -1.708487800E-14, -3.428078100E+04, -4.879886260E+00] ) ) # note = "L12/77" ) species(name = "CH2CL2", atoms = " C:1 H:2 Cl:2 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.362612700E+00, 1.388553200E-02, -2.087216700E-06, -8.665615800E-09, 4.949431500E-12, -1.276123000E+04, 1.508490580E+01] ), NASA( [ 1000.00, 5000.00], [ 6.499128300E+00, 5.567234000E-03, -1.888744900E-06, 2.823339300E-10, -1.525686900E-14, -1.404881300E+04, -7.011561590E+00] ) ) # note = "L12/81" ) species(name = "CH2F2", atoms = " C:1 H:2 F:2 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.926407800E+00, 1.052909700E-02, 3.465991500E-06, -9.685599900E-09, 3.816532200E-12, -5.550539500E+04, 1.547693920E+01] ), NASA( [ 1000.00, 5000.00], [ 5.298311200E+00, 6.756801200E-03, -2.340155300E-06, 3.572238100E-10, -1.978998600E-14, -5.679921500E+04, -3.528511310E+00] ) ) # note = "L 6/81" ) species(name = "CH3", atoms = " C:1 H:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09, 2.543857340E-12, 1.644499880E+04, 1.604564330E+00] ), NASA( [ 1000.00, 6000.00], [ 2.968660330E+00, 5.807175460E-03, -1.977785340E-06, 3.072787520E-10, -1.788538970E-14, 1.653888690E+04, 4.779445030E+00] ) ) # note = "L11/89" ) species(name = "CH3CL", atoms = " C:1 H:3 Cl:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.067244500E+00, 9.209152300E-03, 3.042605400E-06, -8.034206200E-09, 3.212744300E-12, -1.089688300E+04, 1.358395170E+01] ), NASA( [ 1000.00, 5000.00], [ 4.295298600E+00, 7.284682200E-03, -2.416119100E-06, 3.520583800E-10, -1.840618500E-14, -1.179346500E+04, 8.592965290E-01] ) ) # note = "L12/81" ) species(name = "CH3F", atoms = " C:1 H:3 F:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.265102400E+00, 6.073385500E-03, 6.982541000E-06, -8.138091100E-09, 2.103634100E-12, -2.957766400E+04, 1.184395940E+01] ), NASA( [ 1000.00, 5000.00], [ 3.625652300E+00, 7.968369900E-03, -2.684531900E-06, 3.984110800E-10, -2.134863900E-14, -3.037248000E+04, 3.069903420E+00] ) ) # note = "L 6/81" ) species(name = "CH2OH", atoms = " C:1 H:3 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.863889180E+00, 5.596723040E-03, 5.932717910E-06, -1.045320120E-08, 4.369672780E-12, -2.505013670E+03, 5.473022430E+00] ), NASA( [ 1000.00, 6000.00], [ 4.676256390E+00, 6.564060140E-03, -2.265254710E-06, 3.556024810E-10, -2.086261900E-14, -2.892485740E+03, 4.877370050E-01] ) ) # note = "L12/92" ) species(name = "CH3O", atoms = " C:1 H:3 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.265248940E+00, 3.303001170E-03, 1.704939640E-05, -2.271044760E-08, 8.807565200E-12, 3.332814880E+02, 7.425680400E+00] ), NASA( [ 1000.00, 6000.00], [ 4.266765380E+00, 7.853801100E-03, -2.837399430E-06, 4.590396590E-10, -2.744260840E-14, -3.400732270E+02, 3.856374470E-01] ) ) # note = "L10/92" ) species(name = "CH4", atoms = " C:1 H:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08, 1.666939560E-11, -1.024664760E+04, -4.641303760E+00] ), NASA( [ 1000.00, 6000.00], [ 1.635526430E+00, 1.008427950E-02, -3.369162540E-06, 5.349586670E-10, -3.155188330E-14, -1.000564550E+04, 9.993133260E+00] ) ) # note = "L 8/88" ) species(name = "CH3OH", atoms = " C:1 H:4 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.715395820E+00, -1.523091290E-02, 6.524411550E-05, -7.108068890E-08, 2.613526980E-11, -2.564276560E+04, -1.504098230E+00] ), NASA( [ 1000.00, 6000.00], [ 3.601344860E+00, 1.024309540E-02, -3.599855170E-06, 5.725059860E-10, -3.391176400E-14, -2.599719100E+04, 4.705122530E+00] ) ) # note = "L 8/88" ) species(name = "CN", atoms = " C:1 N:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.612935020E+00, -9.555132750E-04, 2.144297650E-06, -3.151632700E-10, -4.643035460E-13, 5.190079580E+04, 3.980499470E+00] ), NASA( [ 1000.00, 6000.00], [ 3.748183330E+00, 3.917532710E-05, 2.997029960E-07, -6.927045320E-11, 4.461376910E-15, 5.172784190E+04, 2.774690440E+00] ) ) # note = "TPIS91" ) species(name = "CN+", atoms = " C:1 N:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 6.928085050E+00, -2.814921780E-02, 7.585113760E-05, -7.241743360E-08, 2.338915030E-11, 2.151955070E+05, -1.017305000E+01] ), NASA( [ 1000.00, 6000.00], [ 7.290067130E+00, -2.463311390E-03, 9.035993080E-07, -1.359705860E-10, 7.337098590E-15, 2.135790810E+05, -1.913403860E+01] ) ) # note = "TPIS91" ) species(name = "CN-", atoms = " C:1 N:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.819628460E+00, -2.482473160E-03, 6.045678380E-06, -4.527331940E-09, 1.156791670E-12, 6.802563360E+03, 2.389044030E+00] ), NASA( [ 1000.00, 6000.00], [ 3.090519280E+00, 1.331817590E-03, -4.849022660E-07, 7.968652280E-11, -4.827709160E-15, 6.881956650E+03, 5.631283430E+00] ) ) # note = "L10/92" ) species(name = "CNN", atoms = " C:1 N:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.782408490E+00, 1.255331100E-02, -2.130820260E-05, 1.909416370E-08, -6.592441870E-12, 7.495516510E+04, 9.106347360E+00] ), NASA( [ 1000.00, 6000.00], [ 4.866580840E+00, 2.384996120E-03, -8.525778320E-07, 1.384238530E-10, -8.184231160E-15, 7.455869200E+04, -6.775871460E-01] ) ) # note = "L12/89" ) species(name = "CO", atoms = " C:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10, -9.044244990E-13, -1.434408600E+04, 3.508409280E+00] ), NASA( [ 1000.00, 6000.00], [ 3.048485830E+00, 1.351728180E-03, -4.857940750E-07, 7.885364860E-11, -4.698074890E-15, -1.426611710E+04, 6.017097900E+00] ) ) # note = "TPIS79" ) species(name = "CO+", atoms = " C:1 O:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.770571070E+00, -2.017708200E-03, 4.610761940E-06, -2.991718660E-09, 6.060577600E-13, 1.490042670E+05, 3.381257240E+00] ), NASA( [ 1000.00, 6000.00], [ 2.930594070E+00, 1.560313910E-03, -6.162389690E-07, 1.099560190E-10, -6.661113070E-15, 1.491446920E+05, 7.338379280E+00] ) ) # note = "TPIS91" ) species(name = "COCL", atoms = " C:1 O:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.286379200E+00, 5.086898000E-03, -5.072941100E-06, 2.964798300E-09, -7.709345300E-13, -9.012521200E+03, 6.251186700E+00] ), NASA( [ 1000.00, 5000.00], [ 5.429123600E+00, 1.612153500E-03, -6.600628000E-07, 1.212711400E-10, -8.285860100E-15, -9.330500700E+03, 3.828740560E-01] ) ) # note = "J12/65" ) species(name = "COCLF", atoms = " C:1 O:1 Cl:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.706666100E+00, 2.272256500E-02, -3.011563900E-05, 2.048356600E-08, -5.657222800E-12, -5.261990200E+04, 1.798762570E+01] ), NASA( [ 1000.00, 5000.00], [ 7.088108100E+00, 3.181647900E-03, -1.376331600E-06, 2.654400500E-10, -1.892896900E-14, -5.388378100E+04, -8.684993550E+00] ) ) # note = "J 6/61" ) species(name = "COCL2", atoms = " C:1 O:1 Cl:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.707879100E+00, 2.893694640E-02, -4.932891160E-05, 4.169101390E-08, -1.370573910E-11, -2.783509320E+04, 1.762021140E+01] ), NASA( [ 1000.00, 6000.00], [ 7.860183780E+00, 2.132715000E-03, -8.220771580E-07, 1.389511330E-10, -8.584066530E-15, -2.910564230E+04, -1.190119070E+01] ) ) # note = "TPIS91" ) species(name = "COF", atoms = " C:1 O:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.201972700E+00, 5.583777000E-03, -1.490548100E-06, -2.312606900E-09, 1.361435300E-12, -2.181704300E+04, 1.006073920E+01] ), NASA( [ 1000.00, 5000.00], [ 4.890821400E+00, 2.217970300E-03, -9.255072500E-07, 1.727012000E-10, -1.195534300E-14, -2.235798400E+04, 9.927840610E-01] ) ) # note = "J12/65" ) species(name = "COF2", atoms = " C:1 O:1 F:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.129794890E+00, 1.410197230E-02, -5.943813590E-06, -5.305447900E-09, 3.973674690E-12, -7.817453390E+04, 1.511090920E+01] ), NASA( [ 1000.00, 6000.00], [ 6.816317300E+00, 3.164732820E-03, -1.217762690E-06, 2.055822610E-10, -1.268931250E-14, -7.954827160E+04, -9.528645740E+00] ) ) # note = "TPIS91" ) species(name = "COS", atoms = " C:1 O:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.462532100E+00, 1.194799200E-02, -1.379437000E-05, 8.070773600E-09, -1.832765300E-12, -1.780398700E+04, 1.080586880E+01] ), NASA( [ 1000.00, 5000.00], [ 5.239200000E+00, 2.410058400E-03, -9.606452200E-07, 1.777834700E-10, -1.223570400E-14, -1.848045500E+04, -3.077738890E+00] ) ) # note = "J 3/61" ) species(name = "CO2", atoms = " C:1 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09, -1.436995480E-13, -4.837196970E+04, 9.901052220E+00] ), NASA( [ 1000.00, 6000.00], [ 4.636594930E+00, 2.741319910E-03, -9.958285310E-07, 1.603730110E-10, -9.161034680E-15, -4.902493410E+04, -1.935348550E+00] ) ) # note = "L 7/88" ) species(name = "CO2+", atoms = " C:1 O:2 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.393056530E+00, 5.823004150E-03, 4.380120750E-08, -4.682362710E-09, 2.315528250E-12, 1.123561510E+05, 6.390385530E+00] ), NASA( [ 1000.00, 6000.00], [ 5.612925130E+00, 1.898299940E-03, -7.345963830E-07, 1.239756650E-10, -7.576922880E-15, 1.116211360E+05, -5.651356980E+00] ) ) # note = "L10/92" ) species(name = "COOH", atoms = " C:1 O:2 H:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.922079150E+00, 7.624538200E-03, 3.298846830E-06, -1.071352490E-08, 5.115873090E-12, -2.683835880E+04, 1.129259890E+01] ), NASA( [ 1000.00, 6000.00], [ 5.392062470E+00, 4.112213050E-03, -1.481948170E-06, 2.398752780E-10, -1.439029650E-14, -2.767087860E+04, -2.235286310E+00] ) ) # note = "TPIS91" ) species(name = "CP", atoms = " C:1 P:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.702914000E+00, -2.940263300E-03, 1.252637830E-05, -1.459482870E-08, 5.619553200E-12, 6.150293320E+04, 5.349714670E+00] ), NASA( [ 1000.00, 6000.00], [ 4.169860610E+00, -3.338931540E-04, 6.305100950E-07, -1.652489160E-10, 1.252485420E-14, 6.121210160E+04, 2.057622880E+00] ) ) # note = "L 9/93" ) species(name = "CS", atoms = " C:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.403934400E+00, -6.577330800E-04, 6.171215700E-06, -7.368960400E-09, 2.734673800E-12, 3.268939300E+04, 5.911067290E+00] ), NASA( [ 1000.00, 5000.00], [ 3.682601200E+00, 9.047320300E-04, -3.643637400E-07, 6.385429400E-11, -3.693398200E-15, 3.249749000E+04, 3.898416790E+00] ) ) # note = "J12/76" ) species(name = "CS2", atoms = " C:1 S:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.832601300E+00, 1.329079100E-02, -1.814469400E-05, 1.283168100E-08, -3.680060900E-12, 1.276678200E+04, 9.222194110E+00] ), NASA( [ 1000.00, 5000.00], [ 5.925261000E+00, 1.825299600E-03, -7.558538000E-07, 1.460507300E-10, -1.043859500E-14, 1.204807100E+04, -6.058932290E+00] ) ) # note = "J12/76" ) species(name = "C2", atoms = " C:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ -1.962586410E+00, 5.768153100E-02, -1.580377350E-04, 1.724606360E-07, -6.579052860E-11, 9.898833170E+04, 2.331984180E+01] ), NASA( [ 1000.00, 6000.00], [ 4.124873140E+00, 1.083466180E-04, 1.572508900E-07, -4.240421020E-11, 3.250557140E-15, 9.892280660E+04, 7.974210150E-01] ) ) # note = "TPIS91" ) species(name = "C2+", atoms = " C:2 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.744384660E+00, -2.750608040E-03, 9.416979860E-06, -9.544720490E-09, 3.487434580E-12, 2.400575730E+05, 3.701688640E+00] ), NASA( [ 1000.00, 6000.00], [ 1.474362350E+00, 3.908584150E-03, -1.153627120E-06, 1.285227900E-10, -4.371609390E-15, 2.408015850E+05, 1.565709560E+01] ) ) # note = "TPIS91" ) species(name = "C2-", atoms = " C:2 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.820382300E+00, -2.881624080E-03, 8.219230440E-06, -7.322548630E-09, 2.414059290E-12, 5.675239680E+04, 2.431812380E+00] ), NASA( [ 1000.00, 6000.00], [ 1.941477660E+00, 3.345543280E-03, -1.214013170E-06, 1.868363260E-10, -1.034476990E-14, 5.726966690E+04, 1.200325300E+01] ) ) # note = "TPIS91" ) species(name = "C2CL2", atoms = " C:2 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.022948200E+00, 1.408266700E-02, -1.809566900E-05, 1.161034800E-08, -2.881747800E-12, 2.322748200E+04, 6.099952060E-01] ), NASA( [ 1000.00, 5000.00], [ 8.172854700E+00, 2.365989200E-03, -9.655250500E-07, 1.773614800E-10, -1.213520300E-14, 2.251019000E+04, -1.490359050E+01] ) ) # note = "J12/68" ) species(name = "C2CL4", atoms = " C:2 Cl:4 ", thermo = ( NASA( [ 298.15, 1000.00], [ 4.143479200E+00, 3.742237200E-02, -5.436979300E-05, 3.911286300E-08, -1.117638400E-11, -3.949262900E+03, 8.344559340E+00] ), NASA( [ 1000.00, 5000.00], [ 1.293593700E+01, 3.430920000E-03, -1.506719400E-06, 2.934699300E-10, -2.107089600E-14, -5.893233700E+03, -3.468070290E+01] ) ) # note = "L10/87" ) species(name = "C2CL6", atoms = " C:2 Cl:6 ", thermo = ( NASA( [ 298.15, 1000.00], [ 4.638353100E+00, 6.336556100E-02, -1.008003000E-04, 7.663692200E-08, -2.264655000E-11, -2.015651300E+04, 6.474795590E+00] ), NASA( [ 1000.00, 5000.00], [ 1.903428600E+01, 3.395682100E-03, -1.511528900E-06, 2.970031500E-10, -2.145382700E-14, -2.310380300E+04, -6.285292840E+01] ) ) # note = "L10/87" ) species(name = "C2F2", atoms = " C:2 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.534583700E+00, 1.444584500E-02, -1.218969200E-05, 3.604298500E-09, 1.911895100E-13, 9.213356200E+02, 5.419465110E+00] ), NASA( [ 1000.00, 5000.00], [ 7.516458100E+00, 3.168646200E-03, -1.331138500E-06, 2.496004900E-10, -1.734207200E-14, -1.610765500E+02, -1.506806220E+01] ) ) # note = "J12/67" ) species(name = "C2F4", atoms = " C:2 F:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.616618300E+00, 2.648861800E-02, -2.243326600E-05, 6.228644500E-09, 6.214924400E-13, -8.127724200E+04, 8.523764070E+00] ), NASA( [ 1000.00, 5000.00], [ 1.108646800E+01, 5.278842900E-03, -2.235440000E-06, 4.216684600E-10, -2.943391400E-14, -8.329288400E+04, -2.986688100E+01] ) ) # note = "J 6/69" ) species(name = "C2H", atoms = " C:2 H:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.889657330E+00, 1.340996110E-02, -2.847695010E-05, 2.947910450E-08, -1.093315110E-11, 6.683939320E+04, 6.222964380E+00] ), NASA( [ 1000.00, 6000.00], [ 3.361183950E+00, 4.389897240E-03, -1.627722180E-06, 2.605566630E-10, -1.529393050E-14, 6.704922140E+04, 5.571275420E+00] ) ) # note = "L 1/91" ) species(name = "C2HCL", atoms = " C:2 H:1 Cl:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.804715800E+00, 2.583787100E-02, -4.314995400E-05, 3.588357900E-08, -1.144799200E-11, 2.423020700E+04, 1.273775460E+01] ), NASA( [ 1000.00, 5000.00], [ 6.321045700E+00, 3.845973700E-03, -1.486460600E-06, 2.656137900E-10, -1.795246600E-14, 2.344047800E+04, -8.284650860E+00] ) ) # note = "TPIS91" ) species(name = "C2HF", atoms = " C:2 H:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.690177000E+00, 1.768085300E-02, -2.274985500E-05, 1.492056800E-08, -3.738192500E-12, 1.368322300E+04, 8.146971870E+00] ), NASA( [ 1000.00, 5000.00], [ 6.094950100E+00, 3.943242800E-03, -1.471143800E-06, 2.529464100E-10, -1.644666300E-14, 1.297690700E+04, -8.315342930E+00] ) ) # note = "J12/67" ) species(name = "CHCO,ketyl", atoms = " C:2 H:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.765939710E+00, 1.417412020E-02, -2.326009860E-05, 2.157280890E-08, -7.585093080E-12, 1.808563240E+04, 1.054085910E+01] ), NASA( [ 1000.00, 6000.00], [ 4.260381100E+00, 4.827405000E-03, -1.666188440E-06, 2.614052040E-10, -1.532579630E-14, 1.788047600E+04, 3.978743200E+00] ) ) # note = "L 6/89" ) species(name = "C2H2,acetylene", atoms = " C:2 H:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08, -8.500729740E-12, 2.642898070E+04, 1.393970510E+01] ), NASA( [ 1000.00, 6000.00], [ 4.658785040E+00, 4.883965470E-03, -1.608287750E-06, 2.469742260E-10, -1.386056800E-14, 2.575940440E+04, -3.998347720E+00] ) ) # note = "L 1/91" ) species(name = "C2H2,vinylidene", atoms = " C:2 H:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.281549330E+00, 6.976427400E-03, -2.385282830E-06, -1.210770450E-09, 9.820385790E-13, 4.862179430E+04, 5.920391690E+00] ), NASA( [ 1000.00, 6000.00], [ 4.278071390E+00, 4.756228830E-03, -1.630075130E-06, 2.546229810E-10, -1.488603260E-14, 4.831667220E+04, 6.400226000E-01] ) ) # note = "L12/89" ) species(name = "CH2CO,ketene", atoms = " C:2 H:2 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09, -2.014576150E-12, -7.042918040E+03, 1.221564800E+01] ), NASA( [ 1000.00, 6000.00], [ 5.757933070E+00, 6.349114130E-03, -2.258148350E-06, 3.620267330E-10, -2.156512040E-14, -7.978783840E+03, -6.107721500E+00] ) ) # note = "L 5/90" ) species(name = "C2H3,vinyl", atoms = " C:2 H:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08, 1.471508730E-11, 3.485984680E+04, 8.510540250E+00] ), NASA( [ 1000.00, 6000.00], [ 4.351050550E+00, 7.493300910E-03, -2.643145860E-06, 4.212859060E-10, -2.498961190E-14, 3.415461810E+04, 5.716765290E-01] ) ) # note = "L 2/92" ) species(name = "CH3CN", atoms = " C:2 H:3 N:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.824842210E+00, 4.101003590E-03, 2.145456790E-05, -2.872345430E-08, 1.118041460E-11, 6.288385220E+03, 5.540242110E+00] ), NASA( [ 1000.00, 6000.00], [ 5.085769740E+00, 9.707970400E-03, -3.484849460E-06, 5.621067600E-10, -3.362346700E-14, 5.458530740E+03, -3.265539030E+00] ) ) # note = "L12/92" ) species(name = "CH3CO,acetyl", atoms = " C:2 H:3 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.125278500E+00, 9.778220200E-03, 4.521448300E-06, -9.009461600E-09, 3.193717900E-12, -4.108507800E+03, 1.124202120E+01] ), NASA( [ 1000.00, 5000.00], [ 5.612278900E+00, 8.449886000E-03, -2.854147200E-06, 4.238376300E-10, -2.268403700E-14, -5.187863300E+03, -3.261781930E+00] ) ) # note = "BUR 84" ) species(name = "C2H4", atoms = " C:2 H:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08, 2.698843730E-11, 5.089775930E+03, 4.097330960E+00] ), NASA( [ 1000.00, 6000.00], [ 3.991827610E+00, 1.048339100E-02, -3.717213850E-06, 5.946285140E-10, -3.536305260E-14, 4.268658190E+03, -2.690521510E-01] ) ) # note = "L 1/91" ) species(name = "C2H4O,ethylen", atoms = " C:2 H:4 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.759049310E+00, -9.441192920E-03, 8.030967700E-05, -1.008077560E-07, 4.003983570E-11, -7.560814020E+03, 7.849770300E+00] ), NASA( [ 1000.00, 6000.00], [ 5.488884290E+00, 1.204602310E-02, -4.333615450E-06, 7.002690000E-10, -4.194818700E-14, -9.180475760E+03, -7.080638680E+00] ) ) # note = "o L 8/88" ) species(name = "CH3CHO,ethanal", atoms = " C:2 H:4 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.729476270E+00, -3.193431610E-03, 4.753535050E-05, -5.745904740E-08, 2.193126190E-11, -2.157287990E+04, 4.102954550E+00] ), NASA( [ 1000.00, 6000.00], [ 5.404178990E+00, 1.172296750E-02, -4.226268300E-06, 6.837157330E-10, -4.098426760E-14, -2.259315080E+04, -3.481175930E+00] ) ) # note = "L 8/88" ) species(name = "CH3COOH", atoms = " C:2 H:4 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.789368440E+00, 1.000010160E-02, 3.425579780E-05, -5.090179190E-08, 2.062175040E-11, -5.347522920E+04, 1.410595040E+01] ), NASA( [ 1000.00, 6000.00], [ 7.670836780E+00, 1.351526950E-02, -5.258746880E-06, 8.931850620E-10, -5.531808910E-14, -5.575609710E+04, -1.546765900E+01] ) ) # note = "L 8/88" ) species(name = "(HCOOH)2", atoms = " C:2 H:4 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.769238500E+00, 2.722471600E-02, 1.723805300E-06, -2.077672400E-08, 9.937994900E-12, -1.010498800E+05, 1.050549660E+01] ), NASA( [ 1000.00, 5000.00], [ 1.220737100E+01, 1.368885100E-02, -4.684036900E-06, 7.051166300E-10, -3.836928500E-14, -1.039593800E+05, -3.570980540E+01] ) ) # note = "BUR 92" ) species(name = "C2H5", atoms = " C:2 H:5 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08, 2.305090040E-11, 1.284162650E+04, 4.707209240E+00] ), NASA( [ 1000.00, 6000.00], [ 4.288005350E+00, 1.243373740E-02, -4.413838290E-06, 7.065269430E-10, -4.203418560E-14, 1.205642000E+04, 8.452996230E-01] ) ) # note = "L12/92" ) species(name = "C2H6", atoms = " C:2 H:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08, 2.686857710E-11, -1.152220550E+04, 2.666823160E+00] ), NASA( [ 1000.00, 6000.00], [ 4.046666740E+00, 1.535387660E-02, -5.470393210E-06, 8.778262280E-10, -5.231673050E-14, -1.244735120E+04, -9.686836070E-01] ) ) # note = "L 8/88" ) species(name = "CH3N2CH3", atoms = " C:2 H:6 N:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 6.296136320E+00, -2.258154270E-03, 6.212328030E-05, -7.462929970E-08, 2.803719470E-11, 1.569288500E+04, -2.499259150E+00] ), NASA( [ 1000.00, 6000.00], [ 7.449548510E+00, 1.744061530E-02, -6.273824530E-06, 1.013511780E-09, -6.069374940E-14, 1.419799780E+04, -1.415676380E+01] ) ) # note = "L 8/88" ) species(name = "CH3OCH3", atoms = " C:2 H:6 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.305622790E+00, -2.142542720E-03, 5.308732440E-05, -6.231471360E-08, 2.307310360E-11, -2.398662950E+04, 7.132642090E-01] ), NASA( [ 1000.00, 6000.00], [ 5.648441830E+00, 1.633818990E-02, -5.868023670E-06, 9.468368690E-10, -5.665047380E-14, -2.510746900E+04, -5.962649390E+00] ) ) # note = "L12/92" ) species(name = "C2H5OH", atoms = " C:2 H:6 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.858681780E+00, -3.740067400E-03, 6.955502670E-05, -8.865411470E-08, 3.516844300E-11, -2.999613090E+04, 4.801922940E+00] ), NASA( [ 1000.00, 6000.00], [ 6.562897700E+00, 1.520342640E-02, -5.389222470E-06, 8.621502240E-10, -5.128246830E-14, -3.152579840E+04, -9.475576440E+00] ) ) # note = "L 8/88" ) species(name = "CCN", atoms = " C:2 N:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.676007240E+00, 7.888423480E-03, -9.553266390E-06, 7.313440880E-09, -2.480352020E-12, 9.541955350E+04, 5.816519500E+00] ), NASA( [ 1000.00, 6000.00], [ 5.535949400E+00, 1.933361810E-03, -7.430079930E-07, 1.256541670E-10, -7.704200350E-15, 9.490280650E+04, -3.703806370E+00] ) ) # note = "L12/92" ) species(name = "CNC", atoms = " C:2 N:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.989588710E+00, 5.219778320E-03, -5.810837060E-07, -3.394165200E-09, 1.762730840E-12, 8.096563570E+04, 3.887219260E+00] ), NASA( [ 1000.00, 6000.00], [ 5.932596960E+00, 1.579147540E-03, -6.123335320E-07, 1.038696100E-10, -6.431618970E-15, 8.033268330E+04, -6.602071570E+00] ) ) # note = "TPIS91" ) species(name = "C2N2", atoms = " C:2 N:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.329253250E+00, 2.615378470E-02, -4.900039940E-05, 4.619174780E-08, -1.643238550E-11, 3.566844240E+04, 9.863362270E+00] ), NASA( [ 1000.00, 6000.00], [ 6.705447690E+00, 3.642603390E-03, -1.309342500E-06, 2.164110610E-10, -1.311874100E-14, 3.486080050E+04, -1.048036950E+01] ) ) # note = "TPIS79" ) species(name = "C2O", atoms = " C:2 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.863454220E+00, 1.197329690E-02, -1.812325010E-05, 1.538136340E-08, -5.289065240E-12, 3.375009450E+04, 8.894058810E+00] ), NASA( [ 1000.00, 6000.00], [ 5.515764440E+00, 1.877457040E-03, -7.011597570E-07, 1.215052910E-10, -7.767788550E-15, 3.309704580E+04, -4.276361380E+00] ) ) # note = "L12/89" ) species(name = "C3", atoms = " C:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.432839630E+00, -4.467543830E-03, 1.493214820E-05, -1.479531380E-08, 5.014211120E-12, 9.949572220E+04, -1.587207150E+00] ), NASA( [ 1000.00, 6000.00], [ 4.803577680E+00, 2.145112330E-03, -1.072920740E-06, 2.607352590E-10, -2.016319600E-14, 9.939654160E+04, 3.893693080E-01] ) ) # note = "TPIS79" ) species(name = "C3H3,propargyl", atoms = " C:3 H:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.828407660E+00, 2.378390360E-02, -2.192281760E-05, 1.000674440E-08, -1.389846440E-12, 4.018630580E+04, 1.384479570E+01] ), NASA( [ 1000.00, 6000.00], [ 6.641758210E+00, 8.085874280E-03, -2.847878870E-06, 4.535259770E-10, -2.688798150E-14, 3.897936990E+04, -1.040042550E+01] ) ) # note = "BUR 92" ) species(name = "C3H4,allene", atoms = " C:3 H:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.613074870E+00, 1.212233710E-02, 1.854054000E-05, -3.452584750E-08, 1.533533890E-11, 2.154156420E+04, 1.025033190E+01] ), NASA( [ 1000.00, 6000.00], [ 6.316948690E+00, 1.113362620E-02, -3.962890180E-06, 6.356337750E-10, -3.787498850E-14, 2.011746170E+04, -1.097188620E+01] ) ) # note = "L12/92" ) species(name = "C3H4,propyne", atoms = " C:3 H:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.680407600E+00, 1.579944290E-02, 2.507757370E-06, -1.365845840E-08, 6.615766070E-12, 2.069163920E+04, 9.892510470E+00] ), NASA( [ 1000.00, 6000.00], [ 6.025310920E+00, 1.133644270E-02, -4.022290480E-06, 6.437513650E-10, -3.829900820E-14, 1.951017920E+04, -8.589125920E+00] ) ) # note = "L12/92" ) species(name = "C3H4,cyclo-", atoms = " C:3 H:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.246665530E+00, 5.762380840E-03, 4.420803050E-05, -6.629067860E-08, 2.818247300E-11, 3.212843890E+04, 1.334518370E+01] ), NASA( [ 1000.00, 6000.00], [ 6.280787300E+00, 1.123938190E-02, -4.019575260E-06, 6.469206480E-10, -3.864332480E-14, 3.034150860E+04, -1.114199450E+01] ) ) # note = "L 5/90" ) species(name = "C3H5,allyl", atoms = " C:3 H:5 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.787946930E+00, 9.484143350E-03, 2.423433680E-05, -3.656040100E-08, 1.485923560E-11, 1.862612180E+04, 7.828224990E+00] ), NASA( [ 1000.00, 6000.00], [ 6.547611320E+00, 1.331522460E-02, -4.783331000E-06, 7.719498140E-10, -4.619308080E-14, 1.727147070E+04, -9.274868410E+00] ) ) # note = "BUR 92" ) species(name = "C3H6,propylene", atoms = " C:3 H:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.834645240E+00, 3.290784050E-03, 5.052281840E-05, -6.662514180E-08, 2.637075850E-11, 7.538382950E+02, 7.534109950E+00] ), NASA( [ 1000.00, 6000.00], [ 6.038704990E+00, 1.629638950E-02, -5.821306240E-06, 9.359364830E-10, -5.586029030E-14, -7.765950920E+02, -8.438243220E+00] ) ) # note = "L 7/90" ) species(name = "C3H6,cyclo-", atoms = " C:3 H:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.832785550E+00, -5.210274620E-03, 9.295828370E-05, -1.227531460E-07, 4.991911540E-11, 5.195200570E+03, 1.083067000E+01] ), NASA( [ 1000.00, 6000.00], [ 6.216632930E+00, 1.653936140E-02, -5.900759610E-06, 9.480954730E-10, -5.656617370E-14, 2.959375550E+03, -1.360406070E+01] ) ) # note = "L 1/93" ) species(name = "C3H6O", atoms = " C:3 H:6 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.568510510E+00, 5.027172920E-03, 6.423156070E-05, -8.902295480E-08, 3.624237660E-11, -1.296792050E+04, 9.888382290E+00] ), NASA( [ 1000.00, 6000.00], [ 7.945557100E+00, 1.740616780E-02, -6.254364630E-06, 1.009754570E-09, -6.044889530E-14, -1.528676830E+04, -1.841841330E+01] ) ) # note = "L 6/90" ) species(name = "C3H7,n-propyl", atoms = " C:3 H:7 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.032399960E+00, 3.427283120E-03, 6.143444200E-05, -8.376463380E-08, 3.408577760E-11, 1.033938390E+04, 8.774280790E+00] ), NASA( [ 1000.00, 6000.00], [ 6.964684620E+00, 1.754519460E-02, -6.233700550E-06, 9.985297350E-10, -5.943947930E-14, 8.542443580E+03, -1.148314780E+01] ) ) # note = "L 6/90" ) species(name = "C3H7,i-propyl", atoms = " C:3 H:7 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.408728720E+00, -8.552218250E-03, 8.421784910E-05, -1.009426830E-07, 3.869144790E-11, 9.426009560E+03, 3.623225040E+00] ), NASA( [ 1000.00, 6000.00], [ 5.751258820E+00, 1.876057620E-02, -6.701919760E-06, 1.077518710E-09, -6.430908850E-14, 7.979772930E+03, -4.913593550E+00] ) ) # note = "L 9/85" ) species(name = "C3H8", atoms = " C:3 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.211026200E+00, 1.715998030E-03, 7.061834720E-05, -9.195941160E-08, 3.644213720E-11, -1.438121060E+04, 5.609304910E+00] ), NASA( [ 1000.00, 6000.00], [ 6.667893630E+00, 2.061202140E-02, -7.365530270E-06, 1.184407610E-09, -7.069532100E-14, -1.627485210E+04, -1.318595030E+01] ) ) # note = "L 6/90" ) species(name = "C3H8O,1propanol", atoms = " C:3 H:8 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.277994200E+00, 8.086605460E-04, 8.215481790E-05, -1.084881850E-07, 4.348868970E-11, -3.283487740E+04, 5.705268350E+00] ), NASA( [ 1000.00, 6000.00], [ 8.710109290E+00, 2.080514730E-02, -7.384808980E-06, 1.181889770E-09, -7.035977830E-14, -3.512440240E+04, -1.889654530E+01] ) ) # note = "L 9/88" ) species(name = "C3H8O,2propanol", atoms = " C:3 H:8 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.308030270E+00, 1.024980100E-02, 6.198578050E-05, -9.033110880E-08, 3.740653720E-11, -3.492488430E+04, 7.558262540E+00] ), NASA( [ 1000.00, 6000.00], [ 9.642711130E+00, 2.002244130E-02, -7.119483640E-06, 1.141363550E-09, -6.799216670E-14, -3.748400950E+04, -2.563460740E+01] ) ) # note = "L 9/88" ) species(name = "C3O2", atoms = " C:3 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.196682110E+00, 3.145531380E-02, -5.074586230E-05, 4.357943980E-08, -1.473517870E-11, -1.294609800E+04, 1.329852640E+01] ), NASA( [ 1000.00, 6000.00], [ 8.461759200E+00, 4.815528250E-03, -1.809307590E-06, 3.007870800E-10, -1.837221620E-14, -1.432716540E+04, -1.706056880E+01] ) ) # note = "L 7/88" ) species(name = "C4", atoms = " C:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.322734820E+00, 2.025964530E-02, -3.734660710E-05, 3.568782550E-08, -1.277273820E-11, 1.227236380E+05, 6.809948290E+00] ), NASA( [ 1000.00, 6000.00], [ 5.630914940E+00, 4.831163970E-03, -1.504056420E-06, 2.028723570E-10, -1.003456870E-14, 1.225008790E+05, -2.989547310E+00] ) ) # note = "L 7/88" ) species(name = "C4H2", atoms = " C:4 H:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ -4.071323930E-01, 5.207751430E-02, -9.211383400E-05, 8.086574030E-08, -2.704220800E-11, 5.259573670E+04, 2.032402230E+01] ), NASA( [ 1000.00, 6000.00], [ 8.667048950E+00, 6.715051910E-03, -2.353550600E-06, 3.736353660E-10, -2.210540430E-14, 5.100169780E+04, -2.180020500E+01] ) ) # note = "L 2/93" ) species(name = "C4H4,1,3-cyclo-", atoms = " C:4 H:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.278953180E+00, 1.342033500E-02, 4.119920630E-05, -6.989567270E-08, 3.072521200E-11, 4.508640970E+04, 1.767877880E+01] ), NASA( [ 1000.00, 6000.00], [ 8.042077510E+00, 1.252021740E-02, -4.523370470E-06, 7.331204430E-10, -4.401108640E-14, 4.251084940E+04, -2.112844830E+01] ) ) # note = "L 5/90" ) species(name = "C4H6,butadiene", atoms = " C:4 H:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.685304240E+00, 1.961200120E-02, 4.465235710E-05, -8.315231140E-08, 3.806512260E-11, 1.160757090E+04, 1.675459670E+01] ), NASA( [ 1000.00, 6000.00], [ 1.600101390E+01, 3.918251150E-03, 1.143557330E-06, -2.079257480E-10, 7.577135510E-15, 6.517082210E+03, -6.282041450E+01] ) ) # note = "X10/92" ) species(name = "C4H6,2-butyne", atoms = " C:4 H:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.424816990E+00, 2.653800040E-03, 5.304432810E-05, -6.713920950E-08, 2.581900810E-11, 1.546412160E+04, 5.409674090E-01] ), NASA( [ 1000.00, 6000.00], [ 6.932320900E+00, 1.864258730E-02, -6.823591040E-06, 1.119104850E-09, -6.767831130E-14, 1.403095580E+04, -1.220842830E+01] ) ) # note = "X10/88" ) species(name = "C4H6,cyclo-", atoms = " C:4 H:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.916334330E+00, -3.205848100E-03, 1.002635710E-04, -1.342481670E-07, 5.466701000E-11, 1.747322360E+04, 1.248171830E+01] ), NASA( [ 1000.00, 6000.00], [ 7.848582530E+00, 1.808128920E-02, -6.531866440E-06, 1.058421230E-09, -6.352539390E-14, 1.461534610E+04, -2.089802570E+01] ) ) # note = "L 5/90" ) species(name = "C4H8,1-butene", atoms = " C:4 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.426740730E+00, 6.639462490E-03, 6.806528150E-05, -9.287535620E-08, 3.734739490E-11, -2.115327960E+03, 7.546948600E+00] ), NASA( [ 1000.00, 6000.00], [ 8.021479910E+00, 2.260107070E-02, -8.312840330E-06, 1.378030720E-09, -8.421754590E-14, -4.308521530E+03, -1.711706970E+01] ) ) # note = "X 4/88" ) species(name = "C4H8,cis2-buten", atoms = " C:4 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.444178170E+00, -5.204516940E-03, 9.629065770E-05, -1.200688140E-07, 4.681948250E-11, -2.917414720E+03, 3.460507330E+00] ), NASA( [ 1000.00, 6000.00], [ 7.083350250E+00, 2.349824300E-02, -8.644830790E-06, 1.431601070E-09, -8.737626420E-14, -4.923202660E+03, -1.287093170E+01] ) ) # note = "X 4/88" ) species(name = "C4H8,tr2-butene", atoms = " C:4 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.572789670E+00, 3.765410170E-03, 6.522267080E-05, -8.309095220E-08, 3.203113420E-11, -3.579033010E+03, 5.377967080E-01] ), NASA( [ 1000.00, 6000.00], [ 7.625146700E+00, 2.304510420E-02, -8.494248640E-06, 1.411525540E-09, -8.647517570E-14, -5.401028150E+03, -1.619870800E+01] ) ) # note = "X 4/88" ) species(name = "C4H8,isobutene", atoms = " C:4 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.680497270E+00, 1.694144450E-02, 3.519635550E-05, -5.431668560E-08, 2.202016360E-11, -4.120993080E+03, 8.114571490E+00] ), NASA( [ 1000.00, 6000.00], [ 7.835553300E+00, 2.274596790E-02, -8.365175490E-06, 1.390762500E-09, -8.533299690E-14, -6.163563220E+03, -1.765407190E+01] ) ) # note = "X 4/88" ) species(name = "C4H8,cyclo-", atoms = " C:4 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.811447200E+00, -9.680499980E-03, 1.279176940E-04, -1.630571250E-07, 6.483147900E-11, 1.871079300E+03, 8.609981960E+00] ), NASA( [ 1000.00, 6000.00], [ 7.763310540E+00, 2.306533500E-02, -8.259837580E-06, 1.334123890E-09, -7.993633020E-14, -1.176720080E+03, -2.191482110E+01] ) ) # note = "L 5/90" ) species(name = "(CH3COOH)2", atoms = " C:4 H:8 O:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 7.754817430E+00, 1.389188970E-02, 8.329556090E-05, -1.200218550E-07, 4.906796450E-11, -1.151856690E+05, -1.224468140E+00] ), NASA( [ 1000.00, 6000.00], [ 1.582452080E+01, 2.618351170E-02, -9.460983580E-06, 1.533376160E-09, -9.204765450E-14, -1.190391410E+05, -5.110976170E+01] ) ) # note = "L 6/90" ) species(name = "C4H9,n-butyl", atoms = " C:4 H:9 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.824305400E+00, 5.503090800E-03, 7.493003300E-05, -1.020859430E-07, 4.134847140E-11, 5.540780490E+03, 2.176095090E+00] ), NASA( [ 1000.00, 6000.00], [ 9.189756150E+00, 2.363222670E-02, -8.642709850E-06, 1.427705150E-09, -8.702037160E-14, 3.377029090E+03, -2.156005600E+01] ) ) # note = "X10/84" ) species(name = "C4H9,i-butyl", atoms = " C:4 H:9 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.548852350E+00, 1.787476380E-02, 5.007828250E-05, -7.944750710E-08, 3.358023540E-11, 4.740115880E+03, 1.118493820E+01] ), NASA( [ 1000.00, 6000.00], [ 9.430406070E+00, 2.342713490E-02, -8.535991820E-06, 1.397483550E-09, -8.440574560E-14, 2.142148620E+03, -2.422079940E+01] ) ) # note = "X10/84" ) species(name = "C4H9,s-butyl", atoms = " C:4 H:9 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.039306070E+00, 4.093871000E-04, 9.155741120E-05, -1.194117130E-07, 4.750439870E-11, 6.423272360E+03, 8.243604440E+00] ), NASA( [ 1000.00, 6000.00], [ 8.426119390E+00, 2.393792650E-02, -8.560357830E-06, 1.377351600E-09, -8.224960050E-14, 3.964842530E+03, -1.698768750E+01] ) ) # note = "L 1/93" ) species(name = "C4H9,t-butyl", atoms = " C:4 H:9 ", thermo = ( NASA( [ 200.00, 1000.00], [ 6.873271330E+00, -1.851463060E-02, 1.305601160E-04, -1.508327550E-07, 5.653582820E-11, 4.109589380E+03, 2.300166040E-01] ), NASA( [ 1000.00, 6000.00], [ 6.630746560E+00, 2.593537450E-02, -9.371631110E-06, 1.518458900E-09, -9.111908630E-14, 2.008613230E+03, -9.205814400E+00] ) ) # note = "L 1/93" ) species(name = "C4H10,isobutane", atoms = " C:4 H:10 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.454792760E+00, 8.260579850E-03, 8.298866640E-05, -1.146476420E-07, 4.645701010E-11, -1.845939310E+04, 4.927431750E+00] ), NASA( [ 1000.00, 6000.00], [ 9.769912450E+00, 2.549972100E-02, -9.141429320E-06, 1.473282710E-09, -8.808001880E-14, -2.140526470E+04, -3.003291010E+01] ) ) # note = "L 6/90" ) species(name = "C4H10,n-butane", atoms = " C:4 H:10 ", thermo = ( NASA( [ 200.00, 1000.00], [ 6.147468060E+00, 1.559473890E-04, 9.679135170E-05, -1.254839100E-07, 4.978165550E-11, -1.759944020E+04, -1.094098790E+00] ), NASA( [ 1000.00, 6000.00], [ 9.445358340E+00, 2.578580730E-02, -9.236191220E-06, 1.486327550E-09, -8.878971580E-14, -2.013821650E+04, -2.634700760E+01] ) ) # note = "L 6/90" ) species(name = "C4N2", atoms = " C:4 N:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.281168450E+00, 4.612735130E-02, -8.532932430E-05, 7.934077790E-08, -2.803563990E-11, 6.204010130E+04, 1.128981740E+01] ), NASA( [ 1000.00, 6000.00], [ 1.048548000E+01, 5.695448890E-03, -2.127455470E-06, 3.523231960E-10, -2.146317290E-14, 6.046206300E+04, -2.722665020E+01] ) ) # note = "J 3/61" ) species(name = "C5", atoms = " C:5 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.358730230E+00, 3.243508750E-02, -5.930584700E-05, 5.601148640E-08, -2.030751760E-11, 1.243762420E+05, 6.049158480E+00] ), NASA( [ 1000.00, 6000.00], [ 9.574568880E+00, 3.860167980E-03, -1.475580140E-06, 2.480488330E-10, -1.526602530E-14, 1.230535170E+05, -2.371379800E+01] ) ) # note = "L 7/88" ) species(name = "C5H6,1,3cyclo-", atoms = " C:5 H:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 8.610440320E-01, 1.480458700E-02, 7.210720840E-05, -1.133783980E-07, 4.868904820E-11, 1.480175480E+04, 2.135362590E+01] ), NASA( [ 1000.00, 6000.00], [ 9.975827450E+00, 1.890552330E-02, -6.841103000E-06, 1.109921170E-09, -6.667914270E-14, 1.108167270E+04, -3.220968920E+01] ) ) # note = "L 5/90" ) species(name = "C5H8,cyclo-", atoms = " C:5 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.689805140E+00, 2.096355330E-03, 1.130344590E-04, -1.540775810E-07, 6.276235640E-11, 2.458270670E+03, 1.530750400E+01] ), NASA( [ 1000.00, 6000.00], [ 9.642824230E+00, 2.425628340E-02, -8.720895030E-06, 1.411908680E-09, -8.472678480E-14, -1.292550320E+03, -3.012256060E+01] ) ) # note = "L 1/93" ) species(name = "C5H10,1-pentene", atoms = " C:5 H:10 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.883564560E+00, 5.104012670E-03, 9.782821560E-05, -1.323892270E-07, 5.322315070E-11, -5.168230680E+03, 3.419870310E+00] ), NASA( [ 1000.00, 6000.00], [ 1.173970550E+01, 2.574670710E-02, -9.259887010E-06, 1.514978850E-09, -9.178839390E-14, -8.462748390E+03, -3.543756190E+01] ) ) # note = "X 4/87" ) species(name = "C5H10,cyclo-", atoms = " C:5 H:10 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.703279550E+00, -1.155653540E-02, 1.641114390E-04, -2.093681340E-07, 8.310545070E-11, -1.109517860E+04, 1.197777610E+01] ), NASA( [ 1000.00, 6000.00], [ 9.132957900E+00, 3.011304300E-02, -1.091691370E-05, 1.772987670E-09, -1.065752480E-13, -1.515973720E+04, -2.926188280E+01] ) ) # note = "L 6/90" ) species(name = "C5H11,pentyl", atoms = " C:5 H:11 ", thermo = ( NASA( [ 200.00, 1000.00], [ 7.174014320E+00, 3.809215880E-03, 1.043790650E-04, -1.396340500E-07, 5.603951170E-11, 2.528709020E+03, -1.188686300E+00] ), NASA( [ 1000.00, 6000.00], [ 1.129851350E+01, 2.973142150E-02, -1.097727140E-05, 1.827088950E-09, -1.119960260E-13, -2.397641670E+02, -3.103959100E+01] ) ) # note = "X10/84" ) species(name = "C5H11,t-pentyl", atoms = " C:5 H:11 ", thermo = ( NASA( [ 200.00, 1000.00], [ 6.446225330E+00, -9.541777630E-03, 1.378913620E-04, -1.692416310E-07, 6.530971270E-11, 1.508375060E+03, 5.430917420E+00] ), NASA( [ 1000.00, 6000.00], [ 9.231210010E+00, 3.116883830E-02, -1.124785860E-05, 1.820906580E-09, -1.092053950E-13, -1.600694980E+03, -2.061419740E+01] ) ) # note = "L 1/93" ) species(name = "C5H12,n-pentane", atoms = " C:5 H:12 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.898367900E+00, 4.120303700E-02, 1.231217500E-05, -3.658950100E-08, 1.504250900E-11, -2.009150000E+04, 1.867908200E+01] ), NASA( [ 1000.00, 5000.00], [ 1.354699800E+01, 2.842178600E-02, -9.417464800E-06, 1.389358900E-09, -7.421260900E-14, -2.457768000E+04, -4.702117500E+01] ) ) # note = "X10/85" ) species(name = "C5H12,i-pentane", atoms = " C:5 H:12 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.083288200E+00, 4.457107600E-02, 8.238993400E-06, -3.525804700E-08, 1.578576200E-11, -2.080753500E+04, 2.179515500E+01] ), NASA( [ 1000.00, 5000.00], [ 1.232778700E+01, 3.061308700E-02, -9.841578500E-06, 1.391977600E-09, -7.033734500E-14, -2.503749200E+04, -4.113349400E+01] ) ) # note = "X10/85" ) species(name = "CH3C(CH3)2CH3", atoms = " C:5 H:12 ", thermo = ( NASA( [ 298.15, 1000.00], [ 7.263899400E-01, 4.812547600E-02, 1.591745800E-06, -2.669245800E-08, 1.207828200E-11, -2.240798000E+04, 1.832721400E+01] ), NASA( [ 1000.00, 5000.00], [ 1.011041600E+01, 3.534956600E-02, -1.103996700E-05, 1.477772100E-09, -6.846704200E-14, -2.580671100E+04, -3.375698400E+01] ) ) # note = "X10/85" ) species(name = "C6H2", atoms = " C:6 H:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ -5.944050260E-01, 7.466133290E-02, -1.358479800E-04, 1.221981000E-07, -4.176967510E-11, 7.841922040E+04, 2.211787800E+01] ), NASA( [ 1000.00, 6000.00], [ 1.252380600E+01, 8.785962820E-03, -3.136631730E-06, 5.043459080E-10, -3.011097000E-14, 7.607710370E+04, -3.885012450E+01] ) ) # note = "L 2/93" ) species(name = "C6H5,phenyl", atoms = " C:6 H:5 ", thermo = ( NASA( [ 200.00, 1000.00], [ 7.097250320E-01, 1.932994840E-02, 5.940790070E-05, -9.850841470E-08, 4.254247550E-11, 3.913456770E+04, 2.302992940E+01] ), NASA( [ 1000.00, 6000.00], [ 1.077022000E+01, 1.838485970E-02, -6.699859510E-06, 1.092256200E-09, -6.584144390E-14, 3.520403280E+04, -3.501468370E+01] ) ) # note = "L 1/91" ) species(name = "C6D5", atoms = " C:6 D:5 ", thermo = ( NASA( [ 300.00, 1000.00], [ -1.254978200E+00, 4.732876600E-02, -8.075988300E-06, -2.990197200E-08, 1.714906000E-11, 3.531406300E+04, 2.978014600E+01] ), NASA( [ 1000.00, 5000.00], [ 1.472949200E+01, 1.521053500E-02, -5.524163500E-06, 8.798457500E-10, -5.097921700E-14, 3.028262900E+04, -5.575496400E+01] ) ) # note = "L12/84" ) species(name = "C6H5O,phenoxy", atoms = " C:6 H:5 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 7.762964460E-02, 3.305749150E-02, 3.603562560E-05, -7.931654260E-08, 3.643286230E-11, 4.065393830E+03, 2.575989200E+01] ), NASA( [ 1000.00, 6000.00], [ 1.315151340E+01, 1.901655070E-02, -6.946955920E-06, 1.134421720E-09, -6.846342030E-14, -4.729682660E+02, -4.671072250E+01] ) ) # note = "L 6/90" ) species(name = "C6H6", atoms = " C:6 H:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.034696640E-01, 1.851423630E-02, 7.378644090E-05, -1.181061270E-07, 5.071825270E-11, 8.552662930E+03, 2.164817960E+01] ), NASA( [ 1000.00, 6000.00], [ 1.107717080E+01, 2.070678950E-02, -7.516251000E-06, 1.222094160E-09, -7.353125130E-14, 4.309883950E+03, -4.001169500E+01] ) ) # note = "L 1/91" ) species(name = "C6D6", atoms = " C:6 D:6 ", thermo = ( NASA( [ 300.00, 1000.00], [ -2.070121800E+00, 5.293819700E-02, -9.607482800E-06, -3.280237200E-08, 1.901252800E-11, 5.406898400E+03, 3.069387300E+01] ), NASA( [ 1000.00, 5000.00], [ 1.561986400E+01, 1.712393400E-02, -6.201275900E-06, 9.849305800E-10, -5.689155700E-14, -1.443305200E+02, -6.388818900E+01] ) ) # note = "L12/84" ) species(name = "C6H5OH,phenol", atoms = " C:6 H:6 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ -2.910492290E-01, 4.085678420E-02, 2.428235450E-05, -7.144767570E-08, 3.460030440E-11, -1.341292310E+04, 2.687488860E+01] ), NASA( [ 1000.00, 6000.00], [ 1.415536740E+01, 1.993494980E-02, -7.182171320E-06, 1.162286800E-09, -6.971458400E-14, -1.812873420E+04, -5.179914120E+01] ) ) # note = "L 6/90" ) species(name = "C6H10,cyclo-", atoms = " C:6 H:10 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.366278040E+00, 1.068141580E-02, 1.182222430E-04, -1.656799130E-07, 6.761337860E-11, -2.482503580E+03, 1.676920330E+01] ), NASA( [ 1000.00, 6000.00], [ 1.177338890E+01, 3.094827430E-02, -1.123472620E-05, 1.826320450E-09, -1.098556830E-13, -7.202632330E+03, -4.265579330E+01] ) ) # note = "L 1/93" ) species(name = "C6H12,1-hexene", atoms = " C:6 H:12 ", thermo = ( NASA( [ 200.00, 1000.00], [ 7.315398300E+00, 3.709037580E-03, 1.272557230E-04, -1.715622330E-07, 6.898245210E-11, -8.209162390E+03, -5.957824360E-01] ), NASA( [ 1000.00, 6000.00], [ 1.512688200E+01, 2.949751920E-02, -1.054111890E-05, 1.721313940E-09, -1.042188530E-13, -1.248615900E+04, -5.193517580E+01] ) ) # note = "X 4/87" ) species(name = "C6H12,cyclo-", atoms = " C:6 H:12 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.043487640E+00, -6.195274240E-03, 1.766210860E-04, -2.229678090E-07, 8.636673900E-11, -1.692028720E+04, 8.525667660E+00] ), NASA( [ 1000.00, 6000.00], [ 1.321475620E+01, 3.582424100E-02, -1.321105950E-05, 2.172022540E-09, -1.317305400E-13, -2.280919540E+04, -5.535264640E+01] ) ) # note = "L 6/90" ) species(name = "C6H13,n-hexyl", atoms = " C:6 H:13 ", thermo = ( NASA( [ 200.00, 1000.00], [ 8.763449540E+00, 2.162438500E-03, 1.316740840E-04, -1.738274520E-07, 6.925150090E-11, -5.426281150E+02, -5.917269780E+00] ), NASA( [ 1000.00, 6000.00], [ 1.403019770E+01, 3.471140290E-02, -1.268361030E-05, 2.093659020E-09, -1.276279850E-13, -4.069078900E+03, -4.396438240E+01] ) ) # note = "X10/83" ) species(name = "C7H7,benzyl", atoms = " C:7 H:7 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.811457110E-01, 3.851269430E-02, 3.286183410E-05, -7.697286030E-08, 3.542302670E-11, 2.330702100E+04, 2.354870000E+01] ), NASA( [ 1000.00, 6000.00], [ 1.404356270E+01, 2.349462090E-02, -8.537869990E-06, 1.389145230E-09, -8.361836590E-14, 1.856436970E+04, -5.166323940E+01] ) ) # note = "L 1/93" ) species(name = "C7H8", atoms = " C:7 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.611914000E+00, 2.111889020E-02, 8.532214530E-05, -1.325668760E-07, 5.594061090E-11, 4.096519760E+03, 2.029736140E+01] ), NASA( [ 1000.00, 6000.00], [ 1.293947500E+01, 2.669215580E-02, -9.684201080E-06, 1.573921400E-09, -9.466704820E-14, -6.770357690E+02, -4.672553020E+01] ) ) # note = "L 1/93" ) species(name = "C7H8O,cresol", atoms = " C:7 H:8 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 7.980260290E-01, 4.672849340E-02, 2.736173620E-05, -7.758232780E-08, 3.689483500E-11, -1.833240870E+04, 2.423031790E+01] ), NASA( [ 1000.00, 6000.00], [ 1.651794990E+01, 2.547216040E-02, -9.187812490E-06, 1.487726750E-09, -8.926171800E-14, -2.361167750E+04, -6.193862240E+01] ) ) # note = "mx L 1/93" ) species(name = "C7H14,1-heptene", atoms = " C:7 H:14 ", thermo = ( NASA( [ 200.00, 1000.00], [ 8.705756230E+00, 2.797880480E-03, 1.552122600E-04, -2.090201140E-07, 8.405272240E-11, -1.126613850E+04, -4.453418730E+00] ), NASA( [ 1000.00, 6000.00], [ 1.849724840E+01, 3.325759900E-02, -1.181503300E-05, 1.925132780E-09, -1.164418860E-13, -1.651420440E+04, -6.830951380E+01] ) ) # note = "X 4/87" ) species(name = "C7H15,n-heptyl", atoms = " C:7 H:15 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.028041360E+01, 7.015535660E-04, 1.595513470E-04, -2.095931790E-07, 8.334453180E-11, -3.603073110E+03, -1.030209400E+01] ), NASA( [ 1000.00, 6000.00], [ 1.641171070E+01, 4.036029010E-02, -1.478231880E-05, 2.444145600E-09, -1.491603740E-13, -7.763109200E+03, -5.495318280E+01] ) ) # note = "X10/83" ) species(name = "C7H16,n-heptane", atoms = " C:7 H:16 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.115324840E+01, -9.494154330E-03, 1.955711810E-04, -2.497525200E-07, 9.848732130E-11, -2.677117350E+04, -1.590961100E+01] ), NASA( [ 1000.00, 6000.00], [ 1.853547040E+01, 3.914204680E-02, -1.380302680E-05, 2.224038740E-09, -1.334525800E-13, -3.195007830E+04, -7.019028400E+01] ) ) # note = "X10/85" ) species(name = "C8H8,styrene", atoms = " C:8 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.181757690E+00, 3.348760250E-02, 6.923662530E-05, -1.244904190E-07, 5.493847350E-11, 1.560390620E+04, 2.266249800E+01] ), NASA( [ 1000.00, 6000.00], [ 1.588133340E+01, 2.683740550E-02, -9.902445610E-06, 1.637591410E-09, -9.984489720E-14, 1.008478040E+04, -6.094193190E+01] ) ) # note = "X 4/89" ) species(name = "C8H10,ethylbenz", atoms = " C:8 H:10 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.515349630E+00, 1.781456810E-02, 1.189340120E-04, -1.756397640E-07, 7.320610990E-11, 1.020385950E+03, 1.415396290E+01] ), NASA( [ 1000.00, 6000.00], [ 1.557607590E+01, 3.230645790E-02, -1.190027230E-05, 1.967925420E-09, -1.199111640E-13, -4.411575160E+03, -5.910438770E+01] ) ) # note = "X10/86" ) species(name = "C8H16,1-octene", atoms = " C:8 H:16 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.014878600E+01, 1.251075380E-03, 1.852527360E-04, -2.490941620E-07, 1.002503950E-10, -1.432674530E+04, -8.507744180E+00] ), NASA( [ 1000.00, 6000.00], [ 2.201340860E+01, 3.679721740E-02, -1.298304820E-05, 2.108546370E-09, -1.272941580E-13, -2.061098350E+04, -8.553371700E+01] ) ) # note = "X 4/87" ) species(name = "C8H17,n-octyl", atoms = " C:8 H:17 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.180825180E+01, -8.503481360E-04, 1.876977000E-04, -2.456907020E-07, 9.758130270E-11, -6.664504420E+03, -1.472984870E+01] ), NASA( [ 1000.00, 6000.00], [ 1.879680430E+01, 4.600485230E-02, -1.687901260E-05, 2.794224770E-09, -1.706638860E-13, -1.145925780E+04, -6.596222060E+01] ) ) # note = "X10/83" ) species(name = "C8H18,isooctane", atoms = " C:8 H:18 ", thermo = ( NASA( [ 200.00, 1000.00], [ 8.157373380E-01, 7.326439590E-02, 1.783006880E-05, -6.935896200E-08, 3.216293820E-11, -3.047728620E+04, 2.415099940E+01] ), NASA( [ 1000.00, 6000.00], [ 1.598992730E+01, 5.531847900E-02, -1.952670720E-05, 3.117791720E-09, -1.853125770E-13, -3.587579730E+04, -6.011614140E+01] ) ) # note = "X 4/85" ) species(name = "C8H18,n-octane", atoms = " C:8 H:18 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.252449080E+01, -1.010183650E-02, 2.219915950E-04, -2.848624200E-07, 1.124096240E-10, -2.984330340E+04, -1.971085540E+01] ), NASA( [ 1000.00, 6000.00], [ 2.217554070E+01, 4.244261610E-02, -1.491611030E-05, 2.403766730E-09, -1.443590370E-13, -3.610309440E+04, -8.808544570E+01] ) ) # note = "X 4/85" ) species(name = "C9H19,n-nonyl", atoms = " C:9 H:19 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.875648500E+00, 7.579278900E-02, 1.346243100E-05, -6.408839700E-08, 2.869417200E-11, -8.683453100E+03, 2.426224100E+01] ), NASA( [ 1000.00, 5000.00], [ 1.919526700E+01, 5.543924900E-02, -2.143660100E-05, 3.788514400E-09, -2.500298700E-13, -1.437371100E+04, -6.605628600E+01] ) ) # note = "X10/83" ) species(name = "C10H8,naphthale", atoms = " C:10 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ -1.049193260E+00, 4.629706110E-02, 7.075922030E-05, -1.384081860E-07, 6.204757480E-11, 1.598463880E+04, 3.021215710E+01] ), NASA( [ 1000.00, 6000.00], [ 1.861298990E+01, 3.044941410E-02, -1.112247990E-05, 1.816154060E-09, -1.096012240E-13, 8.915529440E+03, -8.002304790E+01] ) ) # note = "L 8/93" ) species(name = "C10H21,n-decyl", atoms = " C:10 H:21 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.089700700E+00, 8.411794900E-02, 1.590183800E-05, -7.238793400E-08, 3.226692500E-11, -1.161494100E+04, 2.528119290E+01] ), NASA( [ 1000.00, 5000.00], [ 2.132212800E+01, 6.157352400E-02, -2.384948300E-05, 4.220911600E-09, -2.788930700E-13, -1.796780900E+04, -7.564378010E+01] ) ) # note = "X10/83" ) species(name = "C12H9,o-bipheny", atoms = " C:12 H:9 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.076491560E-01, 5.427978410E-02, 7.125147010E-05, -1.444044900E-07, 6.485005750E-11, 4.853498370E+04, 2.819825150E+01] ), NASA( [ 1000.00, 6000.00], [ 2.256934210E+01, 3.456193860E-02, -1.270207880E-05, 2.081118270E-09, -1.258494800E-13, 4.059050910E+04, -9.577923900E+01] ) ) # note = "L12/84" ) species(name = "O-C12D9", atoms = " C:12 D:9 ", thermo = ( NASA( [ 300.00, 1000.00], [ -7.329939600E-01, 8.983689500E-02, -1.373127500E-05, -5.942702000E-08, 3.370243000E-11, 4.294309400E+04, 3.004195600E+01] ), NASA( [ 1000.00, 5000.00], [ 3.012319900E+01, 2.832825500E-02, -1.036654000E-05, 1.659333800E-09, -9.652711600E-14, 3.320778900E+04, -1.351913070E+02] ) ) # note = "L12/84" ) species(name = "C12H10,bipheny", atoms = " C:12 H:10 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.945661860E-01, 5.352643680E-02, 8.549967010E-05, -1.639036060E-07, 7.299772170E-11, 1.900204310E+04, 2.721512710E+01] ), NASA( [ 1000.00, 6000.00], [ 2.289648920E+01, 3.684525700E-02, -1.350162700E-05, 2.208028080E-09, -1.333582230E-13, 1.073944990E+04, -1.005101480E+02] ) ) # note = "L12/84" ) species(name = "C12D10", atoms = " C:12 D:10 ", thermo = ( NASA( [ 300.00, 1000.00], [ -1.579348600E+00, 9.505957400E-02, -1.453207100E-05, -6.264559700E-08, 3.553007900E-11, 1.313742200E+04, 3.152984100E+01] ), NASA( [ 1000.00, 5000.00], [ 3.090506000E+01, 3.034998800E-02, -1.109504800E-05, 1.775581000E-09, -1.033232700E-13, 2.883445300E+03, -1.424389370E+02] ) ) # note = "L12/84" ) species(name = "Jet-A(g)", atoms = " C:12 H:23 ", thermo = ( NASA( [ 273.15, 1000.00], [ 2.086921700E+00, 1.331496500E-01, -8.115745200E-05, 2.940928600E-08, -6.519521300E-12, -3.591281400E+04, 2.735529720E+01] ), NASA( [ 1000.00, 5000.00], [ 2.488020100E+01, 7.825004800E-02, -3.155097300E-05, 5.787890000E-09, -3.982796800E-13, -4.311068400E+04, -9.365524680E+01] ) ) # note = "L 6/88" ) species(name = "Ca", atoms = " Ca:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.063892790E+04, 4.384548330E+00] ), NASA( [ 1000.00, 6000.00], [ 1.927076230E+00, 1.349091670E-03, -1.075158620E-06, 3.254578650E-10, -2.646715380E-14, 2.081962100E+04, 7.428783980E+00] ) ) # note = "L 3/93" ) species(name = "Ca+", atoms = " Ca:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 9.232421060E+04, 5.077675030E+00] ), NASA( [ 1000.00, 6000.00], [ 2.642214380E+00, -1.605173590E-04, -2.708439660E-08, 5.135224960E-11, -5.964870480E-15, 9.225963790E+04, 4.253726280E+00] ) ) # note = "J 9/83" ) species(name = "CaBr", atoms = " Ca:1 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.851187700E+00, 3.027148100E-03, -5.509780700E-06, 4.676457100E-09, -1.495996000E-12, -7.183723900E+03, 7.778032890E+00] ), NASA( [ 1000.00, 5000.00], [ 4.321736300E+00, 4.090367400E-04, -2.454153100E-07, 6.902687400E-11, -5.368419600E-15, -7.246273200E+03, 5.676680590E+00] ) ) # note = "J12/74" ) species(name = "CaBr2", atoms = " Ca:1 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.605715700E+00, 3.605889200E-03, -5.831465000E-06, 4.263480100E-09, -1.166727800E-12, -4.838296300E+04, -6.310522810E-01] ), NASA( [ 1000.00, 5000.00], [ 7.415163900E+00, 9.654901300E-05, -4.246381600E-08, 8.228686500E-12, -5.861705700E-16, -4.853682400E+04, -4.480801620E+00] ) ) # note = "J 6/74" ) species(name = "CaCL", atoms = " Ca:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.673051500E+00, 3.314416400E-03, -5.168243500E-06, 3.711126700E-09, -9.968703100E-13, -1.378414400E+04, 7.336796410E+00] ), NASA( [ 1000.00, 5000.00], [ 4.306711600E+00, 4.008496300E-04, -2.331366100E-07, 6.392179700E-11, -4.866238300E-15, -1.389265600E+04, 4.373374210E+00] ) ) # note = "J 6/70" ) species(name = "CaCL2", atoms = " Ca:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.161336300E+00, 5.306042900E-03, -8.464946300E-06, 6.112889700E-09, -1.652236200E-12, -5.872293500E+04, -1.448297350E+00] ), NASA( [ 1000.00, 5000.00], [ 7.365001400E+00, 1.532710800E-04, -6.727528500E-08, 1.301413100E-11, -9.256796800E-16, -5.895473100E+04, -7.188520850E+00] ) ) # note = "J 6/70" ) species(name = "CaF", atoms = " Ca:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.050899000E+00, 5.154943900E-03, -7.350829600E-06, 4.787645800E-09, -1.152315500E-12, -3.379234500E+04, 8.988008870E+00] ), NASA( [ 1000.00, 5000.00], [ 4.198862100E+00, 4.924409300E-04, -2.610212300E-07, 6.479163500E-11, -4.730395100E-15, -3.402112900E+04, 3.463147570E+00] ) ) # note = "J12/68" ) species(name = "CaF2", atoms = " Ca:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.230815200E+00, 1.025580500E-02, -1.544434500E-05, 1.054679100E-08, -2.684391600E-12, -9.595526100E+04, 6.367806530E+00] ), NASA( [ 1000.00, 5000.00], [ 6.654343100E+00, 3.905269200E-04, -1.708107000E-07, 3.295284000E-11, -2.338774100E-15, -9.644527900E+04, -5.310721170E+00] ) ) # note = "J12/68" ) species(name = "CaI", atoms = " Ca:1 I:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.023910100E+00, 2.255997800E-03, -4.093983300E-06, 3.484005100E-09, -1.116299600E-12, -1.877051100E+03, 7.990310650E+00] ), NASA( [ 1000.00, 5000.00], [ 4.319847100E+00, 4.346669100E-04, -2.744192000E-07, 8.008044100E-11, -6.545160800E-15, -1.906480400E+03, 6.714802350E+00] ) ) # note = "J 6/74" ) species(name = "CaI2", atoms = " Ca:1 I:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.564172700E+00, 4.268465000E-03, -7.924758300E-06, 6.720560000E-09, -2.148546100E-12, -3.313828200E+04, 1.022092280E+00] ), NASA( [ 1000.00, 5000.00], [ 7.423866500E+00, 8.855535800E-05, -3.984689300E-08, 7.891835700E-12, -5.735265800E-16, -3.328775200E+04, -2.978445420E+00] ) ) # note = "J 6/74" ) species(name = "CaO", atoms = " Ca:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.671860200E+00, 6.432402500E-03, -9.572703000E-06, 6.762042400E-09, -1.817304900E-12, 4.273453100E+03, 9.654226790E+00] ), NASA( [ 1000.00, 5000.00], [ 9.174586500E+00, -1.064323400E-02, 7.696896800E-06, -1.907044300E-09, 1.550923100E-13, 2.324804100E+03, -2.442758250E+01] ) ) # note = "J12/74" ) species(name = "CaOH", atoms = " Ca:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.100485200E+00, 1.869515900E-02, -3.350664400E-05, 2.802563800E-08, -8.799268900E-12, -2.453091500E+04, 1.203876350E+01] ), NASA( [ 1000.00, 5000.00], [ 5.275475900E+00, 1.802562000E-03, -6.843564800E-07, 1.306019600E-10, -8.913158000E-15, -2.498468100E+04, -2.311085410E+00] ) ) # note = "J12/75" ) species(name = "CaOH+", atoms = " Ca:1 O:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.156646000E+00, 1.851867600E-02, -3.326822200E-05, 2.787222000E-08, -8.760801000E-12, 4.316839500E+04, 1.109276610E+01] ), NASA( [ 1000.00, 5000.00], [ 5.405108700E+00, 1.524500300E-03, -4.783080800E-07, 7.134721600E-11, -4.129834900E-15, 4.268593300E+04, -3.669811290E+00] ) ) # note = "J12/75" ) species(name = "CaO2H2", atoms = " Ca:1 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.322216600E+00, 3.751568200E-02, -6.799651300E-05, 5.729026300E-08, -1.808147500E-11, -7.532286300E+04, 1.248796110E+01] ), NASA( [ 1000.00, 5000.00], [ 8.858203600E+00, 2.994190900E-03, -9.321929900E-07, 1.378838600E-10, -7.911198500E-15, -7.627949600E+04, -1.713930390E+01] ) ) # note = "J12/75" ) species(name = "CaS", atoms = " Ca:1 S:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.225860080E+00, 5.306404180E-03, -8.765276390E-06, 6.426010540E-09, -1.615290350E-12, 1.373348660E+04, 8.348920800E+00] ), NASA( [ 1000.00, 5000.00], [ 5.357077520E+00, -4.183925130E-03, 4.682913750E-06, -1.407250750E-09, 1.288926680E-13, 1.347418250E+04, -1.431732100E+00] ) ) # note = "J 9/77" ) species(name = "Ca2", atoms = " Ca:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.945901100E+00, 4.306213370E-03, -3.233842270E-05, 4.516408110E-08, -1.935010710E-11, 3.961754920E+04, 2.545113150E+00] ), NASA( [ 1000.00, 6000.00], [ 3.167001990E+00, -6.168144440E-04, 2.035409600E-07, -2.771281800E-11, 1.650030460E-15, 4.043823800E+04, 1.371135090E+01] ) ) # note = "J 9/83" ) species(name = "CL", atoms = " Cl:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.260624800E+00, 1.541543990E-03, -6.802836220E-07, -1.599729750E-09, 1.154166360E-12, 1.385529860E+04, 6.570207990E+00] ), NASA( [ 1000.00, 6000.00], [ 2.946583580E+00, -3.859854080E-04, 1.361393880E-07, -2.170329230E-11, 1.287510250E-15, 1.369703270E+04, 3.113301360E+00] ) ) # note = "J 6/82" ) species(name = "CL+", atoms = " Cl:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.714353960E+00, 6.624892480E-03, -1.355230860E-05, 1.149997600E-08, -3.587605660E-12, 1.651238090E+05, 8.917395520E+00] ), NASA( [ 1000.00, 6000.00], [ 3.122860720E+00, -6.366240370E-04, 2.483379200E-07, -3.725078490E-11, 1.984336860E-15, 1.649122340E+05, 2.497313490E+00] ) ) # note = "J 6/82" ) species(name = "CL-", atoms = " Cl:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.888341320E+04, 4.200629270E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.888341320E+04, 4.200629270E+00] ) ) # note = "J 6/82" ) species(name = "CLCN", atoms = " Cl:1 C:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.339085400E+00, 1.039746800E-02, -1.370465000E-05, 9.506196200E-09, -2.592526000E-12, 1.523753900E+04, 6.831032550E+00] ), NASA( [ 1000.00, 5000.00], [ 5.492002100E+00, 2.098724800E-03, -7.741591400E-07, 1.382388200E-10, -9.233486400E-15, 1.474916100E+04, -3.730462450E+00] ) ) # note = "J 6/66" ) species(name = "CLF", atoms = " Cl:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.644556900E+00, 6.248125600E-03, -9.035435100E-06, 6.340057500E-09, -1.743537200E-12, -7.046910600E+03, 9.630428000E+00] ), NASA( [ 1000.00, 5000.00], [ 2.848623300E+00, 3.173327900E-03, -2.052338700E-06, 5.216273300E-10, -3.747226200E-14, -6.927882400E+03, 9.316996600E+00] ) ) # note = "J 6/77" ) species(name = "CLF3", atoms = " Cl:1 F:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.894911900E+00, 2.471855000E-02, -3.513932300E-05, 2.255959100E-08, -5.326197800E-12, -2.079864000E+04, 1.138169210E+01] ), NASA( [ 1000.00, 5000.00], [ 8.953596700E+00, 1.172216300E-03, -5.089618800E-07, 9.756348900E-11, -6.885873100E-15, -2.207596800E+04, -1.808155490E+01] ) ) # note = "J 9/65" ) species(name = "CLO", atoms = " Cl:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.817936400E+00, 4.453133300E-03, -4.412489300E-06, 1.592094200E-09, -1.448624200E-14, 1.117139700E+04, 1.005798230E+01] ), NASA( [ 1000.00, 5000.00], [ 4.091261900E+00, 5.000312600E-04, -1.877820600E-07, 3.509767100E-11, -2.420503800E-15, 1.085322300E+04, 3.618892440E+00] ) ) # note = "J 6/61" ) species(name = "CLO2", atoms = " Cl:1 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.293386140E+00, 6.193113370E-03, 1.056853720E-06, -8.161912540E-09, 4.346946000E-12, 1.137607760E+04, 1.030170240E+01] ), NASA( [ 1000.00, 6000.00], [ 5.766476810E+00, 1.411325060E-03, -5.437140310E-07, 1.007342950E-10, -6.435437620E-15, 1.063241820E+04, -2.865600820E+00] ) ) # note = "L 7/93" ) species(name = "CL2", atoms = " Cl:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.736381140E+00, 7.835257000E-03, -1.451049630E-05, 1.257308340E-08, -4.132471450E-12, -1.058801140E+03, 9.445558790E+00] ), NASA( [ 1000.00, 6000.00], [ 4.747275080E+00, -4.885817100E-04, 2.684448710E-07, -2.434760830E-11, -1.036831480E-15, -1.511018620E+03, -3.445513050E-01] ) ) # note = "TPIS89" ) species(name = "CL2O", atoms = " Cl:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.254523800E+00, 1.279944900E-02, -1.788246000E-05, 1.126438300E-08, -2.596425200E-12, 9.165742300E+03, 1.057121060E+01] ), NASA( [ 1000.00, 5000.00], [ 6.434006200E+00, 6.272880900E-04, -2.693325200E-07, 5.107639400E-11, -3.569154500E-15, 8.486053000E+03, -4.936724070E+00] ) ) # note = "J12/65" ) species(name = "Cr", atoms = " Cr:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.502593710E+00, -2.765601700E-05, 1.039740950E-07, -1.619964060E-10, 8.893919850E-14, 4.706002370E+04, 6.711072100E+00] ), NASA( [ 1000.00, 6000.00], [ 3.084977520E+00, -1.447036830E-03, 1.084921940E-06, -2.356436350E-10, 1.863558160E-14, 4.689282020E+04, 3.659139140E+00] ) ) # note = "J 6/79" ) species(name = "CrN", atoms = " Cr:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.930463600E+00, 3.037704200E-03, -1.271396400E-06, -1.178124900E-09, 8.555134900E-13, 5.974420300E+04, 1.019188120E+01] ), NASA( [ 1000.00, 5000.00], [ 3.864960200E+00, 8.516045600E-04, -4.407075800E-07, 1.066760100E-10, -8.373142200E-15, 5.947743700E+04, 5.295067570E+00] ) ) # note = "J12/73" ) species(name = "CrO", atoms = " Cr:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.841499600E+00, 4.095335800E-03, -3.577646300E-06, 8.171043900E-10, 2.407200900E-13, 2.164606700E+04, 1.151799220E+01] ), NASA( [ 1000.00, 5000.00], [ 4.013981800E+00, 6.270024500E-04, -2.795679400E-07, 6.000310000E-11, -4.405791600E-15, 2.134669300E+04, 5.551715100E+00] ) ) # note = "J12/73" ) species(name = "CrO2", atoms = " Cr:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.301264500E+00, 8.162585700E-03, -5.890768000E-06, 1.617085600E-11, 1.081626700E-12, -1.035356900E+04, 1.139911380E+01] ), NASA( [ 1000.00, 5000.00], [ 5.849999800E+00, 1.272510100E-03, -5.492054800E-07, 1.049749100E-10, -7.399548600E-15, -1.104218300E+04, -1.744976320E+00] ) ) # note = "J12/73" ) species(name = "CrO3", atoms = " Cr:1 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.907285800E+00, 2.304960800E-02, -2.650129400E-05, 1.286241300E-08, -1.838199100E-12, -3.660868000E+04, 1.534514150E+01] ), NASA( [ 1000.00, 5000.00], [ 8.162894600E+00, 2.045083900E-03, -8.859413100E-07, 1.697628200E-10, -1.198776500E-14, -3.809255700E+04, -1.589589450E+01] ) ) # note = "J12/73" ) species(name = "Cs", atoms = " Cs:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500045540E+00, -4.668333560E-07, 1.680050610E-09, -2.482180290E-12, 1.277121900E-15, 8.455404360E+03, 6.875735390E+00] ), NASA( [ 1000.00, 6000.00], [ 2.820233150E+00, -3.348403270E-04, -9.829157090E-08, 1.275643690E-10, -1.461192710E-14, 8.306393540E+03, 5.008940420E+00] ) ) # note = "L 3/93" ) species(name = "Cs+", atoms = " Cs:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 5.438739890E+04, 6.182757560E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 5.438739890E+04, 6.182757560E+00] ) ) # note = "J12/83" ) species(name = "CsCL", atoms = " Cs:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.182303000E+00, 1.375955300E-03, -2.058693300E-06, 1.483647400E-09, -3.976454600E-13, -3.017792700E+04, 6.638487880E+00] ), NASA( [ 1000.00, 5000.00], [ 4.479845500E+00, 1.094916400E-04, -3.998991400E-09, 2.064199500E-13, 2.218464000E-17, -3.023580900E+04, 5.217317080E+00] ) ) # note = "J 6/68" ) species(name = "CsF", atoms = " Cs:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.744987900E+00, 3.010051600E-03, -4.588381600E-06, 3.217969400E-09, -8.378601700E-13, -4.409069600E+04, 7.194873150E+00] ), NASA( [ 1000.00, 5000.00], [ 4.437330900E+00, 1.271500000E-04, -2.054765000E-08, 2.981335700E-12, -1.477424500E-16, -4.422799500E+04, 3.873555850E+00] ) ) # note = "J 6/68" ) species(name = "CsO", atoms = " Cs:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.985741900E+00, 2.127925100E-03, -3.217025500E-06, 2.276429500E-09, -5.972197600E-13, 6.289894000E+03, 7.516022590E+00] ), NASA( [ 1000.00, 5000.00], [ 4.466028200E+00, 1.156323200E-04, -5.998918700E-09, 1.317669900E-13, 5.763974500E-17, 6.195030900E+03, 5.214548690E+00] ) ) # note = "J12/68" ) species(name = "CsOH", atoms = " Cs:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.548600300E+00, 7.961233300E-03, -1.332649700E-05, 1.031423400E-08, -2.897377700E-12, -3.281089000E+04, 2.861879690E+00] ), NASA( [ 1000.00, 5000.00], [ 5.700564900E+00, 1.182038400E-03, -3.193909400E-07, 3.864291700E-11, -1.663563600E-15, -3.291920500E+04, -2.118700210E+00] ) ) # note = "J 6/71" ) species(name = "CsOH+", atoms = " Cs:1 O:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.848715800E+00, 6.890834600E-03, -1.183932800E-05, 9.433537200E-09, -2.722268500E-12, 5.167816700E+04, 3.084848510E+00] ), NASA( [ 1000.00, 5000.00], [ 5.729256300E+00, 1.157132400E-03, -3.104443100E-07, 3.709629100E-11, -1.550946300E-15, 5.162648300E+04, -5.764822180E-01] ) ) # note = "J12/71" ) species(name = "Cs2", atoms = " Cs:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.745882250E+00, -2.638628190E-03, 1.141393050E-05, -1.604305000E-08, 6.561122940E-12, 1.154448560E+04, 7.606792720E+00] ), NASA( [ 1000.00, 6000.00], [ 6.866451780E+00, -3.990143260E-03, 1.319480840E-06, -1.634131860E-10, 6.881259080E-15, 1.080542930E+04, -4.297494650E+00] ) ) # note = "J12/83" ) species(name = "Cs2CL2", atoms = " Cs:2 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 9.295264200E+00, 2.850560000E-03, -4.557601900E-06, 3.255773100E-09, -8.606736200E-13, -8.222286200E+04, -7.518353320E+00] ), NASA( [ 1000.00, 5000.00], [ 9.942437500E+00, 6.265930300E-05, -2.633109700E-08, 4.891214200E-12, -3.355415200E-16, -8.234585500E+04, -1.059806040E+01] ) ) # note = "J 6/68" ) species(name = "Cs2F2", atoms = " Cs:2 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 8.442556100E+00, 6.492100100E-03, -1.083275700E-05, 8.179105400E-09, -2.317397800E-12, -1.097816500E+05, -7.248244850E+00] ), NASA( [ 1000.00, 5000.00], [ 9.879372500E+00, 1.267482900E-04, -5.090525300E-08, 8.971176200E-12, -5.809096000E-16, -1.100505700E+05, -1.405482170E+01] ) ) # note = "J 6/68" ) species(name = "Cs2O", atoms = " Cs:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.755363900E+00, 4.911607300E-03, -7.707251800E-06, 5.415695700E-09, -1.408089800E-12, -1.294682900E+04, 4.300154610E+00] ), NASA( [ 1000.00, 5000.00], [ 6.897946700E+00, 1.016509800E-04, -3.806206200E-08, 6.146639300E-12, -3.575821600E-16, -1.316998900E+04, -1.165916890E+00] ) ) # note = "J12/68" ) species(name = "Cs2O2H2", atoms = " Cs:2 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.522819100E+00, 7.907837200E-03, 3.543029900E-06, -1.045632800E-08, 4.801403200E-12, -8.533841200E+04, -1.906633110E+00] ), NASA( [ 1000.00, 5000.00], [ 9.580936200E+00, 5.326050900E-03, -1.878054500E-06, 3.092592500E-10, -1.942953300E-14, -8.602583900E+04, -1.321459430E+01] ) ) # note = "J 6/71" ) species(name = "Cs2SO4", atoms = " Cs:2 S:1 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.296538500E+00, 4.485430000E-02, -6.098792300E-05, 4.051638800E-08, -1.067349500E-11, -1.378255900E+05, 1.340963710E+01] ), NASA( [ 1000.00, 5000.00], [ 1.541904500E+01, 4.052765000E-03, -1.791034100E-06, 3.502465300E-10, -2.521573600E-14, -1.403677500E+05, -4.149218490E+01] ) ) # note = "J 6/79" ) species(name = "Cu", atoms = " Cu:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500065970E+00, -6.773064120E-07, 2.441168180E-09, -3.613147580E-12, 1.863032240E-15, 3.985833580E+04, 5.768846040E+00] ), NASA( [ 1000.00, 6000.00], [ 3.135225950E+00, -1.133375470E-03, 5.720230410E-07, -7.663261770E-11, 2.838814660E-15, 3.961772400E+04, 2.253319440E+00] ) ) # note = "J 9/84" ) species(name = "Cu+", atoms = " Cu:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.302637880E+05, 1.249412090E+01] ), NASA( [ 1000.00, 6000.00], [ 2.499817540E+00, 3.579221460E-07, -2.217698480E-10, 4.869379180E-14, -2.390196100E-18, 1.302638540E+05, 1.249511860E+01] ) ) # note = "J 9/84" ) species(name = "CuCL", atoms = " Cu:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.349160000E+00, 5.102830200E-03, -9.127800200E-06, 7.601415500E-09, -2.398448900E-12, 9.796756200E+03, 8.269473040E+00] ), NASA( [ 1000.00, 5000.00], [ 4.390298800E+00, 1.834948400E-04, -5.711070300E-08, 1.129332100E-11, -8.197552000E-16, 9.609726600E+03, 3.392165140E+00] ) ) # note = "J 3/66" ) species(name = "CuF", atoms = " Cu:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.765450500E+00, 6.851180500E-03, -1.133881900E-05, 8.909657800E-09, -2.692769200E-12, -2.554856500E+03, 9.872774110E+00] ), NASA( [ 1000.00, 5000.00], [ 4.122739900E+00, 6.316346300E-04, -3.347282000E-07, 8.083736700E-11, -5.783481700E-15, -2.800595300E+03, 3.485645710E+00] ) ) # note = "J12/77" ) species(name = "CuF2", atoms = " Cu:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.110769600E+00, 1.432580700E-02, -2.281174300E-05, 1.727889300E-08, -5.072697700E-12, -3.350045300E+04, 1.099956980E+01] ), NASA( [ 1000.00, 5000.00], [ 6.818423600E+00, -1.649790800E-04, 2.029177400E-07, -2.545311300E-11, 1.206573200E-16, -3.432274400E+04, -7.128629210E+00] ) ) # note = "J12/77" ) species(name = "CuO", atoms = " Cu:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.709352000E+00, 3.196505900E-03, -5.297010900E-06, 4.216423800E-09, -1.289185500E-12, 3.562747000E+04, 6.331400790E+00] ), NASA( [ 1000.00, 5000.00], [ 4.272362500E+00, 4.471327600E-04, -2.395697900E-07, 6.040531600E-11, -4.245601600E-15, 3.553534900E+04, 3.727018890E+00] ) ) # note = "J12/77" ) species(name = "Cu2", atoms = " Cu:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.924435800E+00, 2.727494900E-03, -4.919495600E-06, 4.182196500E-09, -1.339353300E-12, 5.711918700E+04, 6.083808290E+00] ), NASA( [ 1000.00, 5000.00], [ 4.423973400E+00, 2.024895200E-04, -6.448979300E-08, 1.406541200E-11, -7.602049400E-16, 5.703813100E+04, 3.785355790E+00] ) ) # note = "J 9/66" ) species(name = "Cu3CL3", atoms = " Cu:3 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.144290000E+01, 2.069080600E-02, -3.826400300E-05, 3.234105300E-08, -1.030988400E-11, -3.515161000E+04, -1.826878650E+01] ), NASA( [ 1000.00, 5000.00], [ 1.562612700E+01, 4.337383300E-04, -1.946700600E-07, 3.846693800E-11, -2.789970000E-15, -3.588185300E+04, -3.775233450E+01] ) ) # note = "J 3/66" ) species(name = "D", atoms = " D:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.592125960E+04, 5.917158270E-01] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.592125960E+04, 5.917158270E-01] ) ) # note = "J 3/82" ) species(name = "D+", atoms = " D:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.845119640E+05, -1.018389040E-01] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.845119640E+05, -1.018389040E-01] ) ) # note = "J 3/82" ) species(name = "D-", atoms = " D:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.642376670E+04, -1.010239120E-01] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.642376670E+04, -1.010239120E-01] ) ) # note = "J 3/82" ) species(name = "DCL", atoms = " D:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.826921300E+00, -2.501332600E-03, 6.046612400E-06, -4.483751900E-09, 1.136764100E-12, -1.230192100E+04, 1.891777840E+00] ), NASA( [ 1000.00, 5000.00], [ 2.957203400E+00, 1.591816000E-03, -6.332027200E-07, 1.175565800E-10, -8.159991100E-15, -1.217351500E+04, 5.898796740E+00] ) ) # note = "J 6/77" ) species(name = "DF", atoms = " D:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.498138600E+00, 2.217679300E-04, -1.332024000E-06, 2.561949300E-09, -1.151224100E-12, -3.418323200E+04, 1.655078610E+00] ), NASA( [ 1000.00, 5000.00], [ 2.726462000E+00, 1.509129300E-03, -5.170493800E-07, 8.548537100E-11, -5.419602400E-15, -3.393694000E+04, 5.829819810E+00] ) ) # note = "J 6/77" ) species(name = "DOCL", atoms = " D:1 O:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.479041800E+00, 1.084589600E-02, -1.522830500E-05, 1.143731400E-08, -3.420492500E-12, -1.051809200E+04, 1.212671070E+01] ), NASA( [ 1000.00, 5000.00], [ 4.435076100E+00, 2.532238700E-03, -1.031233100E-06, 1.900545400E-10, -1.268238400E-14, -1.091940200E+04, 2.727159690E+00] ) ) # note = "J 3/79" ) species(name = "D2", atoms = " D:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.495469740E+00, 2.583481590E-04, -1.317625020E-06, 2.429120180E-09, -1.059824980E-12, -1.046315800E+03, -2.519053850E+00] ), NASA( [ 1000.00, 6000.00], [ 2.730689290E+00, 1.480047810E-03, -4.793148480E-07, 7.894962740E-11, -4.883808230E-15, -7.952675040E+02, 1.642662430E+00] ) ) # note = "TPIS89" ) species(name = "D2+", atoms = " D:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.807514000E+00, -3.110626000E-03, 1.016298200E-05, -9.836327100E-09, 3.265985300E-12, 1.791709600E+05, -2.286628250E+00] ), NASA( [ 1000.00, 5000.00], [ 3.589180000E+00, 8.921465100E-04, -2.426448400E-07, 5.758440900E-11, -6.738056000E-15, 1.790375200E+05, -2.058178850E+00] ) ) # note = "J 9/77" ) species(name = "D2-", atoms = " D:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.214480000E+00, 7.835816500E-04, 3.589268500E-06, -5.239419000E-09, 2.087136500E-12, 2.729300900E+04, 3.681558370E-01] ), NASA( [ 1000.00, 5000.00], [ 3.753104200E+00, 9.801899100E-04, -3.638796000E-07, 7.070048200E-11, -5.067427200E-15, 2.706470800E+04, -2.819551720E+00] ) ) # note = "J 9/77" ) species(name = "D2O", atoms = " D:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.854113100E+00, 1.471228800E-04, 3.006900600E-06, -1.774762800E-09, 2.301886200E-13, -3.115165100E+04, 1.733419840E+00] ), NASA( [ 1000.00, 5000.00], [ 2.726459500E+00, 3.984517300E-03, -1.493262600E-06, 2.634977200E-10, -1.764955700E-14, -3.090263800E+04, 7.318201340E+00] ) ) # note = "J 6/77" ) species(name = "D2S", atoms = " D:2 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.807082400E+00, 3.759631100E-04, 5.753079900E-06, -5.348574000E-09, 1.405408300E-12, -4.066121900E+03, 3.879287490E+00] ), NASA( [ 1000.00, 5000.00], [ 3.666290100E+00, 3.499226400E-03, -1.420728400E-06, 2.668563900E-10, -1.868473900E-14, -4.214730800E+03, 3.799699690E+00] ) ) # note = "J 6/77" ) species(name = "F", atoms = " F:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.419514290E+00, 2.941327930E-03, -8.927992460E-06, 9.920609350E-09, -3.798600440E-12, 8.757323510E+03, 4.747710420E+00] ), NASA( [ 1000.00, 6000.00], [ 2.667495410E+00, -1.666935480E-04, 6.424484570E-08, -1.085887580E-11, 6.708457550E-16, 8.788953500E+03, 4.007291980E+00] ) ) # note = "J 6/82" ) species(name = "F+", atoms = " F:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.084210840E+00, -9.000621390E-04, -1.645991740E-07, 1.101213360E-09, -5.562709200E-13, 2.116191010E+05, 2.145976530E+00] ), NASA( [ 1000.00, 6000.00], [ 2.688348610E+00, -1.761829610E-04, 6.069406390E-08, -8.915300670E-12, 5.475521670E-16, 2.117440950E+05, 4.274808380E+00] ) ) # note = "J 6/82" ) species(name = "F-", atoms = " F:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.142415220E+04, 3.264882850E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.142415220E+04, 3.264882850E+00] ) ) # note = "J 6/82" ) species(name = "FCN", atoms = " F:1 C:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.251694100E+00, 8.307314400E-03, -8.366635800E-06, 4.412564400E-09, -9.088242300E-13, 3.055119800E+03, 6.442147740E+00] ), NASA( [ 1000.00, 5000.00], [ 5.089855700E+00, 2.417068400E-03, -9.768276600E-07, 1.781344200E-10, -1.211856700E-14, 2.578078100E+03, -2.872780960E+00] ) ) # note = "J 6/69" ) species(name = "FO", atoms = " F:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.968002400E+00, 2.648339300E-03, -3.736800500E-07, -1.900622500E-09, 1.061428300E-12, 1.208784400E+04, 8.393497470E+00] ), NASA( [ 1000.00, 5000.00], [ 3.919277400E+00, 7.044234500E-04, -2.664820400E-07, 4.961759900E-11, -3.368857100E-15, 1.179819300E+04, 3.328758370E+00] ) ) # note = "J12/66" ) species(name = "FO2", atoms = " F:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.780507300E+00, 6.817459500E-03, -5.813360500E-06, 1.756250400E-09, 6.775743000E-14, 1.276946800E+02, 7.835682970E+00] ), NASA( [ 1000.00, 5000.00], [ 5.704093500E+00, 1.386288900E-03, -5.835537400E-07, 1.093721400E-10, -7.586918100E-15, -3.967867800E+02, -2.067917330E+00] ) ) # note = "J 9/66" ) species(name = "F2", atoms = " F:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.208324150E+00, 1.259191790E-03, 3.897479790E-06, -7.221849840E-09, 3.318378620E-12, -1.034257940E+03, 5.619035890E+00] ), NASA( [ 1000.00, 6000.00], [ 3.861662190E+00, 7.883676790E-04, -1.819829400E-07, -9.174365600E-12, 2.651934720E-15, -1.232386550E+03, 2.041198550E+00] ) ) # note = "TPIS89" ) species(name = "F2O", atoms = " F:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.610921900E+00, 1.223128000E-02, -1.344141500E-05, 5.890941200E-09, -5.748717500E-13, 1.734719600E+03, 1.178788180E+01] ), NASA( [ 1000.00, 5000.00], [ 6.005187100E+00, 1.102840200E-03, -4.754793700E-07, 9.068314500E-11, -6.375709800E-15, 9.190606500E+02, -5.222105810E+00] ) ) # note = "J12/69" ) species(name = "FS2F,fluorodisu", atoms = " F:2 S:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.226646820E+00, 3.281252040E-02, -5.927970210E-05, 5.023312800E-08, -1.625990190E-11, -4.215380190E+04, 1.512394280E+01] ), NASA( [ 1000.00, 6000.00], [ 9.114914040E+00, 9.255497880E-04, -3.669728590E-07, 6.314898990E-11, -3.948777640E-15, -4.344485610E+04, -1.736857740E+01] ) ) # note = "J 6/76" ) species(name = "Fe", atoms = " Fe:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.707444280E+00, 1.063392240E-02, -2.761181710E-05, 2.809178540E-08, -1.012198240E-11, 4.918437250E+04, 9.808110990E+00] ), NASA( [ 1000.00, 6000.00], [ 3.261979700E+00, -1.055825330E-03, 5.929069980E-07, -1.071894550E-10, 7.480644020E-15, 4.909698730E+04, 3.524438940E+00] ) ) # note = "J 3/78" ) species(name = "Fe+", atoms = " Fe:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.764181060E+00, 2.869482380E-03, -7.612356510E-06, 8.181833340E-09, -3.117921990E-12, 1.411590390E+05, 5.539979810E+00] ), NASA( [ 1000.00, 6000.00], [ 3.336023990E+00, -2.725492620E-04, 8.054403440E-09, 1.512290890E-11, -1.433765950E-15, 1.410364550E+05, 2.864769680E+00] ) ) # note = "J 6/84" ) species(name = "Fe-", atoms = " Fe:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.521745100E+00, 9.796731930E-03, -2.110786700E-05, 1.848209030E-08, -5.895371340E-12, 4.657102150E+04, 1.086833850E+01] ), NASA( [ 1000.00, 6000.00], [ 3.363105860E+00, -8.293750420E-04, 3.124262410E-07, -5.200683550E-11, 3.178752410E-15, 4.635643070E+04, 2.768024210E+00] ) ) # note = "J 6/84" ) species(name = "FeC5O5", atoms = " Fe:1 C:5 O:5 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.606546000E+00, 7.504212900E-02, -1.220127500E-04, 1.005537800E-07, -3.226097300E-11, -9.195143800E+04, -2.576006210E+00] ), NASA( [ 1000.00, 5000.00], [ 2.116402100E+01, 1.033310300E-02, -4.331093600E-06, 8.204749700E-10, -5.777387400E-14, -9.488893400E+04, -7.207365200E+01] ) ) # note = "J 3/78" ) species(name = "FeCL", atoms = " Fe:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.788582600E+00, 4.367801100E-03, -6.692232800E-06, 4.170745400E-09, -8.468677300E-13, 2.892009700E+04, 8.353367560E+00] ), NASA( [ 1000.00, 5000.00], [ 4.694066900E+00, 1.160407800E-04, -2.084017500E-08, -1.762655600E-12, 5.231381400E-16, 2.879034400E+04, 4.193555060E+00] ) ) # note = "J 6/65" ) species(name = "FeCL2", atoms = " Fe:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.455750500E+00, 7.963292700E-03, -1.259396400E-05, 8.997673400E-09, -2.324236300E-12, -1.884429700E+04, 3.022842190E+00] ), NASA( [ 1000.00, 5000.00], [ 6.949260100E+00, 5.337164100E-04, 7.022120700E-08, -6.147549000E-11, 6.793314300E-15, -1.904583200E+04, -3.759514410E+00] ) ) # note = "J12/70" ) species(name = "FeCL3", atoms = " Fe:1 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.561487300E+00, 9.733824900E-03, -1.554330500E-05, 1.118636800E-08, -3.002299800E-12, -3.301362400E+04, -3.985832030E+00] ), NASA( [ 1000.00, 5000.00], [ 9.777110600E+00, 2.442136200E-04, -1.031399400E-07, 1.920742600E-11, -1.317929900E-15, -3.343957000E+04, -1.454914630E+01] ) ) # note = "J 6/65" ) species(name = "FeO", atoms = " Fe:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.824525600E+00, 4.304920700E-03, -4.108478100E-06, 1.320118900E-09, 7.131621700E-14, 2.919403500E+04, 1.189117600E+01] ), NASA( [ 1000.00, 5000.00], [ 4.204981700E+00, 2.683845200E-04, -8.942673600E-08, 3.185591100E-11, -3.392254300E-15, 2.882917000E+04, 4.830431590E+00] ) ) # note = "J 9/66" ) species(name = "Fe(OH)2", atoms = " Fe:1 O:2 H:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ -1.676677340E+00, 6.169314640E-02, -1.207389950E-04, 1.098140260E-07, -3.728568310E-11, -4.112897080E+04, 2.967717100E+01] ), NASA( [ 1000.00, 6000.00], [ 8.962620120E+00, 4.201373420E-03, -1.610174430E-06, 2.683470760E-10, -1.634973050E-14, -4.279943580E+04, -1.869123670E+01] ) ) # note = "J12/66" ) species(name = "Fe2CL4", atoms = " Fe:2 Cl:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.273824200E+01, 1.323555800E-02, -2.164187300E-05, 1.599366700E-08, -4.350709700E-12, -5.610657900E+04, -1.982474910E+01] ), NASA( [ 1000.00, 5000.00], [ 1.535750000E+01, 6.420786100E-04, 2.081773000E-08, -5.158055900E-11, 6.067349500E-15, -5.651003700E+04, -3.189658710E+01] ) ) # note = "J12/70" ) species(name = "Fe2CL6", atoms = " Fe:2 Cl:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.422118080E+01, 4.354859680E-02, -9.603901880E-05, 9.374630810E-08, -3.360516260E-11, -8.419962650E+04, -2.592446940E+01] ), NASA( [ 1000.00, 6000.00], [ 2.156450310E+01, 4.623490150E-04, -1.849520780E-07, 3.201430430E-11, -2.010027370E-15, -8.524323750E+04, -5.865381850E+01] ) ) # note = "J 6/65" ) species(name = "H", atoms = " H:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.547365990E+04, -4.466828530E-01] ), NASA( [ 1000.00, 6000.00], [ 2.500002860E+00, -5.653342140E-09, 3.632517230E-12, -9.199497200E-16, 7.952607460E-20, 2.547365890E+04, -4.466984940E-01] ) ) # note = "L 5/93" ) species(name = "H+", atoms = " H:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.840214280E+05, -1.140644530E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.840214280E+05, -1.140644530E+00] ) ) # note = "L 7/88" ) species(name = "H-", atoms = " H:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.597616700E+04, -1.139015980E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.597616700E+04, -1.139015980E+00] ) ) # note = "L/7/88" ) species(name = "HALO", atoms = " H:1 Al:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.292211590E+00, -2.682003990E-03, 2.868412920E-05, -3.797088660E-08, 1.540203500E-11, 2.977710500E+03, 6.961609700E+00] ), NASA( [ 1000.00, 6000.00], [ 5.090753390E+00, 2.425141170E-03, -9.399329460E-07, 1.593910040E-10, -9.867473170E-15, 2.050094590E+03, -4.614507910E+00] ) ) # note = "J 3/64" ) species(name = "HBO", atoms = " H:1 B:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.214310600E+00, 9.371851300E-03, -1.071107400E-05, 7.676977400E-09, -2.358637100E-12, -2.484924600E+04, 9.372016770E+00] ), NASA( [ 1000.00, 5000.00], [ 3.748518100E+00, 3.661085900E-03, -1.463540900E-06, 2.651990300E-10, -1.783427500E-14, -2.522579800E+04, 1.746477570E+00] ) ) # note = "J12/75" ) species(name = "HBO+", atoms = " H:1 B:1 O:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.254428300E+00, 8.030187200E-03, -5.974907200E-06, 2.428195000E-09, -4.305112400E-13, 1.418506900E+05, 1.081220760E+01] ), NASA( [ 1000.00, 5000.00], [ 3.947508000E+00, 3.431543600E-03, -1.278708400E-06, 2.218060400E-10, -1.475719200E-14, 1.413599800E+05, 1.998895970E+00] ) ) # note = "J12/75" ) species(name = "HBO-", atoms = " H:1 B:1 O:1 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.970795500E+00, -2.210010700E-03, 1.453541300E-05, -1.563892500E-08, 5.397896600E-12, -3.058949900E+04, 4.824969670E+00] ), NASA( [ 1000.00, 5000.00], [ 4.086926500E+00, 2.978475600E-03, -1.238710700E-06, 2.469333500E-10, -1.845504800E-14, -3.093002600E+04, 2.780142470E+00] ) ) # note = "J12/75" ) species(name = "HBO2", atoms = " H:1 B:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.870786600E+00, 7.886264400E-03, -4.073684200E-07, -4.705902200E-09, 2.354889300E-12, -6.862411100E+04, 1.018051860E+01] ), NASA( [ 1000.00, 5000.00], [ 4.738951900E+00, 4.771877100E-03, -1.806349400E-06, 3.149288900E-10, -2.073831200E-14, -6.924883800E+04, 9.863917670E-03] ) ) # note = "J12/64" ) species(name = "HBS", atoms = " H:1 B:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.559590300E+00, 1.396683800E-02, -1.798859500E-05, 1.231514100E-08, -3.409095700E-12, 5.089093600E+03, 1.350189860E+01] ), NASA( [ 1000.00, 5000.00], [ 4.441226500E+00, 2.997982500E-03, -1.193823000E-06, 2.119583200E-10, -1.346609700E-14, 4.440297500E+03, -6.467831740E-01] ) ) # note = "J12/75" ) species(name = "HBS+", atoms = " H:1 B:1 S:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.251156100E+00, 1.207716800E-02, -1.532215600E-05, 1.049409000E-08, -2.932529200E-12, 1.347547600E+05, 1.127076990E+01] ), NASA( [ 1000.00, 5000.00], [ 4.709754200E+00, 2.818703600E-03, -1.163308800E-06, 2.176883900E-10, -1.510868600E-14, 1.341913900E+05, -8.374721460E-01] ) ) # note = "J12/75" ) species(name = "HBr", atoms = " H:1 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.605669000E+00, -5.952943100E-04, 6.502956800E-07, 9.378121900E-10, -7.114185200E-13, -5.438945500E+03, 3.496341130E+00] ), NASA( [ 1000.00, 5000.00], [ 2.793580400E+00, 1.565592500E-03, -5.617106400E-07, 9.578314200E-11, -6.181399000E-15, -5.233838400E+03, 7.655534030E+00] ) ) # note = "J 9/65" ) species(name = "HCN", atoms = " H:1 C:1 N:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.259011230E+00, 1.005105910E-02, -1.335149110E-05, 1.009208820E-08, -3.008820480E-12, 1.521584950E+04, 8.916345900E+00] ), NASA( [ 1000.00, 6000.00], [ 3.802317330E+00, 3.146300090E-03, -1.063156980E-06, 1.661853950E-10, -9.798917890E-15, 1.491048290E+04, 1.575035840E+00] ) ) # note = "L 7/88" ) species(name = "HCO", atoms = " H:1 C:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08, 4.337688650E-12, 3.839564960E+03, 3.394372430E+00] ), NASA( [ 1000.00, 6000.00], [ 3.648962090E+00, 3.080908190E-03, -1.124298760E-06, 1.863080850E-10, -1.139518280E-14, 3.712090480E+03, 5.061474060E+00] ) ) # note = "L12/89" ) species(name = "HCO+", atoms = " H:1 C:1 O:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.473973600E+00, 8.671559000E-03, -1.003150000E-05, 6.717052700E-09, -1.787267400E-12, 9.914660800E+04, 8.175711870E+00] ), NASA( [ 1000.00, 5000.00], [ 3.741188000E+00, 3.344151700E-03, -1.239712100E-06, 2.118938800E-10, -1.370415000E-14, 9.888407800E+04, 2.078613570E+00] ) ) # note = "J12/70" ) species(name = "HCCN", atoms = " H:1 C:2 N:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.871843070E+00, 2.606113140E-02, -4.627239650E-05, 4.186097310E-08, -1.453527050E-11, 7.203403600E+04, 1.221732280E+01] ), NASA( [ 1000.00, 6000.00], [ 6.563141690E+00, 3.480409670E-03, -1.246030800E-06, 2.007644860E-10, -1.200445470E-14, 7.113470860E+04, -9.865561410E+00] ) ) # note = "TPIS91" ) species(name = "HCL", atoms = " H:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.524817100E+00, 2.998486200E-05, -8.622189100E-07, 2.097972100E-09, -9.865819100E-13, -1.215050900E+04, 2.408923590E+00] ), NASA( [ 1000.00, 5000.00], [ 2.766588400E+00, 1.438188300E-03, -4.699300000E-07, 7.349940800E-11, -4.373110600E-15, -1.191746800E+04, 6.471506290E+00] ) ) # note = "J 9/64" ) species(name = "HD", atoms = " H:1 D:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.432547700E+00, 6.510702800E-04, -1.933266600E-06, 2.410173600E-09, -8.673239700E-13, -1.000927200E+03, -2.389022470E+00] ), NASA( [ 1000.00, 5000.00], [ 2.846454400E+00, 1.063196100E-03, -2.443380500E-07, 2.905083400E-11, -1.162153100E-15, -7.618246500E+02, 9.801439970E-01] ) ) # note = "J 6/77" ) species(name = "HD+", atoms = " H:1 D:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.882713600E+00, -3.077938100E-03, 8.191447300E-06, -6.811949900E-09, 1.985989800E-12, 1.789456300E+05, -2.803359780E+00] ), NASA( [ 1000.00, 5000.00], [ 3.290976400E+00, 1.155152900E-03, -3.444946300E-07, 7.672268200E-11, -8.094813300E-15, 1.789427900E+05, -4.786072120E-01] ) ) # note = "J 9/77" ) species(name = "HD-", atoms = " H:1 D:1 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.642887700E+00, -2.129128900E-03, 8.928412300E-06, -9.348120400E-09, 3.256497100E-12, 2.726927100E+04, -2.255626610E+00] ), NASA( [ 1000.00, 5000.00], [ 3.493994900E+00, 1.244866700E-03, -4.728871400E-07, 9.105963700E-11, -6.486292600E-15, 2.715773400E+04, -2.231104610E+00] ) ) # note = "J 9/77" ) species(name = "HDO", atoms = " H:1 D:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.075442200E+00, -1.382028500E-03, 5.702553400E-06, -4.416364600E-09, 1.226306200E-12, -3.070760800E+04, 9.710681270E-01] ), NASA( [ 1000.00, 5000.00], [ 2.667268800E+00, 3.557520900E-03, -1.202600300E-06, 1.960720900E-10, -1.235262000E-14, -3.037286900E+04, 7.983599260E+00] ) ) # note = "J 6/77" ) species(name = "HF", atoms = " H:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.437998600E+00, 5.357159800E-04, -1.522965500E-06, 1.756449100E-09, -5.786994000E-13, -3.381897200E+04, 1.206181770E+00] ), NASA( [ 1000.00, 5000.00], [ 2.991911000E+00, 7.148947500E-04, -6.863097300E-08, -1.161713000E-11, 1.941237500E-15, -3.362136400E+04, 3.825495270E+00] ) ) # note = "J 6/77" ) species(name = "HI", atoms = " H:1 I:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.696372200E+00, -1.422475500E-03, 3.013118800E-06, -1.266640300E-09, -3.509876500E-14, 2.107358100E+03, 4.088121110E+00] ), NASA( [ 1000.00, 5000.00], [ 2.910400800E+00, 1.568818800E-03, -5.922763200E-07, 1.053709400E-10, -7.037511600E-15, 2.250865900E+03, 7.864470510E+00] ) ) # note = "J 9/61" ) species(name = "HNC", atoms = " H:1 N:1 C:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.301867350E+00, 1.541575290E-02, -3.132621560E-05, 3.088165510E-08, -1.119123530E-11, 2.222771830E+04, 8.147511350E+00] ), NASA( [ 1000.00, 6000.00], [ 4.222481030E+00, 2.594582780E-03, -8.584809690E-07, 1.307450020E-10, -7.503397650E-15, 2.201275930E+04, -7.794473580E-02] ) ) # note = "L11/92" ) species(name = "HNCO", atoms = " H:1 N:1 C:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.243224540E+00, 1.449863800E-02, -1.526090540E-05, 8.363644530E-09, -1.721919670E-12, -1.342575120E+04, 1.215654690E+01] ), NASA( [ 1000.00, 6000.00], [ 5.294046640E+00, 4.030396500E-03, -1.412903480E-06, 2.244282340E-10, -1.328593800E-14, -1.416537590E+04, -3.087631300E+00] ) ) # note = "J12/70" ) species(name = "HNO", atoms = " H:1 N:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.535258820E+00, -5.685469100E-03, 1.851999760E-05, -1.718836740E-08, 5.558330900E-12, 1.103988050E+04, 1.743147340E+00] ), NASA( [ 1000.00, 6000.00], [ 3.165547620E+00, 3.000051320E-03, -3.943502820E-07, -3.857874910E-11, 7.080919310E-15, 1.119441690E+04, 7.647646950E+00] ) ) # note = "L12/89" ) species(name = "HNO2", atoms = " H:1 N:1 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.214159250E+00, 8.127779200E-03, 1.659995160E-06, -9.528155630E-09, 4.871318160E-12, -1.075323600E+04, 9.822000210E+00] ), NASA( [ 1000.00, 6000.00], [ 5.791826580E+00, 3.651626630E-03, -1.292934510E-06, 2.068929320E-10, -1.231548550E-14, -1.156555260E+04, -4.055385250E+00] ) ) # note = "TPIS89" ) species(name = "HNO3", atoms = " H:1 N:1 O:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.744929460E+00, 1.880408880E-02, -8.159635970E-06, -5.785845320E-09, 4.437680830E-12, -1.738052960E+04, 1.695455240E+01] ), NASA( [ 1000.00, 6000.00], [ 8.003792340E+00, 4.498375330E-03, -1.736487580E-06, 2.936855550E-10, -1.814786730E-14, -1.925630220E+04, -1.609855460E+01] ) ) # note = "L 4/90" ) species(name = "HOCL", atoms = " H:1 O:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.932053700E+00, 6.937774400E-03, -6.719184500E-06, 3.156886600E-09, -4.696588000E-13, -1.008679900E+04, 9.952565760E+00] ), NASA( [ 1000.00, 5000.00], [ 4.225010500E+00, 2.318267500E-03, -8.384238000E-07, 1.417639800E-10, -8.746999400E-15, -1.036865700E+04, 3.590075560E+00] ) ) # note = "J 3/79" ) species(name = "HOF", atoms = " H:1 O:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.231092900E+00, 3.738985700E-03, 6.300976200E-07, -3.621500200E-09, 1.786713300E-12, -1.295477900E+04, 7.750903620E+00] ), NASA( [ 1000.00, 5000.00], [ 4.046433600E+00, 2.448628300E-03, -8.628355300E-07, 1.420990400E-10, -8.935691500E-15, -1.320906700E+04, 3.349932920E+00] ) ) # note = "J12/72" ) species(name = "HO2", atoms = " H:1 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08, 9.292251240E-12, 2.948080400E+02, 3.716662450E+00] ), NASA( [ 1000.00, 6000.00], [ 4.172287280E+00, 1.881176470E-03, -3.462774080E-07, 1.946578530E-11, 1.762542940E-16, 6.181029640E+01, 2.957677460E+00] ) ) # note = "L 5/89" ) species(name = "HSO3F", atoms = " H:1 S:1 O:3 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.119244500E+00, 3.154571000E-02, -3.131788800E-05, 1.246150700E-08, -8.251463000E-13, -9.236159600E+04, 1.555969560E+01] ), NASA( [ 1000.00, 5000.00], [ 1.036419000E+01, 5.386116400E-03, -2.123157200E-06, 3.820834300E-10, -2.580709000E-14, -9.439833400E+04, -2.600550340E+01] ) ) # note = "J 6/72" ) species(name = "H2", atoms = " H:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, -7.376117610E-12, -9.179351730E+02, 6.830102380E-01] ), NASA( [ 1000.00, 6000.00], [ 2.932865790E+00, 8.266079670E-04, -1.464023350E-07, 1.541003590E-11, -6.888044320E-16, -8.130655970E+02, -1.024328870E+00] ) ) # note = "TPIS78" ) species(name = "H2+", atoms = " H:2 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.772560720E+00, -1.957465890E-03, 4.548120470E-06, -2.821521410E-09, 5.339692090E-13, 1.786941040E+05, -3.966090860E+00] ), NASA( [ 1000.00, 6000.00], [ 3.442047650E+00, 5.990832390E-04, 6.691336850E-08, -3.435743730E-11, 1.976265990E-15, 1.786496860E+05, -2.794989490E+00] ) ) # note = "TPIS78" ) species(name = "H2-", atoms = " H:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.838014200E+00, -3.179476800E-03, 1.004301100E-05, -9.551811600E-09, 3.128133000E-12, 2.723485600E+04, -3.998623600E+00] ), NASA( [ 1000.00, 5000.00], [ 3.292107600E+00, 1.435862600E-03, -5.470559300E-07, 1.043388300E-10, -7.382799800E-15, 2.721618100E+04, -1.982777700E+00] ) ) # note = "J 9/77" ) species(name = "HCHO,formaldehy", atoms = " H:2 C:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08, 1.317726520E-11, -1.430895670E+04, 6.028129000E-01] ), NASA( [ 1000.00, 6000.00], [ 3.169526540E+00, 6.193205830E-03, -2.250563770E-06, 3.659756800E-10, -2.201494700E-14, -1.447844440E+04, 6.042094490E+00] ) ) # note = "L 8/88" ) species(name = "HCOOH", atoms = " H:2 C:1 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.232624530E+00, 2.811295820E-03, 2.440349750E-05, -3.175010660E-08, 1.206316600E-11, -4.677856060E+04, 9.862056470E+00] ), NASA( [ 1000.00, 6000.00], [ 5.695794040E+00, 7.722373610E-03, -3.180378080E-06, 5.579494660E-10, -3.526182260E-14, -4.815997230E+04, -6.016800800E+00] ) ) # note = "L 8/88" ) species(name = "H2F2", atoms = " H:2 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.676331200E+00, 1.229799100E-02, -1.245596500E-05, 6.360252300E-09, -1.127082300E-12, -7.012371500E+04, 1.031092980E+01] ), NASA( [ 1000.00, 5000.00], [ 4.916038900E+00, 3.985765400E-03, -1.355870700E-06, 2.193092100E-10, -1.371600500E-14, -7.059477700E+04, -6.296058940E-01] ) ) # note = "J 6/77" ) species(name = "H2O", atoms = " H:2 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, 1.771978170E-12, -3.029372670E+04, -8.490322080E-01] ), NASA( [ 1000.00, 6000.00], [ 2.677037870E+00, 2.973183290E-03, -7.737696900E-07, 9.443366890E-11, -4.269009590E-15, -2.988589380E+04, 6.882555710E+00] ) ) # note = "L 8/89" ) species(name = "H2O+", atoms = " H:2 O:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 4.024658530E+00, -1.088509690E-03, 5.135754000E-06, -4.400265920E-09, 1.407262740E-12, 1.168697570E+05, 6.999713630E-01] ), NASA( [ 1000.00, 6000.00], [ 3.315704600E+00, 2.106487280E-03, -3.763414490E-07, 3.475259000E-11, -1.703356510E-15, 1.169916170E+05, 4.032204410E+00] ) ) # note = "TPIS89" ) species(name = "H2O2", atoms = " H:2 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08, 8.624543630E-12, -1.775429890E+04, 3.435050740E+00] ), NASA( [ 1000.00, 6000.00], [ 4.573335370E+00, 4.049840700E-03, -1.294794790E-06, 1.972817100E-10, -1.134028460E-14, -1.805481210E+04, 7.042784880E-01] ) ) # note = "L 2/93" ) species(name = "H2S", atoms = " H:2 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.932347600E+00, -5.026090500E-04, 4.592847300E-06, -3.180721400E-09, 6.649756100E-13, -3.650535900E+03, 2.315790500E+00] ), NASA( [ 1000.00, 5000.00], [ 2.745219900E+00, 4.043460700E-03, -1.538451000E-06, 2.752024900E-10, -1.859209500E-14, -3.419944400E+03, 8.054674500E+00] ) ) # note = "J 6/77" ) species(name = "H2SO4", atoms = " H:2 S:1 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.072568000E+00, 4.376922600E-02, -5.533324300E-05, 3.551825300E-08, -9.067735800E-12, -9.025975800E+04, 1.893958200E+01] ), NASA( [ 1000.00, 5000.00], [ 1.088953200E+01, 7.500417800E-03, -2.921047800E-06, 5.259551300E-10, -3.578941500E-14, -9.247136400E+04, -2.940478200E+01] ) ) # note = "J 9/77" ) species(name = "H3B3O6", atoms = " H:3 B:3 O:6 ", thermo = ( NASA( [ 300.00, 1000.00], [ -2.270511600E+00, 8.702489400E-02, -9.158771400E-05, 3.944539200E-08, -3.666603500E-12, -2.756952300E+05, 3.252965260E+01] ), NASA( [ 1000.00, 5000.00], [ 2.015357900E+01, 1.301628600E-02, -5.066961900E-06, 9.030825300E-10, -6.053241000E-14, -2.810409200E+05, -7.967633240E+01] ) ) # note = "J12/64" ) species(name = "H3F3", atoms = " H:3 F:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.071786400E+00, 3.727938200E-02, -5.815029200E-05, 4.590619800E-08, -1.398749800E-11, -1.075785900E+05, 1.398177900E+01] ), NASA( [ 1000.00, 5000.00], [ 8.530737300E+00, 6.716593900E-03, -2.545670000E-06, 4.478092900E-10, -2.989427500E-14, -1.087179400E+05, -1.621120100E+01] ) ) # note = "J 6/77" ) species(name = "H3O+", atoms = " H:3 O:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.792952700E+00, -9.108540000E-04, 1.163635490E-05, -1.213648870E-08, 4.261596630E-12, 7.075124010E+04, 1.471568560E+00] ), NASA( [ 1000.00, 6000.00], [ 2.496477160E+00, 5.728449200E-03, -1.839532810E-06, 2.735774390E-10, -1.540939850E-14, 7.097291130E+04, 7.458507790E+00] ) ) # note = "TPIS89" ) species(name = "H4F4", atoms = " H:4 F:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.382175500E+00, 4.991245100E-02, -7.789997000E-05, 6.150362100E-08, -1.873981200E-11, -1.450350700E+05, 1.080547420E+01] ), NASA( [ 1000.00, 5000.00], [ 1.203738500E+01, 8.959586200E-03, -3.396056900E-06, 5.974365300E-10, -3.988469300E-14, -1.465619300E+05, -2.965460380E+01] ) ) # note = "J 6/77" ) species(name = "H5F5", atoms = " H:5 F:5 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.684175000E+00, 6.260530800E-02, -9.779898900E-05, 7.725732200E-08, -2.355046100E-11, -1.826315900E+05, 7.481674970E+00] ), NASA( [ 1000.00, 5000.00], [ 1.554413500E+01, 1.120237700E-02, -4.246316300E-06, 7.470318300E-10, -4.987236000E-14, -1.845468600E+05, -4.328139020E+01] ) ) # note = "J 6/77" ) species(name = "H6F6", atoms = " H:6 F:6 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.996331700E+00, 7.522577300E-02, -1.175171600E-04, 9.282176000E-08, -2.829045700E-11, -2.216784700E+05, 3.964352970E+00] ), NASA( [ 1000.00, 5000.00], [ 1.905092400E+01, 1.344509300E-02, -5.096529300E-06, 8.966158100E-10, -5.985907200E-14, -2.239811000E+05, -5.705914700E+01] ) ) # note = "J 6/77" ) species(name = "H7F7", atoms = " H:7 F:7 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.300979100E+00, 8.789976600E-02, -1.373690800E-04, 1.085261800E-07, -3.308271500E-11, -2.579517700E+05, 3.624760780E-01] ), NASA( [ 1000.00, 5000.00], [ 2.255753600E+01, 1.568815200E-02, -5.946957600E-06, 1.046253200E-09, -6.985035100E-14, -2.606424800E+05, -7.095210600E+01] ) ) # note = "J 6/77" ) species(name = "He", atoms = " He:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 9.287247240E-01] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 9.287247240E-01] ) ) # note = "L10/90" ) species(name = "He+", atoms = " He:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.853150860E+05, 1.621666840E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.853150860E+05, 1.621666840E+00] ) ) # note = "L10/92" ) species(name = "Hg", atoms = " Hg:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 6.636900080E+03, 6.800201540E+00] ), NASA( [ 1000.00, 6000.00], [ 2.509536110E+00, -1.988272790E-05, 1.389108490E-08, -3.935429200E-12, 3.909592190E-16, 6.633580640E+03, 6.748479660E+00] ) ) # note = "J 9/84" ) species(name = "HgBr2", atoms = " Hg:1 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.718892100E+00, 2.578274300E-03, -2.918023700E-06, 9.581844200E-10, 1.387230700E-13, -1.237143400E+04, -4.136708230E-01] ), NASA( [ 1000.00, 5000.00], [ 7.422699000E+00, 7.868766300E-05, -2.991030700E-08, 4.849822800E-12, -2.793093300E-16, -1.252202000E+04, -3.867339710E+00] ) ) # note = "J 3/62" ) species(name = "I", atoms = " I:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500416830E+00, -4.480468310E-06, 1.699625360E-08, -2.677080300E-11, 1.489274520E-14, 1.209479900E+04, 7.498165810E+00] ), NASA( [ 1000.00, 6000.00], [ 2.616677120E+00, -2.660103200E-04, 1.860601500E-07, -3.819274720E-11, 2.520360530E-15, 1.205827900E+04, 6.878966530E+00] ) ) # note = "J 6/82" ) species(name = "I2", atoms = " I:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.872346340E+00, 3.642654140E-03, -7.953491910E-06, 7.821497730E-09, -2.806080710E-12, 6.247064240E+03, 8.494102670E+00] ), NASA( [ 1000.00, 6000.00], [ 4.565881020E+00, -3.422293610E-04, 4.844109770E-07, -1.426321570E-10, 1.149510990E-14, 6.160854320E+03, 5.419582860E+00] ) ) # note = "TPIS89" ) species(name = "K", atoms = " K:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500007120E+00, -7.251131660E-08, 2.590684810E-10, -3.794609110E-13, 1.932106410E-16, 9.958803070E+03, 5.040545170E+00] ), NASA( [ 1000.00, 6000.00], [ 2.260267210E+00, 5.623411790E-04, -4.485518380E-07, 1.362434980E-10, -1.029262680E-14, 1.003488120E+04, 6.315682010E+00] ) ) # note = "L 4/93" ) species(name = "K+", atoms = " K:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 6.107510510E+04, 4.347404490E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 6.107510510E+04, 4.347404490E+00] ) ) # note = "J12/83" ) species(name = "KBO2", atoms = " K:1 B:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.396780100E+00, 1.216920200E-02, -1.180421800E-05, 5.131655100E-09, -6.593272000E-13, -8.282701200E+04, 7.573243100E+00] ), NASA( [ 1000.00, 5000.00], [ 7.550250800E+00, 2.566182300E-03, -1.067156600E-06, 1.985188500E-10, -1.370416800E-14, -8.365383400E+04, -8.492700000E+00] ) ) # note = "J 6/71" ) species(name = "KCN", atoms = " K:1 C:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.081071100E+00, 5.526595600E-03, -9.115712100E-06, 8.448881700E-09, -3.005154800E-12, 7.866216100E+03, 1.863468680E-01] ), NASA( [ 1000.00, 5000.00], [ 5.800712000E+00, 1.720078600E-03, -7.079107400E-07, 1.319924700E-10, -9.190832300E-15, 7.727262800E+03, -3.158834190E+00] ) ) # note = "J 3/66" ) species(name = "KCL", atoms = " K:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.990856900E+00, 2.108916900E-03, -3.183653000E-06, 2.252530800E-09, -5.909417900E-13, -2.708018400E+04, 5.512004450E+00] ), NASA( [ 1000.00, 5000.00], [ 4.463673300E+00, 1.222920700E-04, -9.171921000E-09, 9.264824200E-13, -1.040791700E-17, -2.717313300E+04, 3.248089950E+00] ) ) # note = "J 3/66" ) species(name = "KF", atoms = " K:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.515606600E+00, 3.786842200E-03, -5.586499500E-06, 3.775143800E-09, -9.392421800E-13, -4.047607900E+04, 6.313385450E+00] ), NASA( [ 1000.00, 5000.00], [ 4.404070000E+00, 1.783372500E-04, -3.609379700E-08, 5.883958700E-12, -3.469404600E-16, -4.065588900E+04, 2.031095850E+00] ) ) # note = "J 6/69" ) species(name = "KF2-", atoms = " K:1 F:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.250757300E+00, 8.638371800E-03, -1.340367300E-05, 9.414083200E-09, -2.468260200E-12, -8.538397100E+04, -4.772247130E-01] ), NASA( [ 1000.00, 5000.00], [ 7.258163800E+00, 2.670355700E-04, -1.138463000E-07, 2.140768500E-11, -1.482707000E-15, -8.578083900E+04, -1.010327830E+01] ) ) # note = "J12/68" ) species(name = "KH", atoms = " K:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.815775600E+00, 3.987106000E-03, -3.341054800E-06, 8.860294200E-10, 1.140284700E-13, 1.380583800E+04, 6.725178990E+00] ), NASA( [ 1000.00, 5000.00], [ 3.960338600E+00, 7.219032300E-04, -2.691871500E-07, 5.261730000E-11, -3.787268300E-15, 1.350183700E+04, 8.553450830E-01] ) ) # note = "J 3/63" ) species(name = "KO", atoms = " K:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.741077800E+00, 3.124201700E-03, -4.802003900E-06, 3.466060500E-09, -9.359979100E-13, 7.336871400E+03, 6.566923890E+00] ), NASA( [ 1000.00, 5000.00], [ 4.424477800E+00, 1.993615500E-04, -3.712883700E-08, 7.130830000E-12, -5.036968700E-16, 7.205233100E+03, 3.307668490E+00] ) ) # note = "J12/67" ) species(name = "KO-", atoms = " K:1 O:1 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.708366000E+00, 3.237648000E-03, -4.969050000E-06, 3.572884600E-09, -9.608026800E-13, -1.781860700E+04, 5.316625880E+00] ), NASA( [ 1000.00, 5000.00], [ 4.420108400E+00, 2.012426600E-04, -3.933099600E-08, 7.559851100E-12, -5.344227500E-16, -1.795610900E+04, 1.920004080E+00] ) ) # note = "J12/67" ) species(name = "KOH", atoms = " K:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.073344100E+00, 9.721794500E-03, -1.598880400E-05, 1.214835300E-08, -3.370934200E-12, -2.950655800E+04, 2.935401360E+00] ), NASA( [ 1000.00, 5000.00], [ 5.640094900E+00, 1.251022600E-03, -3.498454700E-07, 4.456699300E-11, -2.087027900E-15, -2.969873200E+04, -4.043654640E+00] ) ) # note = "J12/70" ) species(name = "KOH+", atoms = " K:1 O:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.432516700E+00, 8.463162500E-03, -1.424785500E-05, 1.110662500E-08, -3.156361200E-12, 5.829263200E+04, 2.873345730E+00] ), NASA( [ 1000.00, 5000.00], [ 5.680614000E+00, 1.212095100E-03, -3.344711700E-07, 4.172793200E-11, -1.879391300E-15, 5.816760200E+04, -2.554151370E+00] ) ) # note = "J12/71" ) species(name = "K2", atoms = " K:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.506651270E+00, -4.356762210E-04, 3.266187410E-06, -4.178351020E-09, 1.196183670E-12, 1.352879530E+04, 4.373189170E+00] ), NASA( [ 1000.00, 6000.00], [ 6.948663710E+00, -3.604683190E-03, 1.175531930E-06, -1.742203670E-10, 9.703028740E-15, 1.260443490E+04, -9.319390510E+00] ) ) # note = "J12/83" ) species(name = "K2C2N2", atoms = " K:2 C:2 N:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.113305800E+01, 1.151636200E-02, -1.947653300E-05, 1.816985900E-08, -6.464725200E-12, -4.698069300E+03, -2.126795910E+01] ), NASA( [ 1000.00, 5000.00], [ 1.262575400E+01, 3.412399600E-03, -1.403488800E-06, 2.615639600E-10, -1.820686500E-14, -4.975361400E+03, -2.815389110E+01] ) ) # note = "J 3/66" ) species(name = "K2CL2", atoms = " K:2 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 8.706797400E+00, 6.015404700E-03, -1.130393900E-05, 9.662081400E-09, -3.105565700E-12, -7.706769600E+04, -8.537547250E+00] ), NASA( [ 1000.00, 5000.00], [ 9.904106900E+00, 1.117970700E-04, -5.039119700E-08, 9.993461400E-12, -7.270300900E-16, -7.727233000E+04, -1.409028200E+01] ) ) # note = "J 3/66" ) species(name = "K2F2", atoms = " K:2 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.832950400E+00, 8.924083100E-03, -1.471985200E-05, 1.098246900E-08, -3.072172000E-12, -1.063875200E+05, -8.242382810E+00] ), NASA( [ 1000.00, 5000.00], [ 9.814809600E+00, 2.045308100E-04, -8.707166500E-08, 1.633722700E-11, -1.128725600E-15, -1.067598700E+05, -1.764180300E+01] ) ) # note = "J 6/69" ) species(name = "K2O2H2", atoms = " K:2 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.919059600E+00, 1.030070300E-02, -2.517329600E-07, -7.745001400E-09, 4.079604100E-12, -8.126054800E+04, -2.972856440E+00] ), NASA( [ 1000.00, 5000.00], [ 9.509772200E+00, 5.416706600E-03, -1.922353200E-06, 3.186606600E-10, -2.015250800E-14, -8.204835200E+04, -1.681250590E+01] ) ) # note = "J12/70" ) species(name = "K2SO4", atoms = " K:2 S:1 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.475852000E+00, 4.877323700E-02, -6.842008000E-05, 4.688631600E-08, -1.272108200E-11, -1.342808500E+05, 1.234482860E+01] ), NASA( [ 1000.00, 5000.00], [ 1.537410800E+01, 4.105613900E-03, -1.814893500E-06, 3.549724300E-10, -2.555875400E-14, -1.369532900E+05, -4.614381540E+01] ) ) # note = "J 6/78" ) species(name = "Kr", atoms = " Kr:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 5.490956510E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 5.490956510E+00] ) ) # note = "L10/90" ) species(name = "Kr+", atoms = " Kr:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.481535460E+00, 1.498646760E-04, -4.155765900E-07, 4.402375470E-10, -1.193747460E-13, 1.624605920E+05, 6.952579980E+00] ), NASA( [ 1000.00, 6000.00], [ 2.189687250E+00, 4.637756890E-04, -1.295074820E-07, 1.311586880E-11, -3.849779870E-16, 1.625831100E+05, 8.624276880E+00] ) ) # note = "L10/92" ) species(name = "Li", atoms = " Li:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.841390200E+04, 2.447622970E+00] ), NASA( [ 1000.00, 6000.00], [ 2.504131070E+00, 3.456047040E-05, -6.447900180E-08, 2.757529660E-11, -1.787839350E-15, 1.840744740E+04, 2.408020740E+00] ) ) # note = "J12/83" ) species(name = "Li+", atoms = " Li:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 8.172719400E+04, 1.754357540E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 8.172719400E+04, 1.754357540E+00] ) ) # note = "J12/83" ) species(name = "LiALF4", atoms = " Li:1 Al:1 F:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.540342100E+00, 5.198588100E-02, -8.618803100E-05, 6.749681600E-08, -2.036750900E-11, -2.253576700E+05, 1.257193200E+01] ), NASA( [ 1000.00, 5000.00], [ 1.403774200E+01, 2.248264200E-03, -1.001000200E-06, 1.967024900E-10, -1.420888600E-14, -2.276275700E+05, -4.236014800E+01] ) ) # note = "J12/79" ) species(name = "LiBO2", atoms = " Li:1 B:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.743547400E+00, 1.447525700E-02, -1.520968800E-05, 7.413654100E-09, -1.224219100E-12, -7.943775600E+04, 8.012025640E+00] ), NASA( [ 1000.00, 5000.00], [ 7.426609600E+00, 2.704375700E-03, -1.128474100E-06, 2.106239800E-10, -1.458490900E-14, -8.037028500E+04, -1.060079180E+01] ) ) # note = "J 6/71" ) species(name = "LiCL", atoms = " Li:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.990690600E+00, 5.033864200E-03, -6.567197900E-06, 3.805016000E-09, -7.611745500E-13, -2.460318200E+04, 7.328184480E+00] ), NASA( [ 1000.00, 5000.00], [ 4.271214300E+00, 3.140029100E-04, -1.012313000E-07, 1.845185300E-11, -1.239873100E-15, -2.488444200E+04, 1.041721580E+00] ) ) # note = "J 6/62" ) species(name = "LiF", atoms = " Li:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.852886900E+00, 3.953278100E-03, -3.172498500E-06, 4.324439700E-10, 3.705566700E-13, -4.198726500E+04, 6.791028870E+00] ), NASA( [ 1000.00, 5000.00], [ 4.043024800E+00, 5.704105400E-04, -2.145414400E-07, 4.060901300E-11, -2.835792000E-15, -4.229931800E+04, 6.976954670E-01] ) ) # note = "J12/68" ) species(name = "LiFO", atoms = " Li:1 F:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.500179000E+00, 1.266171700E-02, -1.415758900E-05, 6.450637400E-09, -7.426143100E-13, -1.226553400E+04, 1.214401820E+01] ), NASA( [ 1000.00, 5000.00], [ 5.992610900E+00, 1.113920000E-03, -4.788849300E-07, 9.106833200E-11, -6.384912300E-15, -1.310098900E+04, -5.336603290E+00] ) ) # note = "J 9/65" ) species(name = "LiF2-", atoms = " Li:1 F:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.471813600E+00, 1.063671300E-02, -1.177764600E-05, 5.676548700E-09, -8.465984000E-13, -8.696311100E+04, 5.140927950E+00] ), NASA( [ 1000.00, 5000.00], [ 6.344859000E+00, 1.257127200E-03, -5.352283000E-07, 1.011302500E-10, -7.058174400E-15, -8.766789000E+04, -9.298402850E+00] ) ) # note = "J12/68" ) species(name = "LiH", atoms = " Li:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.420948600E+00, -6.806736600E-04, 5.652738100E-06, -6.218034800E-09, 2.153175500E-12, 1.588494500E+04, 1.065741940E+00] ), NASA( [ 1000.00, 5000.00], [ 3.588429700E+00, 1.072769100E-03, -4.019458800E-07, 7.382855700E-11, -4.926964400E-15, 1.571762500E+04, -3.750389650E-01] ) ) # note = "J 9/67" ) species(name = "LiN", atoms = " Li:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.889430000E+00, 5.221253400E-03, -6.596902100E-06, 3.728899700E-09, -7.235514300E-13, 3.921632300E+04, 7.288871450E+00] ), NASA( [ 1000.00, 5000.00], [ 4.225807700E+00, 3.966718700E-04, -1.249399300E-07, 2.317475900E-11, -1.585191700E-15, 3.891695200E+04, 7.008514810E-01] ) ) # note = "J12/66" ) species(name = "LiO", atoms = " Li:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.838900700E+00, 5.153862600E-03, -6.308238200E-06, 3.411438500E-09, -6.163134300E-13, 9.088431400E+03, 7.913117890E+00] ), NASA( [ 1000.00, 5000.00], [ 4.187620500E+00, 4.118657400E-04, -1.452029600E-07, 2.725307000E-11, -1.886477500E-15, 8.779525900E+03, 1.231425990E+00] ) ) # note = "J 3/64" ) species(name = "LiO-", atoms = " Li:1 O:1 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.851586600E+00, 5.016988000E-03, -5.954747500E-06, 3.039945100E-09, -4.787296900E-13, -9.077807600E+03, 6.459470670E+00] ), NASA( [ 1000.00, 5000.00], [ 4.181021700E+00, 4.178500000E-04, -1.502484500E-07, 2.839773200E-11, -1.978918100E-15, -9.384970200E+03, -1.423923370E-01] ) ) # note = "J12/67" ) species(name = "LiOH", atoms = " Li:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.346230000E+00, 1.178725300E-02, -1.825265700E-05, 1.308561400E-08, -3.432874200E-12, -2.956463600E+04, 3.461233300E+00] ), NASA( [ 1000.00, 5000.00], [ 5.509695700E+00, 1.368546400E-03, -3.944146900E-07, 5.233219500E-11, -2.595867600E-15, -2.989923100E+04, -6.507016000E+00] ) ) # note = "J 6/71" ) species(name = "LiOH+", atoms = " Li:1 O:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.637973900E+00, 1.089715400E-02, -1.722967000E-05, 1.266792700E-08, -3.416525900E-12, 9.216119300E+04, 3.637760920E+00] ), NASA( [ 1000.00, 5000.00], [ 5.532926900E+00, 1.377793100E-03, -4.065930900E-07, 5.559091000E-11, -2.860462400E-15, 9.188857900E+04, -4.993592680E+00] ) ) # note = "J12/71" ) species(name = "LiON", atoms = " Li:1 O:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.670116400E+00, 7.256817700E-03, -5.868114600E-06, 1.162831200E-09, 4.270412200E-13, 2.027170300E+04, 6.682495110E+00] ), NASA( [ 1000.00, 5000.00], [ 5.812349600E+00, 1.287062600E-03, -5.466771000E-07, 1.031498700E-10, -7.193044700E-15, 1.969230200E+04, -4.344705590E+00] ) ) # note = "J 9/66" ) species(name = "Li2", atoms = " Li:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.215904900E+00, 7.093897480E-03, -1.507233700E-05, 1.486848820E-08, -5.437402560E-12, 2.479887720E+04, 3.804890040E+00] ), NASA( [ 1000.00, 6000.00], [ 5.583939350E+00, -7.876994020E-04, -3.848781200E-07, 2.911330390E-10, -3.394384750E-14, 2.403946860E+04, -8.506791270E+00] ) ) # note = "J12/83" ) species(name = "Li2CL2", atoms = " Li:2 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.280135100E+00, 1.838410000E-02, -2.876944800E-05, 2.031335900E-08, -5.343324700E-12, -7.416000300E+04, 2.792794220E-01] ), NASA( [ 1000.00, 5000.00], [ 9.524561400E+00, 5.245883400E-04, -2.233794900E-07, 4.195111400E-11, -2.902130600E-15, -7.499026300E+04, -2.003167160E+01] ) ) # note = "J 6/62" ) species(name = "Li2F2", atoms = " Li:2 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.400750800E+00, 2.706623700E-02, -3.925618000E-05, 2.572259900E-08, -6.223722500E-12, -1.150109100E+05, 1.089177880E+01] ), NASA( [ 1000.00, 5000.00], [ 8.956663600E+00, 1.171926900E-03, -5.099050400E-07, 9.791753400E-11, -6.921560200E-15, -1.163722800E+05, -2.088633120E+01] ) ) # note = "J12/68" ) species(name = "Li2O", atoms = " Li:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.972170800E+00, 9.246092100E-03, -9.359614900E-06, 3.463916000E-09, -7.565888000E-14, -2.159698800E+04, 2.552304090E+00] ), NASA( [ 1000.00, 5000.00], [ 6.619874800E+00, 9.687944800E-04, -4.149050600E-07, 7.863733700E-11, -5.496929200E-15, -2.225532500E+04, -1.082155900E+01] ) ) # note = "J 3/64" ) species(name = "Li2O2", atoms = " Li:2 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.537523200E+00, 1.734422300E-02, -2.719797100E-05, 1.930562900E-08, -5.120795700E-12, -3.140204400E+04, -2.768312910E+00] ), NASA( [ 1000.00, 5000.00], [ 9.527526000E+00, 5.302101300E-04, -2.300586200E-07, 4.403083100E-11, -3.101870200E-15, -3.218248400E+04, -2.185911200E+01] ) ) # note = "J 3/64" ) species(name = "Li2O2H2", atoms = " Li:2 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.864663700E+00, 2.523730900E-02, -2.263279100E-05, 7.463271300E-09, 2.292549800E-13, -8.733881100E+04, 9.543129600E+00] ), NASA( [ 1000.00, 5000.00], [ 8.993612900E+00, 6.003963300E-03, -2.181018100E-06, 3.688872600E-10, -2.373801400E-14, -8.884415000E+04, -2.135864950E+01] ) ) # note = "J 6/71" ) species(name = "Li2SO4", atoms = " Li:2 S:1 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.114572500E-01, 5.945117900E-02, -8.636349000E-05, 6.117108700E-08, -1.709892300E-11, -1.275084200E+05, 2.038032790E+01] ), NASA( [ 1000.00, 5000.00], [ 1.492959500E+01, 4.609747400E-03, -2.037955600E-06, 3.986257900E-10, -2.870303000E-14, -1.306352800E+05, -4.916649110E+01] ) ) # note = "J12/78" ) species(name = "Li3CL3", atoms = " Li:3 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.574595900E+00, 3.974923900E-02, -5.650821300E-05, 3.629414500E-08, -8.578470000E-12, -1.235335100E+05, 4.680596580E+00] ), NASA( [ 1000.00, 5000.00], [ 1.431944000E+01, 1.885400700E-03, -8.197833000E-07, 1.573549400E-10, -1.111947200E-14, -1.255885100E+05, -4.271102260E+01] ) ) # note = "J 6/62" ) species(name = "Li3F3", atoms = " Li:3 F:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.641397500E+00, 3.987869600E-02, -5.724899100E-05, 3.719354400E-08, -8.923012500E-12, -1.851985200E+05, 2.162359670E+00] ), NASA( [ 1000.00, 5000.00], [ 1.436442200E+01, 1.828549800E-03, -7.922115900E-07, 1.515452900E-10, -1.067567300E-14, -1.872373600E+05, -4.506091300E+01] ) ) # note = "J12/68" ) species(name = "Mg", atoms = " Mg:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.694658760E+04, 3.634330140E+00] ), NASA( [ 1000.00, 6000.00], [ 2.316644840E+00, 3.658663390E-04, -2.332278030E-07, 5.371175700E-11, -2.995130650E-15, 1.701192330E+04, 4.634495160E+00] ) ) # note = "J 9/83" ) species(name = "Mg+", atoms = " Mg:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.064223350E+05, 4.327443550E+00] ), NASA( [ 1000.00, 6000.00], [ 2.504165740E+00, -9.193409660E-06, 6.961714780E-09, -2.174949380E-12, 2.409033460E-16, 1.064209410E+05, 4.305044940E+00] ) ) # note = "J 9/83" ) species(name = "MgBr", atoms = " Mg:1 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.510728500E+00, 4.452851000E-03, -8.012407500E-06, 6.706690000E-09, -2.123271800E-12, -5.436825700E+03, 8.431489990E+00] ), NASA( [ 1000.00, 5000.00], [ 4.409985400E+00, 1.602173600E-04, -4.150122300E-08, 5.937034200E-12, -4.823157300E-17, -5.596190900E+03, 4.229603090E+00] ) ) # note = "J 6/75" ) species(name = "MgBr2", atoms = " Mg:1 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.713910200E+00, 7.732161700E-03, -1.386579300E-05, 1.147790000E-08, -3.605788400E-12, -3.837948300E+04, 1.868602290E+00] ), NASA( [ 1000.00, 5000.00], [ 7.321510000E+00, 2.064372500E-04, -9.248920800E-08, 1.825583800E-11, -1.323117000E-15, -3.867130400E+04, -5.678465910E+00] ) ) # note = "J 6/74" ) species(name = "MgCL", atoms = " Mg:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.380053400E+00, 4.281338900E-03, -6.445733300E-06, 4.447229100E-09, -1.142172700E-12, -6.382656000E+03, 7.788988160E+00] ), NASA( [ 1000.00, 5000.00], [ 4.377583300E+00, 1.883417800E-04, -5.448859200E-08, 9.948103100E-12, -6.694961100E-16, -6.583082600E+03, 2.989388660E+00] ) ) # note = "J 3/66" ) species(name = "MgCL+", atoms = " Mg:1 Cl:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.601223000E+00, 3.479185900E-03, -5.135314300E-06, 3.444633700E-09, -8.384820600E-13, 7.731468800E+04, 6.133859330E+00] ), NASA( [ 1000.00, 5000.00], [ 6.351234400E+00, -3.796719000E-03, 2.471294500E-06, -5.082365300E-10, 3.367262500E-14, 7.648087900E+04, -8.290362270E+00] ) ) # note = "J 6/68" ) species(name = "MgCLF", atoms = " Mg:1 Cl:1 F:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.157042930E+00, 1.645347900E-02, -3.011268690E-05, 2.579746060E-08, -8.424875470E-12, -6.989100400E+04, 1.022554020E+01] ), NASA( [ 1000.00, 6000.00], [ 6.570822520E+00, 4.488762080E-04, -1.779948190E-07, 3.063182050E-11, -1.915545440E-15, -7.052359770E+04, -5.835554140E+00] ) ) # note = "J 3/66" ) species(name = "MgCL2", atoms = " Mg:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.409552900E+00, 7.720628100E-03, -1.162009400E-05, 7.941788900E-09, -2.025250200E-12, -4.907053700E+04, 6.471580840E-01] ), NASA( [ 1000.00, 5000.00], [ 7.240191300E+00, 2.885623900E-04, -1.240118700E-07, 2.352710100E-11, -1.644320500E-15, -4.944232600E+04, -8.180901460E+00] ) ) # note = "J12/69" ) species(name = "MgF", atoms = " Mg:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.657075200E+00, 6.682613500E-03, -1.033115600E-05, 7.687176600E-09, -2.224505700E-12, -2.949489000E+04, 9.855080410E+00] ), NASA( [ 1000.00, 5000.00], [ 4.192211900E+00, 4.036264400E-04, -1.509763100E-07, 2.816922100E-11, -1.827589200E-15, -2.981371000E+04, 2.436962110E+00] ) ) # note = "J 6/76" ) species(name = "MgF+", atoms = " Mg:1 F:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.438765400E+00, 2.225265400E-03, -5.462120200E-06, 1.408427600E-08, -8.072690600E-12, 6.051566600E+04, 5.778354560E+00] ), NASA( [ 1000.00, 5000.00], [ 4.368105700E+00, 4.117596600E-03, -2.939479700E-06, 7.271184300E-10, -5.984480200E-14, 5.953600000E+04, -1.345777940E+00] ) ) # note = "J12/75" ) species(name = "MgF2", atoms = " Mg:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.347905800E+00, 1.311529700E-02, -2.054160700E-05, 1.539578400E-08, -4.490904100E-12, -8.883887400E+04, 8.651902110E+00] ), NASA( [ 1000.00, 5000.00], [ 6.364207300E+00, 7.262782700E-04, -3.228004600E-07, 6.336366600E-11, -4.573843700E-15, -8.946442900E+04, -5.915130790E+00] ) ) # note = "J 6/75" ) species(name = "MgF2+", atoms = " Mg:1 F:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.521288400E+00, 1.526955600E-02, -2.518008900E-05, 1.963549900E-08, -5.905491900E-12, 6.965838800E+04, 7.390209450E+00] ), NASA( [ 1000.00, 5000.00], [ 6.891067300E+00, 7.178128300E-04, -3.294117200E-07, 6.588112800E-11, -4.587322800E-15, 6.899314500E+04, -8.713013950E+00] ) ) # note = "J12/75" ) species(name = "MgH", atoms = " Mg:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.510239700E+00, -1.236835200E-03, 6.424699800E-06, -6.605484600E-09, 2.200362500E-12, 1.929389300E+04, 3.373654160E+00] ), NASA( [ 1000.00, 5000.00], [ 3.463859100E+00, 1.240405500E-03, -5.027821000E-07, 9.811883400E-11, -6.618306800E-15, 1.917631000E+04, 2.997751860E+00] ) ) # note = "J12/66" ) species(name = "MgI", atoms = " Mg:1 I:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.395966060E+00, 6.114948660E-03, -1.315441460E-05, 1.272593110E-08, -4.534142970E-12, 1.769336280E+03, 9.695865080E+00] ), NASA( [ 1000.00, 6000.00], [ 4.412455990E+00, 1.789109140E-04, -5.229866790E-08, 9.687134860E-12, -4.671137860E-16, 1.625819070E+03, 5.164510180E+00] ) ) # note = "J12/74" ) species(name = "MgI2", atoms = " Mg:1 I:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.108142600E+00, 6.146211800E-03, -1.116652700E-05, 9.326652500E-09, -2.948716600E-12, -2.128632300E+04, 1.971266870E+00] ), NASA( [ 1000.00, 5000.00], [ 7.371116200E+00, 1.494195400E-04, -6.706773800E-08, 1.325755900E-11, -9.620050200E-16, -2.151192300E+04, -3.938456630E+00] ) ) # note = "J12/74" ) species(name = "MgN", atoms = " Mg:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.889454900E+00, 5.175717500E-03, -6.584901600E-06, 3.721893300E-09, -7.230596400E-13, 3.368105800E+04, 9.297589460E+00] ), NASA( [ 1000.00, 5000.00], [ 4.221441700E+00, 3.648924000E-04, -1.299573000E-07, 2.441894000E-11, -1.691775900E-15, 3.338293100E+04, 2.732051960E+00] ) ) # note = "J 3/64" ) species(name = "MgO", atoms = " Mg:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.335349700E+00, -1.333913400E-02, 3.566752600E-05, -2.605747100E-08, 4.984119600E-12, 5.731557300E+03, -2.132776810E+00] ), NASA( [ 1000.00, 5000.00], [ 7.949442800E+00, -1.264075500E-03, -2.400973000E-07, 1.627327700E-10, -1.761190900E-14, 3.494438400E+03, -2.180117300E+01] ) ) # note = "J12/74" ) species(name = "MgOH", atoms = " Mg:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.762435700E+00, 1.916700500E-02, -3.321931800E-05, 2.715897800E-08, -8.388927500E-12, -2.094918200E+04, 1.273445250E+01] ), NASA( [ 1000.00, 5000.00], [ 5.267142400E+00, 1.678272000E-03, -5.430917300E-07, 8.256334900E-11, -4.713351300E-15, -2.150933600E+04, -3.395165560E+00] ) ) # note = "J12/75" ) species(name = "MgOH+", atoms = " Mg:1 O:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.783142100E+00, 1.922852700E-02, -3.350314300E-05, 2.749136400E-08, -8.515100700E-12, 6.915058400E+04, 1.193052360E+01] ), NASA( [ 1000.00, 5000.00], [ 5.282447900E+00, 1.664043700E-03, -5.401665100E-07, 8.346782400E-11, -5.003616800E-15, 6.859581600E+04, -4.150388630E+00] ) ) # note = "J12/75" ) species(name = "MgO2H2", atoms = " Mg:1 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.549475000E+00, 3.827048000E-02, -6.650932800E-05, 5.453629400E-08, -1.689133800E-11, -7.051675400E+04, 1.441703610E+01] ), NASA( [ 1000.00, 5000.00], [ 8.517838400E+00, 3.379138000E-03, -1.102203300E-06, 1.711117900E-10, -1.030228600E-14, -7.162673100E+04, -1.762946490E+01] ) ) # note = "J12/75" ) species(name = "MgS", atoms = " Mg:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.808921500E+00, -3.249359500E-02, 9.251725700E-05, -9.096520300E-08, 2.972563100E-11, 1.593229000E+04, -1.104790530E+01] ), NASA( [ 1000.00, 5000.00], [ 1.035856500E+01, -5.530708500E-03, 2.095119900E-06, -3.522483800E-10, 2.228273600E-14, 1.332934600E+04, -3.319052230E+01] ) ) # note = "J 9/77" ) species(name = "Mg2", atoms = " Mg:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.665489170E+00, -1.812079830E-02, 4.057062330E-05, -4.007200910E-08, 1.450404630E-11, 3.342807530E+04, 5.330957110E-01] ), NASA( [ 1000.00, 6000.00], [ 1.554993080E+00, 3.137719320E-03, -3.154974010E-06, 1.118151990E-09, -1.085390010E-13, 3.410948850E+04, 1.945477040E+01] ) ) # note = "J 9/83" ) species(name = "Mg2F4", atoms = " Mg:2 F:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.229905300E+00, 4.929084900E-02, -8.644967200E-05, 7.045937100E-08, -2.188711000E-11, -2.094929900E+05, 5.003236150E+00] ), NASA( [ 1000.00, 5000.00], [ 1.467201600E+01, 1.529931800E-03, -6.834711700E-07, 1.346046900E-10, -9.738339800E-15, -2.114376600E+05, -4.427824400E+01] ) ) # note = "J12/75" ) species(name = "MoO3", atoms = " Mo:1 O:3 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.654312100E+00, 1.449099200E-02, -7.668139000E-06, -6.098464000E-09, 5.182580900E-12, -4.548309400E+04, 8.505218890E+00] ), NASA( [ 1000.00, 5000.00], [ 8.559907900E+00, 1.513690700E-03, -6.137326000E-07, 1.075889000E-10, -6.227755500E-15, -4.676527000E+04, -1.670282500E+01] ) ) # note = "TPIS82" ) species(name = "Mo2O6", atoms = " Mo:2 O:6 ", thermo = ( NASA( [ 298.15, 1000.00], [ 7.754672100E+00, 3.262506400E-02, -1.665990600E-05, -1.503960000E-08, 1.236035800E-11, -1.418333800E+05, -6.450927310E+00] ), NASA( [ 1000.00, 5000.00], [ 1.392333200E+01, 1.290874900E-02, -7.392938600E-06, 1.745410900E-09, -1.441066800E-13, -1.429283100E+05, -3.644861400E+01] ) ) # note = "TPIS82" ) species(name = "Mo3O9", atoms = " Mo:3 O:9 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.357742400E+01, 4.538931000E-02, -2.130595400E-05, -2.286776600E-08, 1.775232700E-11, -2.345968800E+05, -2.857713900E+01] ), NASA( [ 1000.00, 5000.00], [ 2.226229900E+01, 1.858496700E-02, -1.058935700E-05, 2.492675200E-09, -2.054253600E-13, -2.362003800E+05, -7.108818600E+01] ) ) # note = "TPIS82" ) species(name = "Mo4O12", atoms = " Mo:4 O:12 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.872747800E+01, 6.115949900E-02, -2.914191300E-05, -3.065805000E-08, 2.401182000E-11, -3.237659400E+05, -5.008838400E+01] ), NASA( [ 1000.00, 5000.00], [ 3.043174700E+01, 2.473264600E-02, -1.411854900E-05, 3.327129200E-09, -2.743901600E-13, -3.259036300E+05, -1.072803370E+02] ) ) # note = "TPIS82" ) species(name = "Mo5O15", atoms = " Mo:5 O:15 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.388705400E+01, 7.614100000E-02, -3.517472900E-05, -3.986486500E-08, 3.063112300E-11, -4.105210600E+05, -7.160417700E+01] ), NASA( [ 1000.00, 5000.00], [ 3.862254300E+01, 3.074274200E-02, -1.753604700E-05, 4.130623000E-09, -3.405577100E-13, -4.132415600E+05, -1.437367570E+02] ) ) # note = "TPIS82" ) species(name = "N", atoms = " N:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 5.610463780E+04, 4.193909320E+00] ), NASA( [ 1000.00, 6000.00], [ 2.415942930E+00, 1.748906000E-04, -1.190236670E-07, 3.022623870E-11, -2.036097900E-15, 5.613377480E+04, 4.649609860E+00] ) ) # note = "L 6/88" ) species(name = "N+", atoms = " N:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.802694450E+00, -1.447589110E-03, 2.771183800E-06, -2.401873520E-09, 7.808399310E-13, 2.255752440E+05, 3.578778350E+00] ), NASA( [ 1000.00, 6000.00], [ 2.511129670E+00, 3.464417510E-06, -1.594269380E-08, 7.248656630E-12, -6.445014260E-16, 2.256243400E+05, 4.927676610E+00] ) ) # note = "L 7/88" ) species(name = "N-", atoms = " N:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.627234030E+00, -5.934450180E-04, 1.120289160E-06, -9.625856030E-10, 3.111195570E-13, 5.618808710E+04, 4.401111760E+00] ), NASA( [ 1000.00, 6000.00], [ 2.508970990E+00, -9.584127510E-06, 3.852100620E-09, -6.689359980E-13, 4.209911720E-17, 5.620830170E+04, 4.949532020E+00] ) ) # note = "L 7/88" ) species(name = "NCO", atoms = " N:1 C:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.754523920E+00, 9.230080370E-03, -9.280066290E-06, 5.625213810E-09, -1.612001440E-12, 2.018429540E+04, 9.853687730E+00] ), NASA( [ 1000.00, 6000.00], [ 5.152557170E+00, 2.309455940E-03, -8.836995190E-07, 1.485253460E-10, -9.088579050E-15, 1.949637500E+04, -2.564063500E+00] ) ) # note = "L12/89" ) species(name = "ND", atoms = " N:1 D:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.720648800E+00, -1.534184800E-03, 3.187742600E-06, -1.509140100E-09, 9.712611400E-14, 4.407275600E+04, 1.649556720E+00] ), NASA( [ 1000.00, 5000.00], [ 2.829703400E+00, 1.658417500E-03, -6.328733300E-07, 1.147768500E-10, -7.831858400E-15, 4.425595100E+04, 6.006628820E+00] ) ) # note = "J 6/77" ) species(name = "ND2", atoms = " N:1 D:2 ", thermo = ( NASA( [ 298.15, 1000.00], [ 4.026978000E+00, -1.408512800E-03, 7.776581500E-06, -6.496757500E-09, 1.755417000E-12, 2.109802800E+04, 1.754842950E+00] ), NASA( [ 1000.00, 5000.00], [ 3.351539100E+00, 3.376316200E-03, -1.321345700E-06, 2.680067900E-10, -2.081017400E-14, 2.107774900E+04, 4.373879750E+00] ) ) # note = "J 6/77" ) species(name = "ND3", atoms = " N:1 D:3 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.942783900E+00, 5.103529100E-03, 2.739282100E-06, -4.684766200E-09, 1.627667400E-12, -8.165156300E+03, 6.155220380E+00] ), NASA( [ 1000.00, 5000.00], [ 3.196156600E+00, 6.731175800E-03, -2.642340000E-06, 4.763086800E-10, -3.280482800E-14, -8.396652700E+03, 4.162907180E+00] ) ) # note = "J 6/77" ) species(name = "NF", atoms = " N:1 F:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.599279990E+00, -2.181907880E-03, 1.141068530E-05, -1.400684940E-08, 5.533326380E-12, 2.697025250E+04, 5.355736030E+00] ), NASA( [ 1000.00, 6000.00], [ 4.060422920E+00, 3.506548500E-04, -6.957218150E-08, 1.459254540E-11, -1.563724010E-15, 2.667119820E+04, 2.087748050E+00] ) ) # note = "TPIS89" ) species(name = "NF2", atoms = " N:1 F:2 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.182338100E+00, 1.307000800E-02, -1.514788700E-05, 8.233646000E-09, -1.685886400E-12, 3.026324700E+03, 1.429673600E+01] ), NASA( [ 1000.00, 5000.00], [ 5.671099800E+00, 1.524906400E-03, -6.643205000E-07, 1.298820900E-10, -9.348916200E-15, 2.172891800E+03, -3.217337260E+00] ) ) # note = "TPIS78" ) species(name = "NF3", atoms = " N:1 F:3 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.474128700E-01, 3.075047900E-02, -4.258608600E-05, 2.884320900E-08, -7.703465500E-12, -1.698750400E+04, 2.187349380E+01] ), NASA( [ 1000.00, 5000.00], [ 7.841996400E+00, 2.692759200E-03, -1.080130600E-06, 2.122125600E-10, -1.528812400E-14, -1.866843200E+04, -1.497089220E+01] ) ) # note = "L12/86" ) species(name = "NH", atoms = " N:1 H:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.492950370E+00, 3.117957220E-04, -1.489066280E-06, 2.481674030E-09, -1.035709160E-12, 4.189429400E+04, 1.848349740E+00] ), NASA( [ 1000.00, 6000.00], [ 2.783726450E+00, 1.329858860E-03, -4.247855650E-07, 7.834944250E-11, -5.504512980E-15, 4.213451630E+04, 5.740848570E+00] ) ) # note = "L11/89" ) species(name = "NH+", atoms = " N:1 H:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 4.616111360E+00, -3.134356770E-03, 2.917051300E-06, 2.573848480E-10, -7.314313470E-13, 1.990850430E+05, -2.927584600E+00] ), NASA( [ 1000.00, 6000.00], [ 2.959189800E+00, 1.349917190E-03, -4.614877820E-07, 8.269776660E-11, -5.557589130E-15, 1.995245050E+05, 5.599780210E+00] ) ) # note = "L 2/89" ) species(name = "NHF", atoms = " N:1 H:1 F:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.507904900E+00, 1.468857000E-03, 5.138931900E-06, -7.076429300E-09, 2.731565200E-12, 1.232662100E+04, 7.162800560E+00] ), NASA( [ 1000.00, 5000.00], [ 3.705515600E+00, 3.059283800E-03, -1.194818900E-06, 2.153204100E-10, -1.447128500E-14, 1.217131700E+04, 5.630128460E+00] ) ) # note = "TPIS78" ) species(name = "NHF2", atoms = " N:1 H:1 F:2 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.206748100E+00, 1.187740100E-02, -5.501269300E-06, -2.191121900E-09, 1.974618100E-12, -1.352214100E+04, 1.455103120E+01] ), NASA( [ 1000.00, 5000.00], [ 5.287561500E+00, 4.633233000E-03, -1.877374900E-06, 3.469930300E-10, -2.403675000E-14, -1.442363300E+04, -1.644628150E+00] ) ) # note = "TPIS78" ) species(name = "NH2", atoms = " N:1 H:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.205568570E+00, -2.135613630E-03, 7.268513010E-06, -5.930698760E-09, 1.806909780E-12, 2.153522310E+04, -1.466627700E-01] ), NASA( [ 1000.00, 6000.00], [ 2.847689920E+00, 3.142800350E-03, -8.986414580E-07, 1.303182840E-10, -7.488129260E-15, 2.182390490E+04, 6.471654330E+00] ) ) # note = "L12/89" ) species(name = "NH2F", atoms = " N:1 H:2 F:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.646342700E+00, -1.122991400E-03, 1.715608600E-05, -1.903336800E-08, 6.738459500E-12, -1.017500200E+04, 6.557271070E+00] ), NASA( [ 1000.00, 5000.00], [ 3.031688600E+00, 6.422393700E-03, -2.483275400E-06, 4.437033100E-10, -2.998110000E-14, -1.030216700E+04, 8.277199870E+00] ) ) # note = "TPIS78" ) species(name = "NH3", atoms = " N:1 H:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.301778080E+00, -4.771273300E-03, 2.193416190E-05, -2.298564890E-08, 8.289922680E-12, -6.748063940E+03, -6.906443930E-01] ), NASA( [ 1000.00, 6000.00], [ 2.717096920E+00, 5.568563380E-03, -1.768863960E-06, 2.674172600E-10, -1.527314190E-14, -6.584519890E+03, 6.092898370E+00] ) ) # note = "TPIS89" ) species(name = "NH2OH", atoms = " N:1 H:3 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.210160760E+00, 6.196717800E-03, 1.105949130E-05, -1.966682070E-08, 8.825163110E-12, -7.309128390E+03, 7.932936400E+00] ), NASA( [ 1000.00, 6000.00], [ 3.881123620E+00, 8.157087190E-03, -2.826157420E-06, 4.379313300E-10, -2.527249210E-14, -7.587827270E+03, 3.791569010E+00] ) ) # note = "TPIS89" ) species(name = "NH4+", atoms = " N:1 H:4 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 5.022092780E+00, -1.170989600E-02, 3.976001120E-05, -3.694198710E-08, 1.202644830E-11, 7.630297540E+04, -4.205222860E+00] ), NASA( [ 1000.00, 6000.00], [ 1.315703110E+00, 9.649266530E-03, -3.290495950E-06, 5.120453960E-10, -2.984990600E-14, 7.672770440E+04, 1.209309810E+01] ) ) # note = "TPIS89" ) species(name = "NO", atoms = " N:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.218598960E+00, -4.639881240E-03, 1.104430490E-05, -9.340555070E-09, 2.805548740E-12, 9.845099640E+03, 2.280610010E+00] ), NASA( [ 1000.00, 6000.00], [ 3.260712340E+00, 1.191011350E-03, -4.291226460E-07, 6.944814630E-11, -4.032956810E-15, 9.921431320E+03, 6.369005180E+00] ) ) # note = "TPIS89" ) species(name = "NO+", atoms = " N:1 O:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.693012310E+00, -1.342291580E-03, 2.673433950E-06, -1.026093080E-09, -6.956104920E-14, 1.181030550E+05, 3.091266980E+00] ), NASA( [ 1000.00, 6000.00], [ 2.945877020E+00, 1.403252600E-03, -4.955031960E-07, 7.959489730E-11, -4.720766680E-15, 1.182443400E+05, 6.706446410E+00] ) ) # note = "TPIS89" ) species(name = "NOCL", atoms = " N:1 O:1 Cl:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.842936300E+00, 7.307572000E-03, -9.140072600E-06, 6.661175800E-09, -2.050290500E-12, 4.936487200E+03, 7.740794030E+00] ), NASA( [ 1000.00, 5000.00], [ 5.869567600E+00, 9.321847600E-04, -2.523554200E-07, 8.094449300E-11, -9.020372700E-15, 4.371781000E+03, -2.644057570E+00] ) ) # note = "L12/86" ) species(name = "NOF", atoms = " N:1 O:1 F:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.016789000E+00, 9.407459000E-03, -1.141036800E-05, 7.751570000E-09, -2.223288800E-12, -9.048759300E+03, 1.030434230E+01] ), NASA( [ 1000.00, 5000.00], [ 4.987816200E+00, 2.438225000E-03, -1.110404500E-06, 2.454136700E-10, -1.888881300E-14, -9.532831500E+03, 4.591733490E-01] ) ) # note = "TPIS78" ) species(name = "NOF3", atoms = " N:1 O:1 F:3 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.578588300E-01, 4.188482500E-02, -6.273100500E-05, 4.619048300E-08, -1.341202600E-11, -2.393042300E+04, 2.242342370E+01] ), NASA( [ 1000.00, 5000.00], [ 9.816029800E+00, 3.546221500E-03, -1.552126900E-06, 3.016350300E-10, -2.162290900E-14, -2.601812000E+04, -2.459501130E+01] ) ) # note = "TPIS78" ) species(name = "NO2", atoms = " N:1 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.944039070E+00, -1.585474440E-03, 1.665789840E-05, -2.047544780E-08, 7.835032650E-12, 2.896598650E+03, 6.311962250E+00] ), NASA( [ 1000.00, 6000.00], [ 4.884744290E+00, 2.172416390E-03, -8.280790200E-07, 1.574772930E-10, -1.051105490E-14, 2.316484620E+03, -1.173570750E-01] ) ) # note = "L 7/88" ) species(name = "NO2-", atoms = " N:1 O:2 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.097836480E+00, 3.704863120E-03, 5.929389750E-06, -1.094973070E-08, 4.627217210E-12, -2.517983390E+04, 9.482371430E+00] ), NASA( [ 1000.00, 6000.00], [ 5.053292800E+00, 2.075556720E-03, -8.700030770E-07, 1.610742500E-10, -1.034480620E-14, -2.590436160E+04, -1.540650630E+00] ) ) # note = "TPIS89" ) species(name = "NO2CL", atoms = " N:1 O:2 Cl:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.559803900E+00, 1.796931900E-02, -2.026525500E-05, 1.169918300E-08, -2.786337200E-12, 9.879068000E+01, 1.358995820E+01] ), NASA( [ 1000.00, 5000.00], [ 7.120260100E+00, 3.186955700E-03, -1.377989700E-06, 2.665316300E-10, -1.904379600E-14, -1.061534700E+03, -9.454765600E+00] ) ) # note = "L12/86" ) species(name = "NO2F", atoms = " N:1 O:2 F:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.446680800E+00, 2.088405800E-02, -2.388552800E-05, 1.394389400E-08, -3.340250100E-12, -1.428429700E+04, 1.766067000E+01] ), NASA( [ 1000.00, 5000.00], [ 6.710382000E+00, 3.624016600E-03, -1.566602300E-06, 3.026664100E-10, -2.160886600E-14, -1.561104100E+04, -8.881696010E+00] ) ) # note = "L12/86" ) species(name = "NO3", atoms = " N:1 O:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.173593100E+00, 1.049026970E-02, 1.104726500E-05, -2.815618540E-08, 1.365839580E-11, 7.392198770E+03, 1.460220980E+01] ), NASA( [ 1000.00, 6000.00], [ 7.483477340E+00, 2.577720410E-03, -1.009458310E-06, 1.723140720E-10, -1.071540150E-14, 5.709194280E+03, -1.416181550E+01] ) ) # note = "J12/64" ) species(name = "NO3-", atoms = " N:1 O:3 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.212585210E+00, 1.715451930E-02, -1.052704570E-05, -1.160740970E-09, 2.331149980E-12, -3.840777130E+04, 1.799338650E+01] ), NASA( [ 1000.00, 6000.00], [ 6.884047390E+00, 3.160629820E-03, -1.230487820E-06, 2.092579890E-10, -1.297954710E-14, -4.005481520E+04, -1.170870970E+01] ) ) # note = "TPIS89" ) species(name = "NO3F", atoms = " N:1 O:3 F:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.036357100E+00, 2.878409800E-02, -3.484034100E-05, 2.176017300E-08, -5.649643600E-12, 1.850681700E+02, 1.644354280E+01] ), NASA( [ 1000.00, 5000.00], [ 9.289479000E+00, 4.601813700E-03, -2.218706700E-06, 4.512975800E-10, -3.324065400E-14, -1.646851600E+03, -2.008892420E+01] ) ) # note = "L12/86" ) species(name = "N2", atoms = " N:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.531005280E+00, -1.236609870E-04, -5.029994370E-07, 2.435306120E-09, -1.408812350E-12, -1.046976280E+03, 2.967474680E+00] ), NASA( [ 1000.00, 6000.00], [ 2.952576260E+00, 1.396900570E-03, -4.926316910E-07, 7.860103670E-11, -4.607553210E-15, -9.239486450E+02, 5.871892520E+00] ) ) # note = "TPIS78" ) species(name = "N2+", atoms = " N:2 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.775407110E+00, -2.064591570E-03, 4.757523010E-06, -3.156642280E-09, 6.705099730E-13, 1.804811150E+05, 2.693221860E+00] ), NASA( [ 1000.00, 6000.00], [ 3.586613630E+00, 2.530719490E-04, 1.847782140E-07, -4.552572230E-11, 3.268180290E-15, 1.803909940E+05, 3.095841500E+00] ) ) # note = "TPIS89" ) species(name = "N2-", atoms = " N:2 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.882684800E+00, -3.192444600E-03, 8.522783800E-06, -7.340374600E-09, 2.205681500E-12, 1.679693500E+04, 3.111805200E+00] ), NASA( [ 1000.00, 5000.00], [ 3.115675300E+00, 1.458868800E-03, -6.017314800E-07, 1.134842300E-10, -7.965851800E-15, 1.685905800E+04, 6.389856000E+00] ) ) # note = "J 9/77" ) species(name = "NCN", atoms = " N:2 C:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.241340330E+00, 8.500913460E-03, -7.616081400E-06, 3.649865850E-09, -8.425518720E-13, 5.894773700E+04, 6.709564500E+00] ), NASA( [ 1000.00, 6000.00], [ 5.738155140E+00, 1.772446060E-03, -6.857511310E-07, 1.157119800E-10, -7.075679070E-15, 5.822148900E+04, -6.305336650E+00] ) ) # note = "L12/89" ) species(name = "cis-N2D2", atoms = " N:2 D:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.873358990E+00, -2.623287910E-03, 2.630758190E-05, -3.130087440E-08, 1.181099990E-11, 2.369483440E+04, 4.749491600E+00] ), NASA( [ 1000.00, 6000.00], [ 4.514553080E+00, 5.189013180E-03, -1.936842880E-06, 3.205759670E-10, -1.952086240E-14, 2.302303960E+04, -9.526622540E-01] ) ) # note = "J 6/77" ) species(name = "N2F2", atoms = " N:2 F:2 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.805892600E+00, 1.925196700E-02, -2.369774400E-05, 1.461686100E-08, -3.645160300E-12, 5.994441900E+03, 1.148415070E+01] ), NASA( [ 1000.00, 5000.00], [ 7.667192300E+00, 2.594662700E-03, -1.134602300E-06, 2.203526800E-10, -1.578865800E-14, 4.813999900E+03, -1.282929130E+01] ) ) # note = "L12/86" ) species(name = "N2F4", atoms = " N:2 F:4 ", thermo = ( NASA( [ 298.15, 1000.00], [ 9.878129400E-01, 5.002952400E-02, -7.367670800E-05, 5.252345500E-08, -1.471296100E-11, -4.610108600E+03, 2.048571920E+01] ), NASA( [ 1000.00, 5000.00], [ 1.291506600E+01, 3.508136200E-03, -1.554689000E-06, 3.045621800E-10, -2.195235400E-14, -7.200818900E+03, -3.771089980E+01] ) ) # note = "L12/86" ) species(name = "N2H2", atoms = " N:2 H:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.910660160E+00, -1.077918660E-02, 3.865164410E-05, -3.865016280E-08, 1.348521000E-11, 2.422427270E+04, 9.102797030E-02] ), NASA( [ 1000.00, 6000.00], [ 1.311150860E+00, 9.001872720E-03, -3.149118660E-06, 4.814496900E-10, -2.718979830E-14, 2.478641670E+04, 1.640910850E+01] ) ) # note = "L 5/90" ) species(name = "NH2NO2", atoms = " N:2 H:2 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.173101050E+00, 1.431622990E-02, 1.090316190E-05, -2.767146770E-08, 1.298686870E-11, -4.459061210E+03, 1.538311660E+01] ), NASA( [ 1000.00, 6000.00], [ 7.388909980E+00, 7.651880260E-03, -2.750870390E-06, 4.446228860E-10, -2.664881220E-14, -6.217670340E+03, -1.327370000E+01] ) ) # note = "TPIS89" ) species(name = "N2H4", atoms = " N:2 H:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.834721490E+00, -6.491295550E-04, 3.768484630E-05, -5.007091820E-08, 2.033620640E-11, 1.008939250E+04, 5.752720300E+00] ), NASA( [ 1000.00, 6000.00], [ 4.939573570E+00, 8.750171870E-03, -2.993990580E-06, 4.672784180E-10, -2.730685990E-14, 9.282655480E+03, -2.694397720E+00] ) ) # note = "L 5/90" ) species(name = "N2O", atoms = " N:2 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.257168600E+00, 1.130463380E-02, -1.367103500E-05, 9.681620980E-09, -2.930555830E-12, 8.741771460E+03, 1.075791540E+01] ), NASA( [ 1000.00, 6000.00], [ 4.823188730E+00, 2.626852790E-03, -9.584260580E-07, 1.599912960E-10, -9.774169390E-15, 8.073356620E+03, -2.202366000E+00] ) ) # note = "L 7/88" ) species(name = "N2O+", atoms = " N:2 O:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.286889780E+00, 7.402345630E-03, -4.866885520E-06, 7.331410380E-10, 2.981616830E-13, 1.590545470E+05, 7.401465040E+00] ), NASA( [ 1000.00, 6000.00], [ 5.528597300E+00, 1.959569700E-03, -7.537582280E-07, 1.270459110E-10, -7.802076250E-15, 1.583759020E+05, -4.418967000E+00] ) ) # note = "J12/70" ) species(name = "N2O3", atoms = " N:2 O:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.810839640E+00, 1.433309620E-02, -1.962085970E-05, 1.730607350E-08, -6.465539540E-12, 8.191844530E+03, 1.204613210E+00] ), NASA( [ 1000.00, 6000.00], [ 9.085838450E+00, 3.377563300E-03, -1.315838900E-06, 2.307623290E-10, -1.471512670E-14, 7.271601460E+03, -1.553619040E+01] ) ) # note = "L 4/90" ) species(name = "N2O4", atoms = " N:2 O:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.020023080E+00, 2.959043210E-02, -3.013424580E-05, 1.423604070E-08, -2.441000490E-12, -6.400401620E+02, 1.180596060E+01] ), NASA( [ 1000.00, 6000.00], [ 1.157528990E+01, 4.016160860E-03, -1.571783230E-06, 2.682743090E-10, -1.669220190E-14, -2.921912260E+03, -3.194884390E+01] ) ) # note = "TPIS89" ) species(name = "N2O5", atoms = " N:2 O:5 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.687674440E+00, 3.921207980E-02, -5.537700290E-05, 4.200978330E-08, -1.312607100E-11, -8.302911840E+02, 1.219678660E+01] ), NASA( [ 1000.00, 6000.00], [ 1.311080820E+01, 4.874357910E-03, -1.875483890E-06, 3.163741210E-10, -1.959268450E-14, -3.116347000E+03, -3.468776920E+01] ) ) # note = "L 4/90" ) species(name = "N3", atoms = " N:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.860630380E+00, 4.248835490E-03, 5.145721360E-06, -1.014784060E-08, 4.418783980E-12, 5.136920930E+04, 9.115961310E+00] ), NASA( [ 1000.00, 6000.00], [ 4.641106960E+00, 2.769607000E-03, -1.049175820E-06, 1.753407200E-10, -1.074827040E-14, 5.069842380E+04, -9.401354560E-01] ) ) # note = "TPIS89" ) species(name = "N3H", atoms = " N:3 H:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.885108810E+00, 9.443434510E-03, -3.879193360E-06, -1.894040110E-09, 1.601841320E-12, 3.411720380E+04, 9.716878180E+00] ), NASA( [ 1000.00, 6000.00], [ 5.147002910E+00, 4.305612650E-03, -1.527045750E-06, 2.462957740E-10, -1.471441640E-14, 3.342839860E+04, -2.255291030E+00] ) ) # note = "L 7/88" ) species(name = "Na", atoms = " Na:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000050E+00, -4.984923230E-10, 1.760340860E-12, -2.544616020E-15, 1.276038720E-18, 1.215977520E+04, 4.244027730E+00] ), NASA( [ 1000.00, 6000.00], [ 2.398588790E+00, 2.154669970E-04, -1.490775680E-07, 3.668217950E-11, -1.660360370E-15, 1.219430690E+04, 4.791811200E+00] ) ) # note = "L 4/93" ) species(name = "Na+", atoms = " Na:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 7.254132500E+04, 3.550845040E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 7.254132500E+04, 3.550845040E+00] ) ) # note = "J12/83" ) species(name = "NaALF4", atoms = " Na:1 Al:1 F:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.305214500E+00, 4.496803400E-02, -7.432378700E-05, 5.808086100E-08, -1.749955600E-11, -2.241498800E+05, 6.371845990E+00] ), NASA( [ 1000.00, 5000.00], [ 1.427155300E+01, 1.980019100E-03, -8.815148400E-07, 1.732214800E-10, -1.251291500E-14, -2.261234700E+05, -4.127551800E+01] ) ) # note = "J12/79" ) species(name = "NaBO2", atoms = " Na:1 B:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.065474900E+00, 1.345492600E-02, -1.386669300E-05, 6.639504200E-09, -1.072867100E-12, -7.970015700E+04, 7.934816290E+00] ), NASA( [ 1000.00, 5000.00], [ 7.496525000E+00, 2.630986200E-03, -1.097913600E-06, 2.049399800E-10, -1.419314600E-14, -8.057859100E+04, -9.446301810E+00] ) ) # note = "J 6/71" ) species(name = "NaBr", atoms = " Na:1 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.901089000E+00, 2.502540100E-03, -3.885108800E-06, 2.831849700E-09, -7.722052800E-13, -1.855616100E+04, 6.188793230E+00] ), NASA( [ 1000.00, 5000.00], [ 4.443313500E+00, 1.578365700E-04, -2.798961900E-08, 5.384903800E-12, -3.809405400E-16, -1.865948900E+04, 3.608582130E+00] ) ) # note = "J 9/64" ) species(name = "NaCN", atoms = " Na:1 C:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.977255800E+00, 5.322593700E-03, -7.555244100E-06, 6.183979400E-09, -2.007142700E-12, 9.673149000E+03, -3.882072810E-01] ), NASA( [ 1000.00, 5000.00], [ 5.798977500E+00, 1.682794600E-03, -6.743792400E-07, 1.223450200E-10, -8.296609100E-15, 9.493344400E+03, -4.344260410E+00] ) ) # note = "J3/66 " ) species(name = "NaCL", atoms = " Na:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.703228600E+00, 3.199760800E-03, -4.892450200E-06, 3.463921800E-09, -9.135752100E-13, -2.302827600E+04, 5.773479490E+00] ), NASA( [ 1000.00, 5000.00], [ 4.428293100E+00, 1.562724100E-04, -2.810838300E-08, 4.716357100E-12, -2.883255700E-16, -2.317090000E+04, 2.300974590E+00] ) ) # note = "J12/64" ) species(name = "NaF", atoms = " Na:1 F:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.748718330E+00, 8.032432890E-03, -1.515635230E-05, 1.335922460E-08, -4.451652440E-12, -3.600020740E+04, 8.681078120E+00] ), NASA( [ 1000.00, 6000.00], [ 4.333767960E+00, 2.568077770E-04, -6.942326210E-08, 1.196796170E-11, -7.493083930E-16, -3.627978720E+04, 1.300463540E+00] ) ) # note = "J12/68" ) species(name = "NaF2-", atoms = " Na:1 F:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.582688900E+00, 1.060521100E-02, -1.572050100E-05, 1.056729700E-08, -2.641592000E-12, -8.223449700E+04, 1.489207610E+00] ), NASA( [ 1000.00, 5000.00], [ 7.122319300E+00, 4.188405500E-04, -1.797229900E-07, 3.404122900E-11, -2.375193500E-15, -8.275573000E+04, -1.078667450E+01] ) ) # note = "J12/68" ) species(name = "NaH", atoms = " Na:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.120395000E+00, 1.399621700E-03, 2.214123400E-06, -3.995079500E-09, 1.672617800E-12, 1.394006500E+04, 4.394561140E+00] ), NASA( [ 1000.00, 5000.00], [ 3.813057900E+00, 8.564380000E-04, -3.122681600E-07, 5.850247100E-11, -4.051392400E-15, 1.368306200E+04, 4.841680870E-01] ) ) # note = "J 3/63" ) species(name = "NaI", atoms = " Na:1 I:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.040627500E+00, 1.968711100E-03, -3.054542400E-06, 2.255632300E-09, -6.228683200E-13, -1.198804100E+04, 6.459801050E+00] ), NASA( [ 1000.00, 5000.00], [ 4.458457000E+00, 1.424127800E-04, -1.692627500E-08, 3.896008700E-12, -2.796631100E-16, -1.206684300E+04, 4.475958750E+00] ) ) # note = "L 6/72" ) species(name = "NaO", atoms = " Na:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.442100700E+00, 4.161724100E-03, -6.311836800E-06, 4.447919900E-09, -1.172048600E-12, 8.901147700E+03, 6.950325330E+00] ), NASA( [ 1000.00, 5000.00], [ 4.392415800E+00, 2.132057400E-04, -4.522059800E-08, 7.975182100E-12, -5.173598900E-16, 8.711899500E+03, 2.388089630E+00] ) ) # note = "J12/67" ) species(name = "NaO-", atoms = " Na:1 O:1 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.418685500E+00, 4.211738200E-03, -6.310464600E-06, 4.387351500E-09, -1.137263900E-12, -1.575223400E+04, 5.668556390E+00] ), NASA( [ 1000.00, 5000.00], [ 4.386800800E+00, 2.234467200E-04, -4.821247200E-08, 8.572086200E-12, -5.609433400E-16, -1.594626800E+04, 1.013634790E+00] ) ) # note = "J12/67" ) species(name = "NaOH", atoms = " Na:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.005038800E+00, 9.992204300E-03, -1.643421300E-05, 1.247658500E-08, -3.463761000E-12, -2.530047100E+04, 2.306436040E+00] ), NASA( [ 1000.00, 5000.00], [ 5.646937700E+00, 1.222738500E-03, -3.327103600E-07, 4.066629800E-11, -1.779068800E-15, -2.550822200E+04, -5.036874660E+00] ) ) # note = "J12/70" ) species(name = "NaOH+", atoms = " Na:1 O:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.350520400E+00, 8.746501500E-03, -1.464267300E-05, 1.135150100E-08, -3.211002600E-12, 7.994639900E+04, 2.344840720E+00] ), NASA( [ 1000.00, 5000.00], [ 5.668854700E+00, 1.225393000E-03, -3.402956300E-07, 4.285326800E-11, -1.959376000E-15, 7.980651400E+04, -3.424682680E+00] ) ) # note = "J12/71" ) species(name = "Na2", atoms = " Na:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.115682610E+00, 2.529040400E-03, -5.621686450E-06, 6.461716650E-09, -2.751283100E-12, 1.578246160E+04, 3.686724330E+00] ), NASA( [ 1000.00, 6000.00], [ 5.962019000E+00, -1.060495060E-03, -4.392797690E-07, 3.051748100E-10, -3.394888160E-14, 1.499909270E+04, -6.696136470E+00] ) ) # note = "J12/83" ) species(name = "Na2C2N2", atoms = " Na:2 C:2 N:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.036802900E+01, 1.334854700E-02, -1.991033400E-05, 1.615647500E-08, -5.126455000E-12, -4.593752700E+03, -2.054944290E+01] ), NASA( [ 1000.00, 5000.00], [ 1.257278600E+01, 3.394731800E-03, -1.361693400E-06, 2.472095900E-10, -1.677325400E-14, -5.049102100E+03, -3.107419790E+01] ) ) # note = "J 3/66" ) species(name = "Na2CL2", atoms = " Na:2 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.958395300E+00, 8.396236000E-03, -1.381711600E-05, 1.027766600E-08, -2.864499400E-12, -7.072593900E+04, -8.175324710E+00] ), NASA( [ 1000.00, 5000.00], [ 9.826200100E+00, 1.918476300E-04, -8.160874300E-08, 1.529818100E-11, -1.055899400E-15, -7.107714900E+04, -1.703610090E+01] ) ) # note = "J12/64" ) species(name = "Na2F2", atoms = " Na:2 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.821219100E+00, 1.983639600E-02, -3.061761400E-05, 2.133704000E-08, -5.534431400E-12, -1.038900500E+05, 2.366254590E+00] ), NASA( [ 1000.00, 5000.00], [ 9.433553000E+00, 6.361158800E-04, -2.762472000E-07, 5.291719000E-11, -3.731035300E-15, -1.048011400E+05, -1.975299210E+01] ) ) # note = "J12/68" ) species(name = "Na2O", atoms = " Na:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.778717700E+00, 9.948771600E-03, -1.481445600E-05, 1.000323900E-08, -2.513787400E-12, -6.736020600E+03, 1.799476190E+00] ), NASA( [ 1000.00, 5000.00], [ 7.147058200E+00, 3.983309900E-04, -1.740891100E-07, 3.356516200E-11, -2.381080100E-15, -7.219126100E+03, -9.634810610E+00] ) ) # note = "L10/74" ) species(name = "Na2O2H2", atoms = " Na:2 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.971293000E+00, 1.404927500E-02, -6.244514200E-06, -3.393574600E-09, 2.893376900E-12, -7.541293800E+04, -9.373864530E-01] ), NASA( [ 1000.00, 5000.00], [ 9.416074300E+00, 5.519652200E-03, -1.965961100E-06, 3.268034400E-10, -2.071248500E-14, -7.636636900E+04, -1.885434970E+01] ) ) # note = "J12/70" ) species(name = "Na2SO4", atoms = " Na:2 S:1 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.072749800E+00, 5.458204700E-02, -7.854353300E-05, 5.510422100E-08, -1.526667600E-11, -1.267695500E+05, 1.666882630E+01] ), NASA( [ 1000.00, 5000.00], [ 1.520612800E+01, 4.298426400E-03, -1.900840900E-06, 3.718753000E-10, -2.678045700E-14, -1.296735700E+05, -4.765692170E+01] ) ) # note = "J 6/78" ) species(name = "Nb", atoms = " Nb:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.475507400E+00, 2.053856400E-03, -6.967026300E-06, 6.802055900E-09, -2.251771800E-12, 8.708774900E+04, 2.242436970E+00] ), NASA( [ 1000.00, 5000.00], [ 4.220590500E+00, -1.818743900E-03, 8.237394300E-07, -1.183289900E-10, 5.363705300E-15, 8.696071300E+04, -1.184686430E+00] ) ) # note = "J12/73" ) species(name = "NbO", atoms = " Nb:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.921448500E+00, 3.132408200E-03, -1.490036900E-06, -9.934526000E-10, 7.998402000E-13, 2.290788600E+04, 1.123629370E+01] ), NASA( [ 1000.00, 5000.00], [ 3.881172900E+00, 8.197812200E-04, -4.253539000E-07, 1.026493600E-10, -8.041980100E-15, 2.263713200E+04, 6.223641510E+00] ) ) # note = "J12/73" ) species(name = "NbO2", atoms = " Nb:1 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.576726810E+00, 6.358956280E-03, -5.964422090E-07, -6.342289560E-09, 3.708328210E-12, -2.538731850E+04, 1.062570080E+01] ), NASA( [ 1000.00, 6000.00], [ 6.051479480E+00, 9.751537070E-04, -3.826971080E-07, 6.541504200E-11, -4.071590790E-15, -2.610086450E+04, -2.400156630E+00] ) ) # note = "J12/73" ) species(name = "Ne", atoms = " Ne:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 3.355322720E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 3.355322720E+00] ) ) # note = "L10/90" ) species(name = "Ne+", atoms = " Ne:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.941069170E+00, 4.400165520E-03, -8.570474170E-06, 6.996916890E-09, -2.115736250E-12, 2.502942750E+05, 6.991786940E+00] ), NASA( [ 1000.00, 6000.00], [ 2.903995570E+00, -3.637946350E-04, 1.318733590E-07, -2.142092100E-11, 1.287784990E-15, 2.501437260E+05, 2.563103320E+00] ) ) # note = "L10/92" ) species(name = "Ni", atoms = " Ni:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.776665400E+00, -7.522063800E-04, 4.325611300E-06, -5.473128700E-09, 2.110756500E-12, 5.090908300E+04, 6.168232530E+00] ), NASA( [ 1000.00, 5000.00], [ 3.206149000E+00, -2.096992300E-04, -2.283644800E-08, 1.508521100E-11, -1.000444500E-15, 5.070812600E+04, 3.531716230E+00] ) ) # note = "J12/76" ) species(name = "NiCL", atoms = " Ni:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.489775700E+00, 3.183793000E-03, -1.914891200E-06, -3.573631700E-10, 4.607476800E-13, 2.072593500E+04, 9.549744360E+00] ), NASA( [ 1000.00, 5000.00], [ 5.583651400E+00, -1.432957800E-03, 8.520772300E-07, -1.488639300E-10, 8.155162400E-15, 2.005650500E+04, -1.637321440E+00] ) ) # note = "J 9/77" ) species(name = "NiCL2", atoms = " Ni:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.560617700E+00, 1.361371300E-02, -2.366013300E-05, 1.961626400E-08, -6.241729100E-12, -1.068357100E+04, 6.236194160E+00] ), NASA( [ 1000.00, 5000.00], [ 7.387453000E+00, 8.463759500E-04, -4.314954200E-07, 9.359084600E-11, -7.191513900E-15, -1.123585700E+04, -7.188951040E+00] ) ) # note = "J 9/77" ) species(name = "NiO", atoms = " Ni:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.991968200E+00, 3.330920800E-03, -1.535247100E-06, -1.564083300E-09, 1.212850100E-12, 3.674209400E+04, 9.821407360E+00] ), NASA( [ 1000.00, 5000.00], [ 4.104611400E+00, 4.865916000E-04, -1.878678400E-07, 3.553185500E-11, -2.471516600E-15, 3.644564500E+04, 4.076796560E+00] ) ) # note = "L 2/84" ) species(name = "NiS", atoms = " Ni:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.116810700E+00, 4.017352800E-03, -1.558391100E-06, -1.506353600E-09, 9.368388100E-13, 4.189685700E+04, 1.146773510E+01] ), NASA( [ 1000.00, 5000.00], [ 4.916047200E+00, 3.137745100E-04, -2.970181300E-07, 8.017972400E-11, -6.725741800E-15, 4.132103200E+04, 1.818987970E+00] ) ) # note = "J12/76" ) species(name = "O", atoms = " O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, 2.112659710E-12, 2.912225920E+04, 2.051933460E+00] ), NASA( [ 1000.00, 6000.00], [ 2.543636970E+00, -2.731624860E-05, -4.190295200E-09, 4.954818450E-12, -4.795536940E-16, 2.922601200E+04, 4.922294570E+00] ) ) # note = "L 1/90" ) species(name = "O+", atoms = " O:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.879352910E+05, 4.393376890E+00] ), NASA( [ 1000.00, 6000.00], [ 2.487733170E+00, 2.176600160E-05, -1.089558060E-08, 1.259092120E-12, 1.373167200E-16, 1.879399650E+05, 4.461340910E+00] ) ) # note = "L 1/90" ) species(name = "O-", atoms = " O:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.908059210E+00, -1.698049070E-03, 2.980699560E-06, -2.438351270E-09, 7.612293130E-13, 1.141383410E+04, 2.803390840E+00] ), NASA( [ 1000.00, 6000.00], [ 2.544748680E+00, -4.666954190E-05, 1.849123100E-08, -3.181591310E-12, 1.989628940E-16, 1.148227130E+04, 4.521310050E+00] ) ) # note = "TPIS89" ) species(name = "OD", atoms = " O:1 D:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.034675100E+00, -2.456131300E-03, 3.961020100E-06, -1.853499600E-09, 1.929534100E-13, 3.277050700E+03, 3.941861410E-01] ), NASA( [ 1000.00, 5000.00], [ 2.782910700E+00, 1.573956700E-03, -5.702078700E-07, 9.886440900E-11, -6.506201400E-15, 3.575981300E+03, 6.675671330E+00] ) ) # note = "J 6/77" ) species(name = "OH", atoms = " O:1 H:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, 1.364114700E-12, 3.615080560E+03, -1.039254580E-01] ), NASA( [ 1000.00, 6000.00], [ 2.838646070E+00, 1.107255860E-03, -2.939149780E-07, 4.205242470E-11, -2.421690920E-15, 3.943958520E+03, 5.844526620E+00] ) ) # note = "TPIS78" ) species(name = "OH+", atoms = " O:1 H:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.505025720E+00, 2.413137490E-04, -1.422009490E-06, 2.647802320E-09, -1.170387110E-12, 1.541271240E+05, 1.979076400E+00] ), NASA( [ 1000.00, 6000.00], [ 2.683589970E+00, 1.570064320E-03, -5.399728050E-07, 9.376438590E-11, -5.700680550E-15, 1.543957440E+05, 6.443759010E+00] ) ) # note = "TPIS78" ) species(name = "OH-", atoms = " O:1 H:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.432799560E+00, 6.196563100E-04, -1.899309920E-06, 2.373659460E-09, -8.551037550E-13, -1.826130860E+04, 1.060536570E+00] ), NASA( [ 1000.00, 6000.00], [ 2.834057010E+00, 1.070580230E-03, -2.624593980E-07, 3.083764350E-11, -1.313838620E-15, -1.801869740E+04, 4.494647490E+00] ) ) # note = "L 3/93" ) species(name = "O2", atoms = " O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.782456360E+00, -2.996734150E-03, 9.847302000E-06, -9.681295080E-09, 3.243728360E-12, -1.063943560E+03, 3.657675730E+00] ), NASA( [ 1000.00, 6000.00], [ 3.660960830E+00, 6.563655230E-04, -1.411494850E-07, 2.057976580E-11, -1.299132480E-15, -1.215977250E+03, 3.415361840E+00] ) ) # note = "TPIS89" ) species(name = "O2+", atoms = " O:2 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 4.610171670E+00, -6.359519520E-03, 1.424256240E-05, -1.209979230E-08, 3.709568780E-12, 1.397422290E+05, -2.013268740E-01] ), NASA( [ 1000.00, 6000.00], [ 3.316759220E+00, 1.115222440E-03, -3.834925560E-07, 5.727846870E-11, -2.776483810E-15, 1.398768230E+05, 5.447264760E+00] ) ) # note = "TPIS89" ) species(name = "O2-", atoms = " O:2 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.664425220E+00, -9.287411380E-04, 6.454770820E-06, -7.747033800E-09, 2.933326620E-12, -6.870769830E+03, 4.351406740E+00] ), NASA( [ 1000.00, 6000.00], [ 3.956662940E+00, 5.981418230E-04, -2.121339050E-07, 3.632675810E-11, -2.249892280E-15, -7.062872290E+03, 2.278710100E+00] ) ) # note = "L 4/89" ) species(name = "O3", atoms = " O:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.407382210E+00, 2.053790630E-03, 1.384860520E-05, -2.233115420E-08, 9.760732260E-12, 1.586449790E+04, 8.282475800E+00] ), NASA( [ 1000.00, 6000.00], [ 1.233029140E+01, -1.193247830E-02, 7.987412780E-06, -1.771945520E-09, 1.260758240E-13, 1.267558310E+04, -4.088233740E+01] ) ) # note = "L 5/90" ) species(name = "P", atoms = " P:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500042780E+00, -4.389686370E-07, 1.581317410E-09, -2.339004570E-12, 1.205109400E-15, 3.730737540E+04, 5.384147290E+00] ), NASA( [ 1000.00, 6000.00], [ 2.807215550E+00, -5.308419880E-04, 2.445430460E-07, -2.057082520E-11, -2.945466190E-16, 3.718927480E+04, 3.677647330E+00] ) ) # note = "J12/82" ) species(name = "P+", atoms = " P:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.379041700E+00, -6.466672300E-03, 8.934096200E-06, -5.485802100E-09, 1.209885700E-12, 1.596478070E+05, -3.293740210E+00] ), NASA( [ 1000.00, 5000.00], [ 2.902154700E+00, -5.887889900E-04, 3.129811900E-07, -5.972753900E-11, 3.930492500E-15, 1.599441270E+05, 3.833706490E+00] ) ) # note = "L12/66" ) species(name = "PCL3", atoms = " P:1 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.259053700E+00, 1.788056600E-02, -2.731758500E-05, 1.889824000E-08, -4.873849600E-12, -3.686443040E+04, 3.252329700E+00] ), NASA( [ 1000.00, 5000.00], [ 9.456611600E+00, 6.027840100E-04, -2.584687800E-07, 4.890428000E-11, -3.408328500E-15, -3.770455740E+04, -1.692964980E+01] ) ) # note = "J 6/70" ) species(name = "PF", atoms = " P:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.676086300E+00, 5.572216200E-03, -7.283779600E-06, 4.581943900E-09, -1.118810600E-12, -7.289161350E+03, 1.043418310E+01] ), NASA( [ 1000.00, 5000.00], [ 4.284440300E+00, 4.651319200E-05, 1.292315500E-07, -3.545968600E-11, 2.930864200E-15, -7.675664950E+03, 2.401963810E+00] ) ) # note = "J 6/77" ) species(name = "PF+", atoms = " P:1 F:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.940212200E+00, -5.378458200E-04, 3.935610600E-06, -4.672619400E-09, 1.744583800E-12, 1.072525970E+05, 4.518503280E+00] ), NASA( [ 1000.00, 5000.00], [ 4.081618400E+00, 4.950691000E-04, -2.031980800E-07, 3.923484700E-11, -2.783033700E-15, 1.071458470E+05, 3.444416680E+00] ) ) # note = "J 6/77" ) species(name = "PF-", atoms = " P:1 F:1 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.595137600E+00, 3.031290900E-03, -4.406291400E-06, 3.158347500E-09, -8.920626700E-13, -2.090409440E+04, 5.869906520E+00] ), NASA( [ 1000.00, 5000.00], [ 4.303769100E+00, 2.639263000E-04, -9.877430300E-08, 1.871182100E-11, -1.211025200E-15, -2.105814440E+04, 2.412291520E+00] ) ) # note = "J 6/77" ) species(name = "PF2", atoms = " P:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.442852600E+00, 1.518633100E-02, -2.219692400E-05, 1.564893200E-08, -4.329837200E-12, -5.996098040E+04, 1.403711700E+01] ), NASA( [ 1000.00, 5000.00], [ 6.092658800E+00, 1.031332400E-03, -4.537102000E-07, 8.704558300E-11, -5.971405200E-15, -6.075532540E+04, -3.785130070E+00] ) ) # note = "J 6/77" ) species(name = "PF2+", atoms = " P:1 F:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.470213600E+00, 1.492267600E-02, -2.157313900E-05, 1.505438600E-08, -4.126710900E-12, 5.556554060E+04, 1.326367400E+01] ), NASA( [ 1000.00, 5000.00], [ 6.072615400E+00, 1.058824900E-03, -4.675816600E-07, 8.961229800E-11, -6.045421700E-15, 5.477693960E+04, -4.351671580E+00] ) ) # note = "J 6/77" ) species(name = "PF3", atoms = " P:1 F:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.362187800E+00, 2.282004500E-02, -2.765664200E-05, 1.449096200E-08, -2.460236000E-12, -1.167769030E+05, 1.368643200E+01] ), NASA( [ 1000.00, 5000.00], [ 8.434773300E+00, 1.739392000E-03, -7.511980800E-07, 1.434424700E-10, -1.009397900E-14, -1.181807830E+05, -1.646360200E+01] ) ) # note = "J12/69" ) species(name = "PF5", atoms = " P:1 F:5 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.052324900E+00, 4.445400400E-02, -5.390142900E-05, 2.841668600E-08, -4.914326800E-12, -1.936323130E+05, 1.908901000E+01] ), NASA( [ 1000.00, 5000.00], [ 1.284618400E+01, 3.510448500E-03, -1.519860400E-06, 2.910190400E-10, -2.053470800E-14, -1.963622630E+05, -3.947554200E+01] ) ) # note = "J12/69" ) species(name = "PH", atoms = " P:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.680343300E+00, -1.275601800E-03, 2.593244200E-06, -8.435410700E-10, -1.720860900E-13, 2.733396560E+04, 2.918641250E+00] ), NASA( [ 1000.00, 5000.00], [ 3.074544200E+00, 1.169894700E-03, -3.038165400E-07, 4.443631400E-11, -2.700097500E-15, 2.742683160E+04, 5.768048550E+00] ) ) # note = "J 6/67" ) species(name = "PH3", atoms = " P:1 H:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.158193500E+00, 2.494149200E-03, 9.025525300E-06, -1.022790400E-08, 3.283425000E-12, -4.612372520E+02, 6.237224860E+00] ), NASA( [ 1000.00, 5000.00], [ 3.344879400E+00, 6.577094100E-03, -2.633675500E-06, 4.774466000E-10, -3.235439000E-14, -8.161767520E+02, 3.954796260E+00] ) ) # note = "J 6/62" ) species(name = "PO", atoms = " P:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.961308000E+00, -2.123539900E-03, 7.520121900E-06, -7.595091200E-09, 2.563759100E-12, -4.698968950E+03, 4.583692210E+00] ), NASA( [ 1000.00, 5000.00], [ 3.842792200E+00, 7.236445600E-04, -2.893419900E-07, 5.301355400E-11, -3.549537300E-15, -4.799454950E+03, 4.552377410E+00] ) ) # note = "J 6/71" ) species(name = "PO2", atoms = " P:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.334527300E+00, 1.250210000E-02, -1.433619500E-05, 7.676216600E-09, -1.540169400E-12, -3.896886540E+04, 1.405443500E+01] ), NASA( [ 1000.00, 5000.00], [ 5.691327800E+00, 1.480686600E-03, -6.542569200E-07, 1.279323100E-10, -9.209927700E-15, -3.979472540E+04, -2.819722010E+00] ) ) # note = "J 9/62" ) species(name = "P2", atoms = " P:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.839110700E+00, 4.826619300E-03, -5.494748800E-06, 2.580050700E-09, -3.223645300E-13, 1.625970730E+04, 8.842410190E+00] ), NASA( [ 1000.00, 5000.00], [ 4.161173300E+00, 3.962080000E-04, -1.558033900E-07, 2.909347400E-11, -2.004245800E-15, 1.594686930E+04, 2.241092490E+00] ) ) # note = "J 6/61" ) species(name = "P4", atoms = " P:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.535330000E+00, 2.412529200E-02, -3.646275900E-05, 2.491690600E-08, -6.329856300E-12, 5.235533590E+03, 7.755895670E+00] ), NASA( [ 1000.00, 5000.00], [ 9.226278900E+00, 8.689412800E-04, -3.775833800E-07, 7.237966600E-11, -5.106610900E-15, 4.090549590E+03, -1.964170490E+01] ) ) # note = "J 6/61" ) species(name = "P4O10", atoms = " P:4 O:10 ", thermo = ( NASA( [ 300.00, 1000.00], [ -4.414288300E+00, 1.375908100E-01, -1.926859800E-04, 1.327206800E-07, -3.631137800E-11, -3.526295230E+05, 4.017822600E+01] ), NASA( [ 1000.00, 5000.00], [ 2.893965900E+01, 1.245209600E-02, -5.485432000E-06, 1.070474300E-09, -7.695685700E-14, -3.601486330E+05, -1.238594470E+02] ) ) # note = "J12/65" ) species(name = "Pb", atoms = " Pb:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.502290050E+00, -2.440536430E-05, 9.170825780E-08, -1.428177710E-10, 7.837621960E-14, 2.273149190E+04, 6.840093220E+00] ), NASA( [ 1000.00, 6000.00], [ 4.163423790E+00, -3.496377230E-03, 2.282631700E-06, -4.767492420E-10, 3.222238000E-14, 2.216874990E+04, -2.135253050E+00] ) ) # note = "J 3/83" ) species(name = "PbBr", atoms = " Pb:1 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.190684000E+00, 1.341117800E-03, -2.097899400E-06, 1.551090800E-09, -4.261791200E-13, 7.236946900E+03, 8.574778190E+00] ), NASA( [ 1000.00, 5000.00], [ 4.726876600E+00, -4.391839000E-04, 3.321558200E-07, -6.530724000E-11, 4.272611200E-15, 7.098895900E+03, 5.867351590E+00] ) ) # note = "J12/73" ) species(name = "PbBr2", atoms = " Pb:1 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.390209100E+00, 2.528905000E-03, -4.190374300E-06, 3.136752300E-09, -8.797674500E-13, -1.454179200E+04, 3.817529290E+00] ), NASA( [ 1000.00, 5000.00], [ 6.947290600E+00, 6.019900100E-05, -2.655668500E-08, 5.159601200E-12, -3.683705000E-16, -1.464544100E+04, 1.180157990E+00] ) ) # note = "J12/73" ) species(name = "PbBr4", atoms = " Pb:1 Br:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.137936600E+01, 6.662587200E-03, -1.094064800E-05, 8.109473900E-09, -2.249557500E-12, -5.849543100E+04, -1.514016800E+01] ), NASA( [ 1000.00, 5000.00], [ 1.285697300E+01, 1.632394000E-04, -7.197039000E-08, 1.397574900E-11, -9.973618700E-16, -5.877209500E+04, -2.214575000E+01] ) ) # note = "J12/73" ) species(name = "PbCL", atoms = " Pb:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.897291200E+00, 2.486746400E-03, -3.915714400E-06, 2.849428300E-09, -7.726658000E-13, 5.686257900E+02, 8.428473640E+00] ), NASA( [ 1000.00, 5000.00], [ 4.701653500E+00, -4.225517100E-04, 3.268477900E-07, -6.516214700E-11, 4.297860200E-15, 3.779799100E+02, 4.437441740E+00] ) ) # note = "J 6/73" ) species(name = "PbCL+", atoms = " Pb:1 Cl:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.960480800E+00, 2.251138400E-03, -3.555930200E-06, 2.613096500E-09, -7.190128400E-13, 8.842137000E+04, 7.587742850E+00] ), NASA( [ 1000.00, 5000.00], [ 4.459169700E+00, 9.740730700E-05, -4.882113400E-09, -2.547224600E-12, 6.247087700E-16, 8.832584700E+04, 5.213100650E+00] ) ) # note = "J 6/73" ) species(name = "PbCL2", atoms = " Pb:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.639940700E+00, 5.462213400E-03, -8.805687200E-06, 6.419723000E-09, -1.751859100E-12, -2.279233600E+04, 4.727904850E+00] ), NASA( [ 1000.00, 5000.00], [ 6.840167800E+00, 2.060130800E-04, -1.002343400E-07, 1.926277200E-11, -8.794141900E-16, -2.301636200E+04, -9.637551090E-01] ) ) # note = "J 6/73" ) species(name = "PbCL2+", atoms = " Pb:1 Cl:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.565387600E+00, 5.746841700E-03, -9.244504100E-06, 6.725688800E-09, -1.831385800E-12, 9.633498500E+04, 5.249054000E+00] ), NASA( [ 1000.00, 5000.00], [ 6.841883700E+00, 1.979247300E-04, -9.656282200E-08, 2.010644000E-11, -1.324657900E-15, 9.609401800E+04, -8.160434800E-01] ) ) # note = "J 6/73" ) species(name = "PbCL4", atoms = " Pb:1 Cl:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 9.628297900E+00, 1.345643800E-02, -2.157173100E-05, 1.563821500E-08, -4.241492200E-12, -6.974648700E+04, -1.213484820E+01] ), NASA( [ 1000.00, 5000.00], [ 1.266967300E+01, 3.751225600E-04, -1.646537000E-07, 3.184885500E-11, -2.265094700E-15, -7.032915100E+04, -2.662383220E+01] ) ) # note = "J12/73" ) species(name = "PbF", atoms = " Pb:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.245448200E+00, 4.693616600E-03, -6.978002800E-06, 4.745930400E-09, -1.198392800E-12, -1.077707300E+04, 1.044373200E+01] ), NASA( [ 1000.00, 5000.00], [ 4.605219600E+00, -3.262221700E-04, 2.829825300E-07, -5.712059400E-11, 3.739781300E-15, -1.108691700E+04, 3.740594230E+00] ) ) # note = "J12/73" ) species(name = "PbF2", atoms = " Pb:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.129569400E+00, 1.056162600E-02, -1.580814400E-05, 1.072574800E-08, -2.709389000E-12, -5.391612100E+04, 9.140424850E+00] ), NASA( [ 1000.00, 5000.00], [ 6.635459300E+00, 4.117310900E-04, -1.800460900E-07, 3.472898400E-11, -2.464526900E-15, -5.442505900E+04, -2.946861950E+00] ) ) # note = "J12/73" ) species(name = "PbF4", atoms = " Pb:1 F:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.274538700E+00, 2.457628200E-02, -3.656753700E-05, 2.466326600E-08, -6.187600800E-12, -1.390091700E+05, -1.529585490E+00] ), NASA( [ 1000.00, 5000.00], [ 1.212777400E+01, 9.842104600E-04, -4.300615900E-07, 8.290242100E-11, -5.880020200E-15, -1.402034500E+05, -2.979094400E+01] ) ) # note = "J12/73" ) species(name = "PbI", atoms = " Pb:1 I:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.307339500E+00, 8.566823200E-04, -1.316455400E-06, 9.718723900E-10, -2.652674400E-13, 1.164574400E+04, 8.941329360E+00] ), NASA( [ 1000.00, 5000.00], [ 4.718611200E+00, -4.188223600E-04, 3.097084700E-07, -5.920335300E-11, 3.877397000E-15, 1.153411000E+04, 6.839194060E+00] ) ) # note = "J12/73" ) species(name = "PbI2", atoms = " Pb:1 I:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.716922500E+00, 1.184987900E-03, -1.979155500E-06, 1.492737800E-09, -4.218964600E-13, -2.422950500E+03, 4.696755990E+00] ), NASA( [ 1000.00, 5000.00], [ 6.976110800E+00, 2.747457100E-05, -1.220421600E-08, 2.386248900E-12, -1.713376800E-16, -2.470789800E+03, 3.471736490E+00] ) ) # note = "J12/73" ) species(name = "PbI4", atoms = " Pb:1 I:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.215026600E+01, 3.538708100E-03, -5.878243400E-06, 4.407215900E-09, -1.237405000E-12, -3.073356500E+04, -1.397813230E+01] ), NASA( [ 1000.00, 5000.00], [ 1.292766100E+01, 8.299828600E-05, -3.678166700E-08, 7.176429400E-12, -5.143095700E-16, -3.087762900E+04, -1.765575930E+01] ) ) # note = "J12/73" ) species(name = "PbO", atoms = " Pb:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.653986700E+00, 6.664411500E-03, -1.031236300E-05, 7.666325900E-09, -2.217386400E-12, 7.443751300E+03, 1.215671300E+01] ), NASA( [ 1000.00, 5000.00], [ 4.113624200E+00, 5.377885700E-04, -2.376339400E-07, 4.242568800E-11, -1.229404400E-15, 7.151926000E+03, 5.150413190E+00] ) ) # note = "J12/71" ) species(name = "PbS", atoms = " Pb:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.477453200E+00, 3.970029500E-03, -6.109668900E-06, 4.300868200E-09, -1.131154900E-12, 1.468475100E+04, 9.477809410E+00] ), NASA( [ 1000.00, 5000.00], [ 4.091152200E+00, 8.388535900E-04, -5.715720700E-07, 1.616047600E-10, -1.251189700E-14, 1.460169500E+04, 6.700748010E+00] ) ) # note = "J 6/73" ) species(name = "Pb2", atoms = " Pb:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.050122200E+00, 2.023000100E-03, -2.970134600E-06, 2.178595700E-09, -5.975532700E-13, 3.873164000E+04, 1.027199200E+01] ), NASA( [ 1000.00, 5000.00], [ 4.459834000E+00, 2.400638100E-04, -1.925986300E-08, 3.645693700E-12, -2.538093400E-16, 3.865404900E+04, 8.324960490E+00] ) ) # note = "J 9/63" ) species(name = "S", atoms = " S:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.317256160E+00, 4.780183420E-03, -1.420826740E-05, 1.565695380E-08, -5.965882990E-12, 3.250689760E+04, 6.062424340E+00] ), NASA( [ 1000.00, 6000.00], [ 2.879364980E+00, -5.110503880E-04, 2.538067190E-07, -4.454554580E-11, 2.667173620E-15, 3.250137910E+04, 3.981406470E+00] ) ) # note = "J 9/82" ) species(name = "S+", atoms = " S:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.534781450E+05, 5.436270190E+00] ), NASA( [ 1000.00, 6000.00], [ 2.465243590E+00, 1.142572120E-04, -1.195726990E-07, 4.387713590E-11, -3.805236390E-15, 1.534854220E+05, 5.608213710E+00] ) ) # note = "J 9/82" ) species(name = "S-", atoms = " S:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.513530700E+00, 1.935168570E-03, -5.384383570E-06, 5.403133560E-09, -1.890536840E-12, 7.643030060E+03, 5.132820020E+00] ), NASA( [ 1000.00, 6000.00], [ 2.729480600E+00, -2.248949280E-04, 8.586488540E-08, -1.442561690E-11, 8.874911960E-16, 7.659800690E+03, 4.399027260E+00] ) ) # note = "J 9/82" ) species(name = "SCL", atoms = " S:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.705588000E+00, 5.271862300E-03, -1.137182000E-05, 1.049782700E-08, -3.531840800E-12, 1.756115900E+04, 6.279451230E+00] ), NASA( [ 1000.00, 5000.00], [ 4.594726000E+00, -5.977178600E-05, 4.522649500E-08, -9.371843500E-12, 8.073572700E-16, 1.745242600E+04, 2.379851530E+00] ) ) # note = "J 6/78" ) species(name = "SCL2", atoms = " S:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.596637100E+00, 1.432719300E-02, -2.519919700E-05, 2.057288200E-08, -6.397690800E-12, -3.637583700E+03, 1.006055570E+01] ), NASA( [ 1000.00, 5000.00], [ 6.627146200E+00, 4.274701900E-04, -1.881688100E-07, 3.576115500E-11, -2.384940000E-15, -4.200021900E+03, -4.232370250E+00] ) ) # note = "J 6/78" ) species(name = "SCL2+", atoms = " S:1 Cl:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.595872700E+00, 1.429166500E-02, -2.508499800E-05, 2.044689300E-08, -6.350466900E-12, 1.069028300E+05, 1.075583370E+01] ), NASA( [ 1000.00, 5000.00], [ 6.580257000E+00, 5.217640000E-04, -2.507697900E-07, 5.098812400E-11, -3.273029200E-15, 1.063548600E+05, -3.294938320E+00] ) ) # note = "J 6/78" ) species(name = "SD", atoms = " S:1 D:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.728559700E+00, -5.093988100E-03, 9.913460500E-06, -7.329081300E-09, 1.946160800E-12, 1.539957900E+04, -1.568479520E+00] ), NASA( [ 1000.00, 5000.00], [ 3.347198800E+00, 1.212964600E-03, -4.773013800E-07, 8.832366900E-11, -6.074059100E-15, 1.562714700E+04, 4.877641980E+00] ) ) # note = "J 6/77" ) species(name = "SF", atoms = " S:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.420817500E+00, 4.551119800E-03, -7.937256400E-06, 6.500471100E-09, -2.028966500E-12, 3.960950300E+02, 6.547005830E+00] ), NASA( [ 1000.00, 5000.00], [ 4.369088500E+00, 1.920442400E-04, -6.663036500E-08, 1.244859000E-11, -7.653749400E-16, 2.201852600E+02, 2.075968630E+00] ) ) # note = "J 6/76" ) species(name = "SF+", atoms = " S:1 F:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.666664800E+00, 5.697549100E-03, -7.605742200E-06, 4.911945500E-09, -1.241451400E-12, 1.183103300E+05, 1.051501930E+01] ), NASA( [ 1000.00, 5000.00], [ 4.280724800E+00, 1.036743300E-04, 5.544166500E-08, -1.143329500E-11, 5.584690600E-16, 1.179219200E+05, 2.459394670E+00] ) ) # note = "J 6/76" ) species(name = "SF-", atoms = " S:1 F:1 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.759793600E+00, 6.865822000E-03, -1.131451900E-05, 8.874637000E-09, -2.678427000E-12, -2.348630600E+04, 8.993506810E+00] ), NASA( [ 1000.00, 5000.00], [ 4.127067200E+00, 6.256934000E-04, -3.124698600E-07, 7.172247600E-11, -4.706140400E-15, -2.373488100E+04, 2.553694110E+00] ) ) # note = "J12/76" ) species(name = "SF2", atoms = " S:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.410305600E+00, 1.559012100E-02, -2.317801800E-05, 1.658349700E-08, -4.646576100E-12, -3.691637300E+04, 1.350668030E+01] ), NASA( [ 1000.00, 5000.00], [ 6.119419600E+00, 1.005142400E-03, -4.465331300E-07, 8.762401000E-11, -6.323651200E-15, -3.771424100E+04, -4.557174110E+00] ) ) # note = "J 6/76" ) species(name = "SF2+", atoms = " S:1 F:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.427149000E+00, 1.551754600E-02, -2.306025900E-05, 1.649961200E-08, -4.624641800E-12, 8.323955700E+04, 1.412788660E+01] ), NASA( [ 1000.00, 5000.00], [ 6.120900000E+00, 9.998481700E-04, -4.399293200E-07, 8.436813700E-11, -5.779537800E-15, 8.244458500E+04, -3.863075420E+00] ) ) # note = "J12/76" ) species(name = "SF2-", atoms = " S:1 F:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.290050300E+00, 1.553861200E-02, -2.723660400E-05, 2.218279900E-08, -6.886215600E-12, -4.939192500E+04, 9.817477630E+00] ), NASA( [ 1000.00, 5000.00], [ 6.584712300E+00, 4.788609000E-04, -2.140544000E-07, 4.217570300E-11, -3.052391000E-15, -5.000570500E+04, -5.733347870E+00] ) ) # note = "J12/76" ) species(name = "SF3", atoms = " S:1 F:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.877772800E+00, 3.123403500E-02, -5.157137900E-05, 4.024732200E-08, -1.211059400E-11, -6.206793900E+04, 1.636943610E+01] ), NASA( [ 1000.00, 5000.00], [ 8.807689700E+00, 1.367167600E-03, -6.080833300E-07, 1.188302200E-10, -8.447091500E-15, -6.344049400E+04, -1.676488690E+01] ) ) # note = "J 6/77" ) species(name = "SF3+", atoms = " S:1 F:3 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.001850800E+00, 2.975515500E-02, -4.335679400E-05, 3.055496400E-08, -8.463347900E-12, 4.604418400E+04, 1.944450080E+01] ), NASA( [ 1000.00, 5000.00], [ 8.138501600E+00, 2.128891400E-03, -9.483682200E-07, 1.860743600E-10, -1.327172900E-14, 4.448673000E+04, -1.542124220E+01] ) ) # note = "J12/76" ) species(name = "SF3-", atoms = " S:1 F:3 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.878876100E+00, 3.122617400E-02, -5.155174900E-05, 4.022678800E-08, -1.210293200E-11, -9.494705500E+04, 1.564598430E+01] ), NASA( [ 1000.00, 5000.00], [ 8.809582600E+00, 1.364367800E-03, -6.075732100E-07, 1.194053200E-10, -8.625933200E-15, -9.632026500E+04, -1.749437070E+01] ) ) # note = "J12/76" ) species(name = "SF4", atoms = " S:1 F:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.281964500E+00, 4.356989900E-02, -7.012516800E-05, 5.367724400E-08, -1.591435600E-11, -9.358670100E+04, 1.841987030E+01] ), NASA( [ 1000.00, 5000.00], [ 1.112438300E+01, 2.145799400E-03, -9.545244400E-07, 1.874611100E-10, -1.353595300E-14, -9.558166900E+04, -2.887564770E+01] ) ) # note = "J 6/76" ) species(name = "SF4+", atoms = " S:1 F:4 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.961581300E+00, 4.213209400E-02, -6.915556500E-05, 5.372066600E-08, -1.610589500E-11, 4.809474000E+04, 1.637990080E+01] ), NASA( [ 1000.00, 5000.00], [ 1.135194100E+01, 1.887566200E-03, -8.390406200E-07, 1.641493800E-10, -1.173519500E-14, 4.622476700E+04, -2.857150820E+01] ) ) # note = "J12/76" ) species(name = "SF4-", atoms = " S:1 F:4 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.079376200E+00, 3.783950300E-02, -6.690465700E-05, 5.482243400E-08, -1.709284400E-11, -1.091464200E+05, 5.641787750E+00] ), NASA( [ 1000.00, 5000.00], [ 1.200332600E+01, 1.200771300E-03, -5.739827400E-07, 1.229938500E-10, -9.295273400E-15, -1.106030800E+05, -3.165926510E+01] ) ) # note = "J12/76" ) species(name = "SF5", atoms = " S:1 F:5 ", thermo = ( NASA( [ 300.00, 1000.00], [ -1.714766200E+00, 6.871600800E-02, -1.140793300E-04, 8.933637900E-08, -2.694042900E-11, -1.109617800E+05, 3.027246780E+01] ), NASA( [ 1000.00, 5000.00], [ 1.361056300E+01, 2.652313000E-03, -1.169146300E-06, 2.424513200E-10, -1.831471800E-14, -1.140029300E+05, -4.301510120E+01] ) ) # note = "J12/77" ) species(name = "SF5+", atoms = " S:1 F:5 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ -1.716486100E+00, 6.894004600E-02, -1.147105100E-04, 8.997786500E-08, -2.716632600E-11, 1.906114900E+04, 2.944451330E+01] ), NASA( [ 1000.00, 5000.00], [ 1.368421600E+01, 2.517702300E-03, -1.085439300E-06, 2.253374500E-10, -1.722391700E-14, 1.600490800E+04, -4.419972370E+01] ) ) # note = "J12/77" ) species(name = "SF5-", atoms = " S:1 F:5 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.847764900E+00, 5.837636900E-02, -1.013131400E-04, 8.195697700E-08, -2.531950500E-11, -1.549932600E+05, 1.385388440E+01] ), NASA( [ 1000.00, 5000.00], [ 1.432191000E+01, 1.931303300E-03, -8.621993600E-07, 1.697239500E-10, -1.227486000E-14, -1.573431500E+05, -4.515925360E+01] ) ) # note = "J12/77" ) species(name = "SF6", atoms = " S:1 F:6 ", thermo = ( NASA( [ 300.00, 1000.00], [ -3.838808800E+00, 8.322172100E-02, -1.318168900E-04, 9.963615400E-08, -2.924876700E-11, -1.483647700E+05, 3.716114260E+01] ), NASA( [ 1000.00, 5000.00], [ 1.516295000E+01, 4.384231800E-03, -1.948633700E-06, 3.824719600E-10, -2.760505000E-14, -1.522680100E+05, -5.441571940E+01] ) ) # note = "J 6/76" ) species(name = "SF6-", atoms = " S:1 F:6 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ -3.260927200E+00, 8.269536900E-02, -1.329981200E-04, 1.017376800E-07, -3.014638300E-11, -1.631086000E+05, 3.542334420E+01] ), NASA( [ 1000.00, 5000.00], [ 1.542864600E+01, 4.084531700E-03, -1.816490300E-06, 3.566732800E-10, -2.575000000E-14, -1.668988400E+05, -5.439612180E+01] ) ) # note = "J 6/77" ) species(name = "SH", atoms = " S:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.442032200E+00, -2.435919700E-03, 1.906457600E-06, 9.916663000E-10, -9.574076200E-13, 1.552325800E+04, -1.144490350E+00] ), NASA( [ 1000.00, 5000.00], [ 3.001453700E+00, 1.339495700E-03, -4.678966300E-07, 7.880401500E-11, -5.028045300E-15, 1.590532000E+04, 6.284627150E+00] ) ) # note = "J 6/77" ) species(name = "SN", atoms = " S:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.942297100E+00, -2.003551500E-03, 7.353464400E-06, -7.516856000E-09, 2.559109800E-12, 3.056394900E+04, 4.580308050E+00] ), NASA( [ 1000.00, 5000.00], [ 3.849397600E+00, 7.275678800E-04, -2.937020300E-07, 5.501362800E-11, -3.812355100E-15, 3.045996200E+04, 4.431273550E+00] ) ) # note = "J 6/61" ) species(name = "SO", atoms = " S:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.149023300E+00, 1.183934700E-03, 2.574068600E-06, -4.444341900E-09, 1.873515900E-12, -4.040757100E+02, 8.319879150E+00] ), NASA( [ 1000.00, 5000.00], [ 4.014287300E+00, 2.702281700E-04, 8.289666700E-08, -3.432374100E-11, 3.112144400E-15, -7.105195600E+02, 3.499735050E+00] ) ) # note = "J 6/77" ) species(name = "SOF2", atoms = " S:1 O:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.474906600E+00, 2.095242600E-02, -2.416427700E-05, 1.212037700E-08, -1.933873100E-12, -6.689760200E+04, 1.419734040E+01] ), NASA( [ 1000.00, 5000.00], [ 8.087421200E+00, 2.109571600E-03, -9.086691200E-07, 1.734483400E-10, -1.221415800E-14, -6.823815900E+04, -1.385559160E+01] ) ) # note = "J 6/72" ) species(name = "SO2", atoms = " S:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.266533800E+00, 5.323790200E-03, 6.843755200E-07, -5.281004700E-09, 2.559045400E-12, -3.690814800E+04, 9.664651080E+00] ), NASA( [ 1000.00, 5000.00], [ 5.245136400E+00, 1.970420400E-03, -8.037576900E-07, 1.514996900E-10, -1.055800400E-14, -3.755822700E+04, -1.074048920E+00] ) ) # note = "J 6/61" ) species(name = "SO2CLF", atoms = " S:1 O:2 Cl:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.981752800E+00, 2.644916700E-02, -2.920018200E-05, 1.395761100E-08, -2.030448700E-12, -6.876149700E+04, 1.273168120E+01] ), NASA( [ 1000.00, 5000.00], [ 1.011828600E+01, 3.148899400E-03, -1.347151400E-06, 2.558031000E-10, -1.793825600E-14, -7.050929100E+04, -2.312785080E+01] ) ) # note = "J 6/71" ) species(name = "SO2CL2", atoms = " S:1 O:2 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.385167700E+00, 2.321215700E-02, -2.653211200E-05, 1.349992300E-08, -2.281928100E-12, -4.480297400E+04, 6.578678800E+00] ), NASA( [ 1000.00, 5000.00], [ 1.055093700E+01, 2.673430100E-03, -1.142823000E-06, 2.168620000E-10, -1.519915100E-14, -4.629505600E+04, -2.430785700E+01] ) ) # note = "J 6/71" ) species(name = "SO2F2", atoms = " S:1 O:2 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.732468000E+00, 2.850176000E-02, -2.945379800E-05, 1.240130000E-08, -1.171553300E-12, -9.278139300E+04, 1.694841000E+01] ), NASA( [ 1000.00, 5000.00], [ 9.607888500E+00, 3.711102600E-03, -1.589911400E-06, 3.023246400E-10, -2.122857700E-14, -9.475476800E+04, -2.284894200E+01] ) ) # note = "J 6/71" ) species(name = "SO3", atoms = " S:1 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.578038500E+00, 1.455633500E-02, -9.176417300E-06, -7.920302200E-10, 1.970947300E-12, -4.893175300E+04, 1.226513840E+01] ), NASA( [ 1000.00, 5000.00], [ 7.075737600E+00, 3.176338700E-03, -1.353576000E-06, 2.563091200E-10, -1.793604400E-14, -5.021137600E+04, -1.118751760E+01] ) ) # note = "J 9/65" ) species(name = "S2", atoms = " S:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.858575400E+00, 5.175835500E-03, -6.549343400E-06, 3.399864300E-09, -4.015676600E-13, 1.441240200E+04, 9.891278490E+00] ), NASA( [ 1000.00, 5000.00], [ 3.988606900E+00, 5.577505100E-04, -5.018927800E-08, -1.547031900E-11, 2.666177100E-15, 1.419801500E+04, 4.491191590E+00] ) ) # note = "J 9/77" ) species(name = "S2CL", atoms = " S:2 Cl:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.974269320E+00, 1.907829040E-02, -3.762654130E-05, 3.403749790E-08, -1.156846640E-11, 7.989229800E+03, 1.384243540E+01] ), NASA( [ 1000.00, 6000.00], [ 6.623204180E+00, 4.182846340E-04, -1.756591200E-07, 3.097183840E-11, -1.751559220E-15, 7.374959000E+03, -2.985118920E+00] ) ) # note = "J 6/78" ) species(name = "S2CL2", atoms = " S:2 Cl:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.479057080E+00, 3.253700280E-02, -6.639046200E-05, 6.211248450E-08, -2.171123250E-11, -4.022255670E+03, 1.227918240E+01] ), NASA( [ 1000.00, 6000.00], [ 9.468410200E+00, 1.121863520E-03, -6.927842800E-07, 1.386544630E-10, -9.293978390E-15, -5.050195240E+03, -1.529504410E+01] ) ) # note = "L 4/93" ) species(name = "S2F2,thiothiony", atoms = " S:2 F:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.493723930E+00, 3.425756350E-02, -5.946568310E-05, 4.876903440E-08, -1.537616840E-11, -4.981034900E+04, 1.873751380E+01] ), NASA( [ 1000.00, 6000.00], [ 8.940186710E+00, 1.104501870E-03, -4.362276570E-07, 7.462984780E-11, -4.620439510E-15, -5.125747460E+04, -1.667391370E+01] ) ) # note = "J 6/76" ) species(name = "S2O", atoms = " S:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.841425700E+00, 1.218841000E-02, -1.600024100E-05, 1.030928900E-08, -2.644912000E-12, -8.060301500E+03, 1.291807360E+01] ), NASA( [ 1000.00, 5000.00], [ 5.903752400E+00, 1.236997500E-03, -5.457079000E-07, 1.065984200E-10, -7.668824300E-15, -8.775209000E+03, -2.269998360E+00] ) ) # note = "J 9/65" ) species(name = "S8", atoms = " S:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.197004960E+00, 9.155035970E-02, -1.912636110E-04, 1.801771960E-07, -6.303936950E-11, 8.120716910E+03, 7.580439170E+00] ), NASA( [ 1000.00, 6000.00], [ 2.072495210E+01, 1.346861110E-03, -5.372259460E-07, 9.281228530E-11, -5.819513400E-15, 5.533443240E+03, -6.748052870E+01] ) ) # note = "J 9/77" ) species(name = "Si", atoms = " Si:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.764761500E+00, -7.120709850E-03, 1.573183010E-05, -1.538249690E-08, 5.531949330E-12, 5.320507820E+04, 3.021687720E-01] ), NASA( [ 1000.00, 6000.00], [ 2.580611570E+00, -2.060446540E-04, 1.930516770E-07, -4.564851070E-11, 3.364117160E-15, 5.338299330E+04, 5.606574230E+00] ) ) # note = "J 3/83" ) species(name = "Si+", atoms = " Si:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 4.244190730E+00, -7.511608630E-03, 1.333683330E-05, -1.094061490E-08, 3.413572230E-12, 1.484087920E+05, -2.789173340E+00] ), NASA( [ 1000.00, 6000.00], [ 2.647945790E+00, -1.601090080E-04, 6.540241550E-08, -1.162246550E-11, 7.559612720E-16, 1.487034130E+05, 4.731718480E+00] ) ) # note = "J 3/83" ) species(name = "SiBr", atoms = " Si:1 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.971978800E+00, 4.774527900E-03, -1.113068400E-05, 1.068120200E-08, -3.672638300E-12, 2.698630400E+04, 6.111957190E+00] ), NASA( [ 1000.00, 5000.00], [ 4.668169200E+00, -1.016941300E-04, 7.083899200E-08, -1.433485600E-11, 1.407673900E-15, 2.693345900E+04, 3.224972590E+00] ) ) # note = "J12/76" ) species(name = "SiBr2", atoms = " Si:1 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.671972900E+00, 1.029289700E-02, -1.871401900E-05, 1.563790000E-08, -4.945652100E-12, -8.003916300E+03, 7.726655190E+00] ), NASA( [ 1000.00, 5000.00], [ 6.722477000E+00, 3.805792900E-04, -2.013858900E-07, 4.435117200E-11, -2.923965100E-15, -8.359298000E+03, -1.819557110E+00] ) ) # note = "J12/77" ) species(name = "SiBr3", atoms = " Si:1 Br:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.772960200E+00, 1.837178700E-02, -3.301933200E-05, 2.736786400E-08, -8.603878700E-12, -2.655455400E+04, 5.186270290E+00] ), NASA( [ 1000.00, 5000.00], [ 9.585496800E+00, 4.792384600E-04, -2.146059500E-07, 4.233826900E-11, -3.067079400E-15, -2.724450600E+04, -1.270130800E+01] ) ) # note = "J12/77" ) species(name = "SiBr4", atoms = " Si:1 Br:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.610893700E+00, 2.323938400E-02, -4.154574600E-05, 3.430524100E-08, -1.075507600E-11, -5.296820900E+04, -3.099039310E+00] ), NASA( [ 1000.00, 5000.00], [ 1.245608700E+01, 6.284438400E-04, -2.812895100E-07, 5.547441400E-11, -4.017595900E-15, -5.385052100E+04, -2.586090900E+01] ) ) # note = "J12/76" ) species(name = "SiC", atoms = " Si:1 C:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ -2.192469600E+00, 4.134270000E-02, -7.827411300E-05, 6.069412000E-08, -1.672920700E-11, 8.595314300E+04, 2.876924300E+01] ), NASA( [ 1000.00, 5000.00], [ 5.579903300E+00, -1.340934400E-03, 7.548304700E-07, -1.654377800E-10, 1.266334500E-14, 8.504612000E+04, -5.650196310E+00] ) ) # note = "J 3/67" ) species(name = "SiC2", atoms = " Si:1 C:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.880633300E+00, 6.794776700E-03, -5.027796200E-06, 1.057323200E-09, 2.551314200E-13, 7.255824900E+04, 4.550567190E+00] ), NASA( [ 1000.00, 5000.00], [ 5.701152300E+00, 2.122069000E-03, -1.145776900E-06, 3.103876800E-10, -2.776389700E-14, 7.202339100E+04, -4.973732110E+00] ) ) # note = "J 3/67" ) species(name = "SiC4H12", atoms = " Si:1 C:4 H:12 ", thermo = ( NASA( [ 298.15, 1000.00], [ 4.946186260E+00, 4.114297430E-02, -2.932337420E-07, -2.290036940E-08, 1.095667730E-11, -3.773104920E+04, 3.186310990E+00] ), NASA( [ 1000.00, 5000.00], [ 1.156370180E+01, 3.281120640E-02, -1.263708910E-05, 2.268685110E-09, -1.542694770E-13, -4.013813660E+04, -3.363411950E+01] ) ) # note = "J12/60" ) species(name = "SiCL", atoms = " Si:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.739653300E+00, 3.116471600E-03, -5.247438300E-06, 4.201254300E-09, -1.288722200E-12, 2.263826100E+04, 6.567349510E+00] ), NASA( [ 1000.00, 5000.00], [ 4.398289400E+00, 1.674078700E-04, -5.360624700E-08, 9.573154900E-12, -4.453089200E-16, 2.251314500E+04, 3.444958210E+00] ) ) # note = "J12/76" ) species(name = "SiCL2", atoms = " Si:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.710996100E+00, 1.396635200E-02, -2.471105400E-05, 2.025921900E-08, -6.319370300E-12, -2.182594900E+04, 9.461581800E+00] ), NASA( [ 1000.00, 5000.00], [ 6.630788900E+00, 4.385327900E-04, -1.981135100E-07, 3.700587300E-11, -2.071439400E-15, -2.236071900E+04, -4.274870200E+00] ) ) # note = "J12/77" ) species(name = "SiCL3", atoms = " Si:1 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.262702700E+00, 2.405086900E-02, -4.218488200E-05, 3.437393000E-08, -1.067446200E-11, -4.898120500E+04, 8.405238550E+00] ), NASA( [ 1000.00, 5000.00], [ 9.359463100E+00, 7.383483800E-04, -3.299404900E-07, 6.498997300E-11, -4.702324100E-15, -4.993006800E+04, -1.564801100E+01] ) ) # note = "J12/77" ) species(name = "SiCL4", atoms = " Si:1 Cl:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.104001000E+00, 2.493311400E-02, -3.670326300E-05, 2.444874800E-08, -6.037015500E-12, -8.235927300E+04, -9.764004980E-01] ), NASA( [ 1000.00, 5000.00], [ 1.208965500E+01, 1.019073500E-03, -4.416786500E-07, 8.448157300E-11, -5.949158000E-15, -8.359025000E+04, -2.992693360E+01] ) ) # note = "J12/70" ) species(name = "SiF", atoms = " Si:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.245353500E+00, 2.970233100E-03, -2.485799000E-06, 5.630483600E-10, 1.441603400E-13, -3.494427200E+03, 7.884434690E+00] ), NASA( [ 1000.00, 5000.00], [ 4.122783500E+00, 4.680489100E-04, -1.867767500E-07, 3.524209300E-11, -2.301504600E-15, -3.725861900E+03, 3.388586690E+00] ) ) # note = "J12/76" ) species(name = "SiF2", atoms = " Si:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.514824000E+00, 1.450415700E-02, -2.059477900E-05, 1.413017600E-08, -3.813232600E-12, -7.194243300E+04, 1.300463480E+01] ), NASA( [ 1000.00, 5000.00], [ 6.056210400E+00, 1.072195200E-03, -4.712975800E-07, 9.017476400E-11, -6.137090500E-15, -7.272708300E+04, -4.359947570E+00] ) ) # note = "J12/77" ) species(name = "SiF3", atoms = " Si:1 F:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.348022000E+00, 2.466503300E-02, -3.510935000E-05, 2.423269000E-08, -6.590941600E-12, -1.320687200E+05, 1.459018300E+01] ), NASA( [ 1000.00, 5000.00], [ 8.348819100E+00, 1.877236900E-03, -8.317712500E-07, 1.629071800E-10, -1.173853300E-14, -1.333998700E+05, -1.483438900E+01] ) ) # note = "J12/77" ) species(name = "SiF4", atoms = " Si:1 F:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.189306800E+00, 3.370200700E-02, -4.672317900E-05, 3.158463800E-08, -8.450611400E-12, -1.960328900E+05, 1.330047100E+01] ), NASA( [ 1000.00, 5000.00], [ 1.047847300E+01, 2.858675600E-03, -1.264631400E-06, 2.474686300E-10, -1.782429600E-14, -1.979055000E+05, -2.750747800E+01] ) ) # note = "J 6/76" ) species(name = "SiH", atoms = " Si:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.336295400E+00, -5.051242200E-03, 1.142309600E-05, -9.389065200E-09, 2.771814900E-12, 4.415071400E+04, 1.882146790E-01] ), NASA( [ 1000.00, 5000.00], [ 3.045319400E+00, 1.558752600E-03, -6.207267700E-07, 1.151827000E-10, -7.628977300E-15, 4.433112600E+04, 6.044655450E+00] ) ) # note = "J12/76" ) species(name = "SiH+", atoms = " Si:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.729258800E+00, -1.788161100E-03, 4.246925700E-06, -2.558013000E-09, 4.063374000E-13, 1.369707100E+05, 1.583873140E+00] ), NASA( [ 1000.00, 5000.00], [ 2.982859500E+00, 1.545522200E-03, -5.903855500E-07, 1.051740000E-10, -6.822023400E-15, 1.370795400E+05, 5.040350140E+00] ) ) # note = "J12/71" ) species(name = "SiHBr3", atoms = " Si:1 H:1 Br:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.337011000E+00, 2.887299000E-02, -4.695412000E-05, 3.752303800E-08, -1.163491900E-11, -3.866383400E+04, 1.032167120E+01] ), NASA( [ 1000.00, 5000.00], [ 1.027483100E+01, 2.866610400E-03, -1.211258100E-06, 2.300491600E-10, -1.623350400E-14, -3.984657600E+04, -1.803406580E+01] ) ) # note = "J12/76" ) species(name = "SiHCL3", atoms = " Si:1 H:1 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.674204200E+00, 3.438038500E-02, -5.495385600E-05, 4.310333200E-08, -1.315701200E-11, -6.160172300E+04, 1.433350950E+01] ), NASA( [ 1000.00, 5000.00], [ 9.933563500E+00, 3.248122000E-03, -1.378717100E-06, 2.626607300E-10, -1.857488600E-14, -6.307084900E+04, -2.047205850E+01] ) ) # note = "J12/76" ) species(name = "SiHF3", atoms = " Si:1 H:1 F:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 9.065481600E-01, 3.326526700E-02, -4.392882500E-05, 2.932836700E-08, -7.864918800E-12, -1.458419600E+05, 1.997326570E+01] ), NASA( [ 1000.00, 5000.00], [ 8.754882800E+00, 4.552775600E-03, -1.947753100E-06, 3.730079400E-10, -2.647397300E-14, -1.476565800E+05, -1.882697730E+01] ) ) # note = "J 6/76" ) species(name = "SiHI3", atoms = " Si:1 H:1 I:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.521122500E+00, 2.484105400E-02, -4.083398400E-05, 3.306839300E-08, -1.037377400E-11, -1.140718900E+04, 7.784669510E+00] ), NASA( [ 1000.00, 5000.00], [ 1.053360400E+01, 2.588800000E-03, -1.092190300E-06, 2.072068700E-10, -1.460985400E-14, -1.239734500E+04, -1.609503420E+01] ) ) # note = "J12/76" ) species(name = "SiH2", atoms = " Si:1 H:2 ", thermo = ( NASA( [ 298.15, 1000.00], [ 5.310785300E+00, -1.446994500E-02, 5.142714600E-05, -5.473347400E-08, 1.928828600E-11, 2.821339400E+04, -2.822418620E+00] ), NASA( [ 1000.00, 5000.00], [ 5.859385500E+00, 1.638256500E-03, -8.439625200E-07, 1.832333000E-10, -1.411436500E-14, 2.716569900E+04, -1.006463100E+01] ) ) # note = "TPIS79" ) species(name = "SiH2Br2", atoms = " Si:1 H:2 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.000742700E+00, 3.028263100E-02, -4.468733600E-05, 3.441143100E-08, -1.054872000E-11, -2.450750700E+04, 1.856673660E+01] ), NASA( [ 1000.00, 5000.00], [ 8.169260100E+00, 5.028560100E-03, -2.109756400E-06, 3.987215500E-10, -2.803583800E-14, -2.584247500E+04, -1.137119140E+01] ) ) # note = "J12/76" ) species(name = "SiH2CL2", atoms = " Si:1 H:2 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.026493800E+00, 3.301358900E-02, -4.796106200E-05, 3.622567600E-08, -1.092044700E-11, -3.996338700E+04, 2.062885730E+01] ), NASA( [ 1000.00, 5000.00], [ 7.912140400E+00, 5.312789100E-03, -2.233672900E-06, 4.227481200E-10, -2.975568400E-14, -4.146850300E+04, -1.288676270E+01] ) ) # note = "J12/76" ) species(name = "SiH2F2", atoms = " Si:1 H:2 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.937599800E-01, 3.007988000E-02, -3.587413600E-05, 2.266855800E-08, -5.918592500E-12, -9.623032700E+04, 2.286075360E+01] ), NASA( [ 1000.00, 5000.00], [ 7.098185700E+00, 6.214649000E-03, -2.627235200E-06, 4.990908500E-10, -3.522164100E-14, -9.791874500E+04, -1.167256940E+01] ) ) # note = "J 6/76" ) species(name = "SiH2I2", atoms = " Si:1 H:2 I:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.656281300E+00, 2.862617600E-02, -4.300370000E-05, 3.370803100E-08, -1.047554700E-11, -6.325261200E+03, 1.727092510E+01] ), NASA( [ 1000.00, 5000.00], [ 8.357309900E+00, 4.816358600E-03, -2.016144500E-06, 3.804369900E-10, -2.672058400E-14, -7.541766700E+03, -1.029735490E+01] ) ) # note = "J12/76" ) species(name = "SiH3", atoms = " Si:1 H:3 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.050680700E+00, 3.310328300E-03, 1.109399700E-05, -1.448349000E-08, 5.188035400E-12, 2.405142400E+04, 7.294820680E+00] ), NASA( [ 1000.00, 5000.00], [ 4.127037600E+00, 6.183886600E-03, -2.612209600E-06, 4.957969500E-10, -3.496052000E-14, 2.340680100E+04, 1.518084230E-01] ) ) # note = "TPIS79" ) species(name = "SiH3Br", atoms = " Si:1 H:3 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.006033500E+00, 2.530787600E-02, -3.039643300E-05, 2.108215000E-08, -6.205539800E-12, -1.060536000E+04, 1.946754460E+01] ), NASA( [ 1000.00, 5000.00], [ 6.135036300E+00, 7.111291400E-03, -2.973507500E-06, 5.606185700E-10, -3.935084700E-14, -1.187990000E+04, -6.178265690E+00] ) ) # note = "J12/76" ) species(name = "SiH3CL", atoms = " Si:1 H:3 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.830798500E-01, 2.616172800E-02, -3.085407300E-05, 2.087839500E-08, -6.015367800E-12, -1.816197900E+04, 2.023653790E+01] ), NASA( [ 1000.00, 5000.00], [ 5.991971800E+00, 7.271893800E-03, -3.044159000E-06, 5.743962000E-10, -4.034092900E-14, -1.951493000E+04, -6.867643670E+00] ) ) # note = "J12/76" ) species(name = "SiH3F", atoms = " Si:1 H:3 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.736972600E-01, 2.337103600E-02, -2.192597300E-05, 1.143866800E-08, -2.621759800E-12, -4.626867600E+04, 2.045412980E+01] ), NASA( [ 1000.00, 5000.00], [ 5.573611900E+00, 7.741007500E-03, -3.250275800E-06, 6.145479200E-10, -4.322377400E-14, -4.768848600E+04, -6.210022920E+00] ) ) # note = "J 6/76" ) species(name = "SiH3I", atoms = " Si:1 H:3 I:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.365932000E+00, 2.459257500E-02, -2.999179500E-05, 2.121514300E-08, -6.348297100E-12, -1.525835500E+03, 1.864039790E+01] ), NASA( [ 1000.00, 5000.00], [ 6.268666300E+00, 6.965230500E-03, -2.910274000E-06, 5.484146700E-10, -3.848008800E-14, -2.737352700E+03, -5.828451560E+00] ) ) # note = "J12/76" ) species(name = "SiH4", atoms = " Si:1 H:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.592263900E+00, 1.284109300E-02, -1.945627800E-06, -4.310637200E-09, 1.987488000E-12, 3.105594200E+03, 1.183360250E+01] ), NASA( [ 1000.00, 5000.00], [ 4.209203800E+00, 9.082262800E-03, -3.790539600E-06, 7.136988800E-10, -5.004628600E-14, 2.134462700E+03, -2.727687040E+00] ) ) # note = "J 6/76" ) species(name = "SiI", atoms = " Si:1 I:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.804471200E+00, 1.220530600E-02, -2.587699700E-05, 2.317096600E-08, -7.579847200E-12, 3.652948800E+04, 1.187530770E+01] ), NASA( [ 1000.00, 5000.00], [ 4.974953200E+00, -4.080192100E-04, 1.919967400E-07, -3.888655300E-11, 3.855242200E-15, 3.626172700E+04, 2.301669200E+00] ) ) # note = "J12/76" ) species(name = "SiI2", atoms = " Si:1 I:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.321551050E+00, 1.442733800E-02, -3.105176470E-05, 2.983192860E-08, -1.057854730E-11, 9.412182020E+03, 1.081785670E+01] ), NASA( [ 1000.00, 6000.00], [ 6.743118550E+00, 3.619831560E-04, -1.952786440E-07, 4.358232010E-11, -2.899867920E-15, 9.069753640E+03, 1.290972130E-02] ) ) # note = "J12/77" ) species(name = "SiN", atoms = " Si:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.105195500E+00, 1.485244900E-03, 1.856106000E-06, -3.773488300E-09, 1.683533100E-12, 4.378570900E+04, 7.888560520E+00] ), NASA( [ 1000.00, 5000.00], [ 3.985862100E+00, -8.792705600E-06, 5.426953900E-07, -1.795101700E-10, 1.633706900E-14, 4.352480900E+04, 3.174680020E+00] ) ) # note = "J 3/67" ) species(name = "SiO", atoms = " Si:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.252827600E+00, 4.182312600E-04, 3.780620200E-06, -5.102448300E-09, 1.947131700E-12, -1.309034000E+04, 6.661743290E+00] ), NASA( [ 1000.00, 5000.00], [ 3.747883500E+00, 8.199194300E-04, -3.252539600E-07, 5.732496200E-11, -3.510894400E-15, -1.331743000E+04, 3.661003390E+00] ) ) # note = "J 9/67" ) species(name = "SiO2", atoms = " Si:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.262805800E+00, 8.501658400E-03, -5.738814400E-06, 1.289657300E-11, 9.754497600E-13, -3.803597100E+04, 6.668075290E+00] ), NASA( [ 1000.00, 5000.00], [ 5.862039500E+00, 1.771978400E-03, -7.519419400E-07, 1.418058400E-10, -9.885641700E-15, -3.876781600E+04, -6.847187110E+00] ) ) # note = "J 9/67" ) species(name = "SiS", atoms = " Si:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.843069300E+00, 5.115028100E-03, -6.331607300E-06, 3.438732600E-09, -6.262338500E-13, 1.171893100E+04, 9.446191920E+00] ), NASA( [ 1000.00, 5000.00], [ 4.173577200E+00, 3.928259500E-04, -1.500517200E-07, 2.324255700E-11, -6.056886700E-16, 1.141775300E+04, 2.868882320E+00] ) ) # note = "J12/71" ) species(name = "Si2", atoms = " Si:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.815539300E+00, -1.909654200E-04, 5.923341600E-06, -5.764960300E-09, 1.477500400E-12, 6.978465500E+04, 5.740718590E+00] ), NASA( [ 1000.00, 5000.00], [ 5.047413900E+00, 5.399003400E-04, -4.307837600E-07, 1.135520600E-10, -9.626287100E-15, 6.913318500E+04, -1.910294810E+00] ) ) # note = "J 3/67" ) species(name = "Si2C", atoms = " Si:2 C:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.043893800E+00, 7.345695700E-03, -6.641254900E-06, 2.488504700E-09, -1.819655500E-13, 6.293541700E+04, 4.184412090E+00] ), NASA( [ 1000.00, 5000.00], [ 6.251098800E+00, 1.322417600E-03, -7.280521400E-07, 2.326942400E-10, -2.328514800E-14, 6.230099900E+04, -7.283478510E+00] ) ) # note = "J 3/67" ) species(name = "Si2N", atoms = " Si:2 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.668673500E+00, 1.130184000E-02, -1.363711900E-05, 7.168805000E-09, -1.237831000E-12, 4.631808300E+04, 7.122709640E+00] ), NASA( [ 1000.00, 5000.00], [ 6.670991200E+00, 9.191788200E-04, -3.951713000E-07, 7.439714500E-11, -5.028469100E-15, 4.562015400E+04, -7.798277660E+00] ) ) # note = "J 3/67" ) species(name = "Si3", atoms = " Si:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.597912900E+00, 1.071527400E-02, -1.610042200E-05, 1.096920700E-08, -2.783287500E-12, 7.476632400E+04, 3.455330090E+00] ), NASA( [ 1000.00, 5000.00], [ 7.421336000E+00, -1.170994800E-04, 8.982077500E-08, 7.193596400E-12, -2.567083700E-15, 7.414669900E+04, -1.035211100E+01] ) ) # note = "J 3/67" ) species(name = "Sr", atoms = " Sr:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.897917880E+04, 5.557820920E+00] ), NASA( [ 1000.00, 6000.00], [ 2.052399820E+00, 1.195164490E-03, -1.074533950E-06, 3.575309760E-10, -3.056132800E-14, 1.910410430E+04, 7.880299280E+00] ) ) # note = "L 4/93" ) species(name = "SrBr", atoms = " Sr:1 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.097007100E+00, 1.932106000E-03, -3.506889200E-06, 2.996619400E-09, -9.633169600E-13, -1.200064400E+04, 7.934384990E+00] ), NASA( [ 1000.00, 5000.00], [ 4.343615800E+00, 3.989594300E-04, -2.597612600E-07, 7.932074700E-11, -6.608383000E-15, -1.202507300E+04, 6.873710790E+00] ) ) # note = "J12/74" ) species(name = "SrCL", atoms = " Sr:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.903618500E+00, 2.463442800E-03, -3.877696500E-06, 2.830337500E-09, -7.730412000E-13, -1.613974000E+04, 7.516646830E+00] ), NASA( [ 1000.00, 5000.00], [ 4.334441800E+00, 3.895211200E-04, -2.446131200E-07, 7.328436500E-11, -5.973332500E-15, -1.620878100E+04, 5.525255930E+00] ) ) # note = "J12/72" ) species(name = "SrCL2", atoms = " Sr:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.890714100E+00, 4.494278900E-03, -7.298940400E-06, 5.358813500E-09, -1.473063100E-12, -5.881640400E+04, 3.425250710E+00] ), NASA( [ 1000.00, 5000.00], [ 6.896436200E+00, 1.178871800E-04, -5.185408000E-08, 1.004883100E-11, -7.158434800E-16, -5.900690400E+04, -1.354348390E+00] ) ) # note = "J12/72" ) species(name = "SrF", atoms = " Sr:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.271394700E+00, 4.621335400E-03, -6.900775000E-06, 4.723358200E-09, -1.204680700E-12, -3.655563000E+04, 9.107020690E+00] ), NASA( [ 1000.00, 5000.00], [ 4.245716400E+00, 4.663358700E-04, -2.692589600E-07, 7.356008000E-11, -5.721376000E-15, -3.674029900E+04, 4.466078690E+00] ) ) # note = "J12/72" ) species(name = "SrF+", atoms = " Sr:1 F:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.109379100E+00, 5.027003500E-03, -7.268933800E-06, 4.794850100E-09, -1.168384700E-12, 2.260720200E+04, 9.074110380E+00] ), NASA( [ 1000.00, 5000.00], [ 5.613551800E+00, -2.181091700E-03, 1.221524800E-06, -1.633297100E-10, 3.258450900E-15, 2.188214000E+04, -3.901420320E+00] ) ) # note = "J12/72" ) species(name = "SrF2", atoms = " Sr:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.813551600E+00, 8.382160200E-03, -1.299953100E-05, 9.135439200E-09, -2.398987700E-12, -9.385054300E+04, 5.664080210E+00] ), NASA( [ 1000.00, 5000.00], [ 6.754789100E+00, 2.776196400E-04, -1.215887800E-07, 2.347878000E-11, -1.667519200E-15, -9.423363200E+04, -3.641953890E+00] ) ) # note = "J12/72" ) species(name = "SrI2", atoms = " Sr:1 I:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.045040700E+00, 1.884169900E-03, -3.117514900E-06, 2.329939100E-09, -6.523213300E-13, -3.522301300E+04, 2.578217830E-01] ), NASA( [ 1000.00, 5000.00], [ 7.460367800E+00, 4.540347600E-05, -2.009327400E-08, 3.915550600E-12, -2.803098000E-16, -3.530033300E+04, -1.708769270E+00] ) ) # note = "J 6/74" ) species(name = "SrO", atoms = " Sr:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.732999700E+00, 6.739941800E-03, -1.080048500E-05, 8.176793700E-09, -2.361987100E-12, -2.644357400E+03, 1.050129000E+01] ), NASA( [ 1000.00, 5000.00], [ 9.640302400E+00, -1.128515000E-02, 7.884232200E-06, -1.903587700E-09, 1.514654700E-13, -4.749948700E+03, -2.579817000E+01] ) ) # note = "J 6/74" ) species(name = "SrOH", atoms = " Sr:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.527649400E+00, 1.736485400E-02, -3.173572300E-05, 2.690964600E-08, -8.527009900E-12, -2.601267800E+04, 1.126032660E+01] ), NASA( [ 1000.00, 5000.00], [ 5.357084000E+00, 1.735073500E-03, -6.833964700E-07, 1.410706800E-10, -1.041503900E-14, -2.638917300E+04, -1.387387540E+00] ) ) # note = "J12/75" ) species(name = "SrOH+", atoms = " Sr:1 O:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.610180700E+00, 1.706767700E-02, -3.127555600E-05, 2.657085400E-08, -8.430139500E-12, 3.727522900E+04, 1.020408670E+01] ), NASA( [ 1000.00, 5000.00], [ 5.495198100E+00, 1.421406600E-03, -4.324501900E-07, 6.234242900E-11, -3.479748400E-15, 3.687410700E+04, -2.770683580E+00] ) ) # note = "J 6/76" ) species(name = "SrO2H2", atoms = " Sr:1 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.365885000E+00, 3.370994000E-02, -6.202817100E-05, 5.284326900E-08, -1.679604600E-11, -7.370936800E+04, 9.785596880E+00] ), NASA( [ 1000.00, 5000.00], [ 9.023267400E+00, 2.804910200E-03, -8.479100700E-07, 1.213249300E-10, -6.715418300E-15, -7.448503500E+04, -1.560266800E+01] ) ) # note = "J12/75" ) species(name = "SrS", atoms = " Sr:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.486331800E+00, 4.384131100E-03, -7.506755300E-06, 5.819281800E-09, -1.635320400E-12, 1.183485400E+04, 8.352630690E+00] ), NASA( [ 1000.00, 5000.00], [ 8.983470000E+00, -1.099569100E-02, 8.658841700E-06, -2.295548200E-09, 1.965968300E-13, 1.030141900E+04, -2.007626680E+01] ) ) # note = "J 9/77" ) species(name = "Ta", atoms = " Ta:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.838163100E+00, -2.787856300E-03, 6.897333400E-06, -4.557175100E-09, 9.412526800E-13, 9.327879300E+04, 6.668936790E+00] ), NASA( [ 1000.00, 5000.00], [ 1.510909400E+00, 2.702950100E-03, -1.070559400E-06, 2.023885300E-10, -1.397017300E-14, 9.351776200E+04, 1.298270600E+01] ) ) # note = "J12/72" ) species(name = "TaO", atoms = " Ta:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.934010800E+00, 3.059203800E-03, -1.939636400E-06, 1.628883000E-10, 3.015253500E-13, 2.215447200E+04, 1.145464600E+01] ), NASA( [ 1000.00, 5000.00], [ 3.499660300E+00, 1.511253500E-03, -6.538457800E-07, 1.778431400E-10, -1.691940500E-14, 2.199415100E+04, 8.526958990E+00] ) ) # note = "J12/73" ) species(name = "TaO2", atoms = " Ta:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.180382600E+00, 9.470280500E-03, -8.734686800E-06, 2.452268900E-09, 3.365342100E-13, -2.545176200E+04, 1.313035300E+01] ), NASA( [ 1000.00, 5000.00], [ 5.970166900E+00, 1.179212800E-03, -5.651741300E-07, 1.311378700E-10, -1.056443700E-14, -2.616948100E+04, -1.073998010E+00] ) ) # note = "J12/73" ) species(name = "Ti", atoms = " Ti:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.144481190E+00, -6.804690090E-03, 1.188677650E-05, -9.752234620E-09, 3.090644230E-12, 5.594383520E+04, -3.481878220E-01] ), NASA( [ 1000.00, 6000.00], [ 3.037743140E+00, -1.111171440E-03, 7.585710900E-07, -1.270737730E-10, 6.908192790E-15, 5.612367280E+04, 4.730018880E+00] ) ) # note = "J 6/79" ) species(name = "Ti+", atoms = " Ti:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.795111280E+00, 2.522311760E-03, -5.631214010E-06, 4.163711690E-09, -1.014433220E-12, 1.359959990E+05, 5.619515800E+00] ), NASA( [ 1000.00, 6000.00], [ 3.673716390E+00, -1.485595250E-03, 7.822667350E-07, -1.438532270E-10, 8.952843940E-15, 1.358557350E+05, 1.531501800E+00] ) ) # note = "J 3/84" ) species(name = "Ti-", atoms = " Ti:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.589586330E+00, -4.914444200E-03, 9.064832200E-06, -7.662284030E-09, 2.447241570E-12, 5.438697870E+04, 2.769156480E+00] ), NASA( [ 1000.00, 6000.00], [ 2.585260860E+00, -9.084194790E-05, 3.643232750E-08, -6.316400980E-12, 3.970350410E-16, 5.456434670E+04, 7.457110660E+00] ) ) # note = "J 3/84" ) species(name = "TiCL", atoms = " Ti:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.854308900E+00, 7.959334500E-03, -9.821116200E-06, 5.241998100E-09, -9.798617700E-13, 1.744121600E+04, 1.173022460E+01] ), NASA( [ 1000.00, 5000.00], [ 5.296976000E+00, -1.640169200E-04, 1.571976100E-07, -3.856708900E-11, 3.073966300E-15, 1.685767400E+04, -4.944726710E-01] ) ) # note = "J12/68" ) species(name = "TiCL2", atoms = " Ti:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.972347500E+00, 1.127733500E-02, -2.058191600E-05, 1.718665000E-08, -5.404959000E-12, -3.036628500E+04, 2.559096380E+00] ), NASA( [ 1000.00, 5000.00], [ 7.762485200E+00, -9.387242500E-04, 8.012151800E-07, -1.904803000E-10, 1.496154500E-14, -3.091580500E+04, -1.075260110E+01] ) ) # note = "J12/68" ) species(name = "TiCL3", atoms = " Ti:1 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.880155700E+00, 3.355893300E-02, -5.995746000E-05, 4.886366400E-08, -1.509099200E-11, -6.677602300E+04, 1.395820880E+01] ), NASA( [ 1000.00, 5000.00], [ 1.000810300E+01, 4.193637400E-04, -2.150487300E-07, 4.533701800E-11, -3.454683800E-15, -6.806125000E+04, -1.951065320E+01] ) ) # note = "J12/68" ) species(name = "TiCL4", atoms = " Ti:1 Cl:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.949675700E+00, 2.604965900E-02, -4.652030200E-05, 3.838483400E-08, -1.202791500E-11, -9.467783100E+04, -2.925750940E+00] ), NASA( [ 1000.00, 5000.00], [ 1.238603000E+01, 7.093131600E-04, -3.174607800E-07, 6.260395800E-11, -4.533703800E-15, -9.566907800E+04, -2.847159560E+01] ) ) # note = "J12/67" ) species(name = "TiO", atoms = " Ti:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.119888100E+00, 3.120248700E-03, -1.329707300E-06, -1.333836200E-09, 9.631582800E-13, 5.486871900E+03, 9.442612030E+00] ), NASA( [ 1000.00, 5000.00], [ 4.136017600E+00, 7.392645800E-04, -4.544446400E-07, 1.304365800E-10, -1.152255700E-14, 5.198348300E+03, 4.122370430E+00] ) ) # note = "J12/73" ) species(name = "TiOCL", atoms = " Ti:1 O:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.409385600E+00, 1.517055400E-02, -2.442848300E-05, 1.873452100E-08, -5.568068400E-12, -3.088784600E+04, 8.694426170E+00] ), NASA( [ 1000.00, 5000.00], [ 6.831992400E+00, 7.635938700E-04, -3.395308900E-07, 6.666706900E-11, -4.813294600E-15, -3.158231100E+04, -7.753816130E+00] ) ) # note = "J 9/63" ) species(name = "TiOCL2", atoms = " Ti:1 O:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.440814000E+00, 1.770504900E-02, -2.952524100E-05, 2.324732800E-08, -7.047977700E-12, -6.780685400E+04, 3.450773250E+00] ), NASA( [ 1000.00, 5000.00], [ 9.336865500E+00, 7.596998700E-04, -3.382737800E-07, 6.648386300E-11, -4.803379300E-15, -6.857264500E+04, -1.514417720E+01] ) ) # note = "J 9/63" ) species(name = "TiO2", atoms = " Ti:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.014271700E+00, 1.094210100E-02, -1.287858800E-05, 7.118952900E-09, -1.492751000E-12, -3.802050100E+04, 1.136439750E+01] ), NASA( [ 1000.00, 5000.00], [ 5.845506100E+00, 1.393821300E-03, -6.640306200E-07, 1.385738000E-10, -9.884218400E-15, -3.870059300E+04, -2.795999030E+00] ) ) # note = "J12/73" ) species(name = "V", atoms = " V:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.517369300E+00, -7.929066000E-03, 1.338083900E-05, -8.828290100E-09, 1.894530700E-12, 6.090141700E+04, -1.969717910E+00] ), NASA( [ 1000.00, 5000.00], [ 2.917785200E+00, 4.623689000E-04, -4.973203000E-07, 1.677523300E-10, -1.520255200E-14, 6.106427300E+04, 5.106214690E+00] ) ) # note = "J 6/73" ) species(name = "VCL4", atoms = " V:1 Cl:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.116646200E+00, 2.542321700E-02, -4.549901700E-05, 3.758388600E-08, -1.178034400E-11, -6.612389300E+04, -2.330954750E+00] ), NASA( [ 1000.00, 5000.00], [ 1.271864700E+01, 1.660017600E-05, 1.416149800E-07, -3.476183300E-11, 2.288976300E-15, -6.718799200E+04, -2.884801030E+01] ) ) # note = "L 2/76" ) species(name = "VN", atoms = " V:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.723359000E+00, 4.164298900E-03, -2.191281200E-06, -1.235187200E-09, 1.079183300E-12, 6.192789300E+04, 1.141735790E+01] ), NASA( [ 1000.00, 5000.00], [ 4.185228000E+00, 6.151472000E-04, -3.577633500E-07, 1.074886200E-10, -9.727550500E-15, 6.151154000E+04, 3.776186610E+00] ) ) # note = "J12/73" ) species(name = "VO", atoms = " V:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.943844100E+00, 2.905923400E-03, -9.951657500E-07, -1.408659200E-09, 9.243850800E-13, 1.435274600E+04, 1.018643100E+01] ), NASA( [ 1000.00, 5000.00], [ 3.911470200E+00, 7.754779200E-04, -4.226378600E-07, 1.160883800E-10, -1.007072400E-14, 1.406520400E+04, 5.071854090E+00] ) ) # note = "J12/73" ) species(name = "VO2", atoms = " V:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.193785900E+00, 9.297945700E-03, -8.342246900E-06, 2.104917000E-09, 4.458264500E-13, -2.927549100E+04, 1.128721900E+01] ), NASA( [ 1000.00, 5000.00], [ 5.947014700E+00, 1.168677900E-03, -5.053637900E-07, 9.672361100E-11, -6.824588300E-15, -2.998380200E+04, -2.738025110E+00] ) ) # note = "J12/73" ) species(name = "Xe", atoms = " Xe:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, -8.991413300E-14, 2.521968600E-16, -2.921866620E-19, 1.189492180E-22, -7.453750000E+02, 6.164419930E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500053220E+00, -1.051365440E-07, 6.753268970E-11, -1.709449090E-14, 1.476810490E-18, -7.453941860E+02, 6.164128980E+00] ) ) # note = "L12/91" ) species(name = "Xe+", atoms = " Xe:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500074770E+00, -6.256141860E-07, 1.864309630E-09, -2.355994570E-12, 1.072193680E-15, 1.407610950E+05, 7.550404380E+00] ), NASA( [ 1000.00, 6000.00], [ 2.583505790E+00, -1.534887500E-04, 8.095946390E-08, -1.142892340E-11, 4.820814060E-16, 1.407301170E+05, 7.090570690E+00] ) ) # note = "L10/92" ) species(name = "Zn", atoms = " Zn:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, -4.893831870E-12, 1.380121010E-14, -1.586796780E-17, 6.384987760E-21, 1.493805070E+04, 5.118861010E+00] ), NASA( [ 1000.00, 6000.00], [ 2.512336740E+00, -2.928594300E-05, 2.431302410E-08, -8.390587540E-12, 1.026768920E-15, 1.493414490E+04, 5.053311450E+00] ) ) # note = "L 7/93" ) species(name = "Zn+", atoms = " Zn:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.239489760E+05, 5.812008190E+00] ), NASA( [ 1000.00, 6000.00], [ 2.480695770E+00, 3.360210200E-05, -1.602871690E-08, 1.437950310E-12, 2.928986900E-16, 1.239564040E+05, 5.919216830E+00] ) ) # note = "L 7/93" ) species(name = "Zn-", atoms = " Zn:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.246887330E+04, 5.812020780E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.246887330E+04, 5.812020780E+00] ) ) # note = "J12/78" ) species(name = "Zr", atoms = " Zr:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.236559290E+00, 1.282808200E-02, -2.721384320E-05, 2.332373410E-08, -7.094434910E-12, 7.262456030E+04, 1.195814470E+01] ), NASA( [ 1000.00, 6000.00], [ 2.542942060E+00, 6.228897070E-04, -1.074326360E-07, 2.387445160E-11, -2.176322960E-15, 7.279181660E+04, 7.579514510E+00] ) ) # note = "L 7/93" ) species(name = "ZrN", atoms = " Zr:1 N:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.071887170E+00, 2.643004740E-03, 3.184994280E-07, -3.633505810E-09, 2.026795640E-12, 8.476849470E+04, 9.805889870E+00] ), NASA( [ 1000.00, 6000.00], [ 4.143789220E+00, 4.043072130E-04, -1.446331070E-07, 2.476063740E-11, -1.542802020E-15, 8.446142000E+04, 4.159379060E+00] ) ) # note = "J 6/63" ) species(name = "ZrO", atoms = " Zr:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.122915760E+00, -1.318861530E-02, 6.929224200E-05, -9.587193130E-08, 4.103060850E-11, 9.007492120E+03, 5.569459300E+00] ), NASA( [ 1000.00, 6000.00], [ 7.296960290E+00, -2.901193280E-03, 1.159575740E-06, -1.802990210E-10, 1.017588760E-14, 7.681803770E+03, -1.421925510E+01] ) ) # note = "L 7/93" ) species(name = "ZrO2", atoms = " Zr:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.210377900E+00, 1.162897600E-02, -1.557536000E-05, 1.004424300E-08, -2.543889000E-12, -3.577561200E+04, 1.177386770E+01] ), NASA( [ 1000.00, 5000.00], [ 6.141854500E+00, 9.770369500E-04, -4.333718200E-07, 8.495458900E-11, -6.126664800E-15, -3.644617800E+04, -2.709789120E+00] ) ) # note = "J12/65" ) species(name = "AL(cr)", atoms = " Al:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.010401910E+00, 1.207697430E-02, -2.620835560E-05, 2.642824130E-08, -9.019165130E-12, -6.544541960E+02, -5.004712540E+00] ), NASA( [ 1000.00, 933.61], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "CODA89" ) species(name = "AL(L)", atoms = " Al:1 ", thermo = ( NASA( [ 933.61, 1000.00], [ 3.818625510E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.496518080E+01, -1.752297040E+01] ), NASA( [ 1000.00, 6000.00], [ 3.818625510E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.496518080E+01, -1.752297040E+01] ) ) # note = "CODA89" ) species(name = "ALBr3(s)", atoms = " Al:1 Br:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.844795600E+00, 2.092633400E-02, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.417051000E+04, -1.787690100E+01] ), NASA( [ 1000.00, 370.60], [ 5.844795600E+00, 2.092633400E-02, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.417051000E+04, -1.787690100E+01] ) ) # note = "J 9/79" ) species(name = "ALBr3(L)", atoms = " Al:1 Br:3 ", thermo = ( NASA( [ 370.60, 1000.00], [ 1.502975000E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.478372900E+04, -6.079910100E+01] ), NASA( [ 1000.00, 5000.00], [ 1.502975000E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.478372900E+04, -6.079910100E+01] ) ) # note = "J 9/79" ) species(name = "ALCL3(s)", atoms = " Al:1 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.809337500E+00, 1.057098500E-02, -3.285924800E-09, 0.000000000E+00, 0.000000000E+00, -8.766678300E+04, -3.450172200E+01] ), NASA( [ 1000.00, 465.70], [ 7.809337500E+00, 1.057098500E-02, -3.285924800E-09, 0.000000000E+00, 0.000000000E+00, -8.766678300E+04, -3.450172200E+01] ) ) # note = "J 9/79" ) species(name = "ALCL3(L)", atoms = " Al:1 Cl:3 ", thermo = ( NASA( [ 465.70, 1000.00], [ 1.509667900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -8.566207900E+04, -6.521841900E+01] ), NASA( [ 1000.00, 5000.00], [ 1.509667900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -8.566207900E+04, -6.521841900E+01] ) ) # note = "J 9/79" ) species(name = "ALF3(a)", atoms = " Al:1 F:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ -3.083527200E+00, 7.035031700E-02, -1.224940500E-04, 7.624136200E-08, 1.584368700E-12, -1.829403200E+05, 9.357068300E+00] ), NASA( [ 1000.00, 728.00], [ -3.083527200E+00, 7.035031700E-02, -1.224940500E-04, 7.624136200E-08, 1.584368700E-12, -1.829403200E+05, 9.357068300E+00] ) ) # note = "J 9/79" ) species(name = "ALF3(b)", atoms = " Al:1 F:3 ", thermo = ( NASA( [ 728.00, 1000.00], [ 9.503450500E+00, 5.130250900E-03, -3.711676400E-06, 1.205235700E-09, 0.000000000E+00, -1.846955500E+05, -4.773614700E+01] ), NASA( [ 1000.00, 2523.00], [ 1.041947000E+01, 2.337650100E-03, -8.808307700E-07, 2.855788300E-10, -3.460726300E-14, -1.849220500E+05, -5.237140200E+01] ) ) # note = "J 9/79" ) species(name = "ALF3(L)", atoms = " Al:1 F:3 ", thermo = ( NASA( [ 2523.00, 1000.00], [ 1.509667900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.799868600E+05, -8.004910300E+01] ), NASA( [ 1000.00, 5000.00], [ 1.509667900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.799868600E+05, -8.004910300E+01] ) ) # note = "J 9/79" ) species(name = "ALI3(s)", atoms = " Al:1 I:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 8.524160000E+00, 1.125779900E-02, 1.644300500E-07, 0.000000000E+00, 0.000000000E+00, -3.947666600E+04, -2.834459500E+01] ), NASA( [ 1000.00, 464.14], [ 8.524160000E+00, 1.125779900E-02, 1.644300500E-07, 0.000000000E+00, 0.000000000E+00, -3.947666600E+04, -2.834459500E+01] ) ) # note = "J 9/79" ) species(name = "ALI3(L)", atoms = " Al:1 I:3 ", thermo = ( NASA( [ 464.14, 1000.00], [ 1.459345600E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.916333200E+04, -5.624832200E+01] ), NASA( [ 1000.00, 5000.00], [ 1.459345600E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.916333200E+04, -5.624832200E+01] ) ) # note = "J 9/79" ) species(name = "ALN(s)", atoms = " Al:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ -1.545003100E+00, 2.763224900E-02, -4.353946400E-05, 3.309266600E-08, -9.801052400E-12, -3.868861400E+04, 4.649282200E+00] ), NASA( [ 1000.00, 3000.00], [ 4.084121200E+00, 3.188149600E-03, -1.902976500E-06, 5.252341100E-10, -5.513306600E-14, -3.978184300E+04, -2.219014500E+01] ) ) # note = "J12/79" ) species(name = "AL2O3(a)", atoms = " Al:2 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ -4.913830900E+00, 7.939844300E-02, -1.323791800E-04, 1.044675000E-07, -3.156633000E-11, -2.026262200E+05, 1.547807300E+01] ), NASA( [ 1000.00, 2327.00], [ 1.183366600E+01, 3.770887800E-03, -1.786319100E-07, -5.600880700E-10, 1.407682500E-13, -2.057113100E+05, -6.359983500E+01] ) ) # note = "J12/79" ) species(name = "AL2O3(L)", atoms = " Al:2 O:3 ", thermo = ( NASA( [ 2327.00, 1000.00], [ 2.314824100E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.114052000E+05, -1.386020500E+02] ), NASA( [ 1000.00, 6000.00], [ 2.314824100E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.114052000E+05, -1.386020500E+02] ) ) # note = "J12/79" ) species(name = "AL2SiO5(an)", atoms = " Al:2 Si:1 O:5 ", thermo = ( NASA( [ 300.00, 1000.00], [ -9.286634200E+00, 1.347672000E-01, -2.323700000E-04, 1.876091900E-07, -5.738148300E-11, -3.132766400E+05, 3.271585900E+01] ), NASA( [ 1000.00, 3000.00], [ 1.735174200E+01, 8.743813500E-03, -3.708471800E-06, 1.068828300E-09, -1.176395000E-13, -3.179415100E+05, -9.173874400E+01] ) ) # note = "J 9/67" ) species(name = "AL6Si2O13(s)", atoms = " Al:6 Si:2 O:13 ", thermo = ( NASA( [ 300.00, 1000.00], [ -1.103467100E+01, 2.667564300E-01, -4.152476300E-04, 3.137697200E-07, -9.249759700E-11, -8.256587000E+05, 3.225479100E+01] ), NASA( [ 1000.00, 3000.00], [ 4.523836400E+01, 2.766142400E-02, -1.467551200E-05, 3.888584800E-09, -3.666048200E-13, -8.368641700E+05, -2.373956500E+02] ) ) # note = "J 9/67" ) species(name = "B(b)", atoms = " B:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ -1.159316930E+00, 1.137771450E-02, -1.069859880E-05, 2.761064430E-09, 7.317469960E-13, -7.133392100E+01, 4.364398950E+00] ), NASA( [ 1000.00, 2350.00], [ 1.834940940E+00, 1.791987020E-03, -7.978794980E-07, 2.027645120E-10, -1.920283450E-14, -7.832028990E+02, -1.064332980E+01] ) ) # note = "J 6/83" ) species(name = "B(L)", atoms = " B:1 ", thermo = ( NASA( [ 2350.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 6000.00], [ 3.818625510E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 3.360992750E+03, -2.073264730E+01] ) ) # note = "J 6/83" ) species(name = "BN(s)", atoms = " B:1 N:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ -6.928277000E-01, 1.179844010E-02, -3.393398350E-06, -7.141369930E-09, 4.771621370E-12, -3.045390020E+04, 2.413611660E+00] ), NASA( [ 1000.00, 6000.00], [ 2.687399300E+00, 4.246743110E-03, -1.928177050E-06, 3.601707480E-10, -2.367060550E-14, -3.146301260E+04, -1.541877350E+01] ) ) # note = "J 6/66" ) species(name = "B2O3(L)", atoms = " B:2 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.143327400E+01, -2.157803900E-01, 6.405798600E-04, -7.057242000E-07, 2.650915000E-10, -1.549013900E+05, -1.280388000E+02] ), NASA( [ 1000.00, 5000.00], [ 1.560011400E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.568445500E+05, -8.312644400E+01] ) ) # note = "J 6/71" ) species(name = "B3O3H3(cr)", atoms = " B:3 H:3 O:3 ", thermo = ( NASA( [ 298.15, 1000.00], [ 8.159513730E+00, -7.066833500E-03, 9.249246940E-05, -1.028339050E-07, 3.501505710E-11, -1.545696300E+05, -2.752540350E+01] ), NASA( [ 1000.00, 2000.00], [ -1.284705170E+01, 9.195813220E-02, -8.106094360E-05, 3.273228400E-08, -5.016119480E-12, -1.511097220E+05, 7.015361500E+01] ) ) # note = "J 3/65" ) species(name = "Ba(cr)", atoms = " Ba:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.773344430E+00, 2.037522360E-03, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.174338100E+02, -8.909706260E+00] ), NASA( [ 1000.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "SRD 93" ) species(name = "Ba(L)", atoms = " Ba:1 ", thermo = ( NASA( [ 1000.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 6000.00], [ 4.810866790E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.920623810E+02, -2.000275710E+01] ) ) # note = "SRD 93" ) species(name = "BaBr2(s)", atoms = " Ba:1 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 8.498223200E+00, 2.513922400E-03, 2.439065800E-07, -2.969544000E-10, 1.287498900E-13, -9.378224100E+04, -3.131273200E+01] ), NASA( [ 1000.00, 1130.00], [ 8.213592400E+00, 3.114371500E-03, -2.401162900E-07, 0.000000000E+00, 0.000000000E+00, -9.368498200E+04, -2.977180800E+01] ) ) # note = "J12/74" ) species(name = "BaBr2(L)", atoms = " Ba:1 Br:2 ", thermo = ( NASA( [ 1130.00, 1000.00], [ 1.261093100E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.293641800E+04, -5.391667300E+01] ), NASA( [ 1000.00, 5000.00], [ 1.261093100E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.293641800E+04, -5.391667300E+01] ) ) # note = "J12/74" ) species(name = "BaCL2(a)", atoms = " Ba:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.720247200E+00, 6.922417800E-03, -1.096092700E-05, 9.699162100E-09, -2.619844300E-12, -1.057920200E+05, -3.076830500E+01] ), NASA( [ 1000.00, 1198.00], [ 1.109640400E+01, -1.113500200E-03, -8.180193700E-07, -2.365137600E-10, 1.832684000E-12, -1.069377700E+05, -4.892674600E+01] ) ) # note = "J12/72" ) species(name = "BaCL2(b)", atoms = " Ba:1 Cl:2 ", thermo = ( NASA( [ 1198.00, 1000.00], [ 1.489559200E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.099413500E+05, -7.527270200E+01] ), NASA( [ 1000.00, 1235.00], [ 1.489559200E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.099413500E+05, -7.527270200E+01] ) ) # note = "J12/72" ) species(name = "BaCL2(L)", atoms = " Ba:1 Cl:2 ", thermo = ( NASA( [ 1235.00, 1000.00], [ 1.308396700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.057805900E+05, -6.081864700E+01] ), NASA( [ 1000.00, 5000.00], [ 1.308396700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.057805900E+05, -6.081864700E+01] ) ) # note = "J12/72" ) species(name = "BaF2(a)", atoms = " Ba:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.320329000E+00, 2.762614700E-02, -5.943034800E-05, 6.063014700E-08, -2.211079300E-11, -1.474524600E+05, -1.912191600E+01] ), NASA( [ 1000.00, 1480.00], [ -2.843928800E+00, -2.199721300E-02, 4.420106100E-05, 5.582469000E-09, -1.390691200E-11, -1.378991900E+05, 4.447293200E+01] ) ) # note = "J12/72" ) species(name = "BaF2(b,c)", atoms = " Ba:1 F:2 ", thermo = ( NASA( [ 1480.00, 1000.00], [ 1.294809400E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.503317500E+05, -6.538366300E+01] ), NASA( [ 1000.00, 1641.00], [ 1.294809400E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.503317500E+05, -6.538366300E+01] ) ) # note = "J12/72" ) species(name = "BaF2(L)", atoms = " Ba:1 F:2 ", thermo = ( NASA( [ 1641.00, 1000.00], [ 1.200655200E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.459771500E+05, -5.670128200E+01] ), NASA( [ 1000.00, 5000.00], [ 1.200655200E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.459771500E+05, -5.670128200E+01] ) ) # note = "J12/72" ) species(name = "BaO(s)", atoms = " Ba:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.920006700E+00, 8.911564800E-03, -1.253128200E-05, 9.186870300E-09, -2.612906900E-12, -6.739436900E+04, -1.584246800E+01] ), NASA( [ 1000.00, 2286.00], [ 5.597056600E+00, 1.724286400E-03, -6.024951300E-07, 1.740001700E-10, -1.859479100E-14, -6.771968700E+04, -2.384852100E+01] ) ) # note = "J 6/74" ) species(name = "BaO(L)", atoms = " Ba:1 O:1 ", thermo = ( NASA( [ 2286.00, 1000.00], [ 8.051671500E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.322373700E+04, -3.681860100E+01] ), NASA( [ 1000.00, 5000.00], [ 8.051671500E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.322373700E+04, -3.681860100E+01] ) ) # note = "J 6/74" ) species(name = "BaO2H2(s)", atoms = " Ba:1 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ -1.542916800E-01, 7.510873800E-02, -1.491507200E-04, 1.346251400E-07, -4.271540900E-11, -1.160355200E+05, -3.107507800E+00] ), NASA( [ 1000.00, 681.15], [ -1.542916800E-01, 7.510873800E-02, -1.491507200E-04, 1.346251400E-07, -4.271540900E-11, -1.160355200E+05, -3.107507800E+00] ) ) # note = "J12/75" ) species(name = "BaO2H2(L)", atoms = " Ba:1 O:2 H:2 ", thermo = ( NASA( [ 681.15, 1000.00], [ 1.695883300E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.179749800E+05, -8.335161100E+01] ), NASA( [ 1000.00, 5000.00], [ 1.695883300E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.179749800E+05, -8.335161100E+01] ) ) # note = "J12/75" ) species(name = "BaS(s)", atoms = " Ba:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.365867600E+00, 1.241828400E-03, 3.980459000E-06, -6.621542800E-09, 2.967889800E-12, -5.743627000E+04, -2.163810200E+01] ), NASA( [ 1000.00, 3000.00], [ 5.909663100E+00, 1.159356100E-03, -1.927981000E-07, 6.660900700E-11, -8.328041100E-15, -5.762453800E+04, -2.471073700E+01] ) ) # note = "J 9/77" ) species(name = "Be(a)", atoms = " Be:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ -1.347749020E+00, 1.923408340E-02, -3.541634230E-05, 3.088951430E-08, -1.008147440E-11, -1.964460050E+02, 4.408358220E+00] ), NASA( [ 1000.00, 1543.00], [ 8.060364680E-01, 5.373259460E-03, -4.862417570E-06, 2.398340170E-09, -4.371865520E-13, -4.105251290E+02, -4.799617160E+00] ) ) # note = "SRD 93" ) species(name = "Be(b)", atoms = " Be:1 ", thermo = ( NASA( [ 1543.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 1563.00], [ 3.608150090E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -8.522291920E+02, -2.002910240E+01] ) ) # note = "SRD 93" ) species(name = "Be(L)", atoms = " Be:1 ", thermo = ( NASA( [ 1563.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 6000.00], [ 3.545608820E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.074755800E+02, -1.895341260E+01] ) ) # note = "SRD 93" ) species(name = "BeAL2O4(s)", atoms = " Be:1 Al:2 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ -8.054738000E+00, 1.135724000E-01, -1.878272800E-04, 1.480685700E-07, -4.480727800E-11, -2.779804400E+05, 2.713571900E+01] ), NASA( [ 1000.00, 2146.00], [ 2.026555900E+01, -1.046664900E-02, 2.304395400E-05, -1.549368300E-08, 3.602494000E-12, -2.833630100E+05, -1.074722200E+02] ) ) # note = "J12/79" ) species(name = "BeAL2O4(L)", atoms = " Be:1 Al:2 O:4 ", thermo = ( NASA( [ 2146.00, 1000.00], [ 2.963629100E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.805698200E+05, -1.711695400E+02] ), NASA( [ 1000.00, 5000.00], [ 2.963629100E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.805698200E+05, -1.711695400E+02] ) ) # note = "J12/79" ) species(name = "BeBr2(s)", atoms = " Be:1 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.855105800E+00, 7.299176400E-03, 1.267804500E-06, -9.178109700E-09, 4.830677000E-12, -4.484048300E+04, -2.344488600E+01] ), NASA( [ 1000.00, 1500.00], [ -2.271832900E+00, 3.718508400E-02, -4.332163900E-05, 2.305800600E-08, -4.574964100E-12, -4.297125100E+04, 1.670886900E+01] ) ) # note = "J 6/75" ) species(name = "BeCL2(s)", atoms = " Be:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.006574500E+00, 1.953955900E-02, -4.891360500E-06, -2.960415800E-08, 2.353486100E-11, -6.072210000E+04, -1.257977200E+01] ), NASA( [ 1000.00, 688.00], [ 3.006574500E+00, 1.953955900E-02, -4.891360500E-06, -2.960415800E-08, 2.353486100E-11, -6.072210000E+04, -1.257977200E+01] ) ) # note = "J 6/65" ) species(name = "BeCL2(L)", atoms = " Be:1 Cl:2 ", thermo = ( NASA( [ 688.00, 1000.00], [ 1.460371900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.449841700E+04, -7.644878400E+01] ), NASA( [ 1000.00, 5000.00], [ 1.460371900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.449841700E+04, -7.644878400E+01] ) ) # note = "J 6/65" ) species(name = "BeF2(Lqz)", atoms = " Be:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.059377000E+01, -6.639693000E-02, -1.203239800E-04, 8.980055500E-07, -9.666926400E-10, -1.269370800E+05, -9.178511300E+01] ), NASA( [ 1000.00, 500.00], [ 2.059377000E+01, -6.639693000E-02, -1.203239800E-04, 8.980055500E-07, -9.666926400E-10, -1.269370800E+05, -9.178511300E+01] ) ) # note = "J 6/70" ) species(name = "BeF2(hqz)", atoms = " Be:1 F:2 ", thermo = ( NASA( [ 500.00, 1000.00], [ 5.696557600E+00, 4.025835800E-03, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.252888400E+05, -2.709138900E+01] ), NASA( [ 1000.00, 825.00], [ 5.696557600E+00, 4.025835800E-03, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.252888400E+05, -2.709138900E+01] ) ) # note = "J 6/70" ) species(name = "BeF2(L)", atoms = " Be:1 F:2 ", thermo = ( NASA( [ 825.00, 1000.00], [ 7.742336100E+00, -6.968006500E-04, 2.674340600E-06, 3.126254200E-09, -2.545627900E-12, -1.254653000E+05, -3.744030400E+01] ), NASA( [ 1000.00, 2000.00], [ 6.048963900E+00, 4.332849800E-03, 1.875440300E-07, -3.601948200E-10, 9.133882200E-14, -1.251136100E+05, -2.902624800E+01] ) ) # note = "J 6/70" ) species(name = "BeI2(s)", atoms = " Be:1 I:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.677229500E+00, 2.692309200E-02, -2.889520400E-05, 4.007660400E-09, 6.405170200E-12, -2.444696800E+04, -7.553091900E+00] ), NASA( [ 1000.00, 753.00], [ 2.677229500E+00, 2.692309200E-02, -2.889520400E-05, 4.007660400E-09, 6.405170200E-12, -2.444696800E+04, -7.553091900E+00] ) ) # note = "J12/75" ) species(name = "BeI2(L)", atoms = " Be:1 I:2 ", thermo = ( NASA( [ 753.00, 1000.00], [ 1.358719600E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.599331200E+04, -6.331357300E+01] ), NASA( [ 1000.00, 5000.00], [ 1.358719600E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.599331200E+04, -6.331357300E+01] ) ) # note = "J12/75" ) species(name = "BeO(a)", atoms = " Be:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ -3.069952250E+00, 3.220994140E-02, -4.851414360E-05, 3.512631330E-08, -9.826008580E-12, -7.332023400E+04, 1.140949790E+01] ), NASA( [ 1000.00, 2373.00], [ 3.223754880E+00, 4.892762440E-03, -3.058325910E-06, 9.914014330E-10, -1.234425710E-13, -7.451407610E+04, -1.852395820E+01] ) ) # note = "J12/74" ) species(name = "BeO(b)", atoms = " Be:1 O:1 ", thermo = ( NASA( [ 2373.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 2821.22], [ 1.239334710E+01, -1.032230750E-02, 6.527335910E-06, -1.730938890E-09, 1.709864940E-13, -7.817596100E+04, -7.054176310E+01] ) ) # note = "J12/74" ) species(name = "BeO(L)", atoms = " Be:1 O:1 ", thermo = ( NASA( [ 2821.22, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 6000.00], [ 9.561231640E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.420164130E+04, -5.806354420E+01] ) ) # note = "J12/74" ) species(name = "BeO2H2(b)", atoms = " Be:1 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ -7.016832500E+00, 8.300565400E-02, -1.415202900E-04, 1.142166500E-07, -3.510553500E-11, -1.095071100E+05, 2.661606100E+01] ), NASA( [ 1000.00, 1000.00], [ -7.016832500E+00, 8.300565400E-02, -1.415202900E-04, 1.142166500E-07, -3.510553500E-11, -1.095071100E+05, 2.661606100E+01] ) ) # note = "J12/75" ) species(name = "BeS(s)", atoms = " Be:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ -2.873000500E+00, 3.807870400E-02, -6.250670500E-05, 4.890427800E-08, -1.463858100E-11, -2.855518200E+04, 1.184292200E+01] ), NASA( [ 1000.00, 3000.00], [ 3.478703600E+00, 6.510623300E-03, -4.131404500E-06, 1.244993000E-09, -1.382194700E-13, -2.956653000E+04, -1.739132600E+01] ) ) # note = "J 9/77" ) species(name = "Be2C(s)", atoms = " Be:2 C:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.437417000E+00, 2.569453800E-03, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.550732400E+04, -2.408612100E+01] ), NASA( [ 1000.00, 2400.00], [ 4.437417000E+00, 2.569453800E-03, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.550732400E+04, -2.408612100E+01] ) ) # note = "BAR 73" ) species(name = "Be2C(L)", atoms = " Be:2 C:1 ", thermo = ( NASA( [ 2400.00, 1000.00], [ 1.107089700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.496964100E+04, -6.577511600E+01] ), NASA( [ 1000.00, 5000.00], [ 1.107089700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.496964100E+04, -6.577511600E+01] ) ) # note = "BAR 73" ) species(name = "Br2(cr)", atoms = " Br:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 9.125459940E+00, -8.261608810E-02, 6.998615170E-04, -2.408430640E-06, 3.211060160E-09, -3.304088200E+03, -3.017279960E+01] ), NASA( [ 1000.00, 265.90], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "L 1/93" ) species(name = "Br2(L)", atoms = " Br:2 ", thermo = ( NASA( [ 265.90, 1000.00], [ 1.042529370E+01, 1.111812270E-01, -1.068569880E-03, 3.259765720E-06, -3.274903980E-09, -3.506204030E+03, -4.907570830E+01] ), NASA( [ 1000.00, 332.50], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "L 1/93" ) species(name = "C(gr)", atoms = " C:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ -3.108720720E-01, 4.403536860E-03, 1.903941180E-06, -6.385469660E-09, 2.989642480E-12, -1.086507940E+02, 1.113829530E+00] ), NASA( [ 1000.00, 5000.00], [ 1.455718290E+00, 1.717022160E-03, -6.975627860E-07, 1.352770320E-10, -9.675906520E-15, -6.951388140E+02, -8.525830330E+00] ) ) # note = "X 4/83" ) species(name = "C6H6(L)", atoms = " C:6 H:6 ", thermo = ( NASA( [ 278.68, 1000.00], [ 6.366902290E+01, -6.005343980E-01, 2.667928100E-03, -5.063088280E-06, 3.639555620E-09, -1.670854720E+03, -2.438917970E+02] ), NASA( [ 1000.00, 500.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "X10/86" ) species(name = "C7H8(L)", atoms = " C:7 H:8 ", thermo = ( NASA( [ 178.15, 1000.00], [ 2.936760220E+01, -1.947226860E-01, 9.747730960E-04, -1.914726890E-06, 1.480970190E-09, -4.163184420E+03, -1.120199660E+02] ), NASA( [ 1000.00, 500.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "X10/86" ) species(name = "C8H18(L),n-octa", atoms = " C:8 H:18 ", thermo = ( NASA( [ 220.00, 1000.00], [ 7.141339300E+01, -5.020795000E-01, 1.834199000E-03, -2.045016500E-06, 0.000000000E+00, -4.124372500E+04, -2.772224000E+02] ), NASA( [ 1000.00, 300.00], [ 7.141339300E+01, -5.020795000E-01, 1.834199000E-03, -2.045016500E-06, 0.000000000E+00, -4.124372500E+04, -2.772224000E+02] ) ) # note = "X10/76" ) species(name = "Jet-A(L)", atoms = " C:12 H:23 ", thermo = ( NASA( [ 220.00, 1000.00], [ 1.904961300E+01, -1.691853200E-02, 6.302203500E-04, -1.333657700E-06, 9.433563800E-10, -4.480396400E+04, -6.769020000E+01] ), NASA( [ 1000.00, 550.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "L 6/88" ) species(name = "Ca(a)", atoms = " Ca:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.033256490E+00, -1.418000640E-03, 7.244875740E-06, -6.687905940E-09, 2.499038890E-12, -8.933105080E+02, -1.201142880E+01] ), NASA( [ 1000.00, 716.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "SRD 93" ) species(name = "Ca(b)", atoms = " Ca:1 ", thermo = ( NASA( [ 716.00, 1000.00], [ 5.701117680E+00, -5.810564900E-03, 4.022125180E-06, 0.000000000E+00, 0.000000000E+00, -1.516763610E+03, -2.607581340E+01] ), NASA( [ 1000.00, 1115.00], [ 5.701117680E+00, -5.810564900E-03, 4.022125180E-06, 0.000000000E+00, 0.000000000E+00, -1.516763610E+03, -2.607581340E+01] ) ) # note = "SRD 93" ) species(name = "Ca(L)", atoms = " Ca:1 ", thermo = ( NASA( [ 1115.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 6000.00], [ 4.570323450E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.822433080E+02, -2.119886430E+01] ) ) # note = "SRD 93" ) species(name = "CaBr2(s)", atoms = " Ca:1 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.269339400E+00, 2.369780500E-02, -4.979990900E-05, 4.670722400E-08, -1.521609700E-11, -8.444736700E+04, -1.965944500E+01] ), NASA( [ 1000.00, 1015.00], [ 6.629970700E+00, 4.028391000E-03, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -8.393967400E+04, -2.252384300E+01] ) ) # note = "J 6/74" ) species(name = "CaBr2(L)", atoms = " Ca:1 Br:2 ", thermo = ( NASA( [ 1015.00, 1000.00], [ 1.358719600E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -8.542873800E+04, -6.315165900E+01] ), NASA( [ 1000.00, 5000.00], [ 1.358719600E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -8.542873800E+04, -6.315165900E+01] ) ) # note = "J 6/74" ) species(name = "CaCO3(caL)", atoms = " Ca:1 C:1 O:3 ", thermo = ( NASA( [ 298.15, 1000.00], [ -1.769689530E+00, 6.188846850E-02, -8.823801390E-05, 4.619090150E-08, -2.987297400E-12, -1.466918120E+05, 6.324125320E+00] ), NASA( [ 1000.00, 1200.00], [ 1.443881620E+01, -1.397778070E-03, 2.043331030E-06, 0.000000000E+00, 0.000000000E+00, -1.504007100E+05, -7.284454890E+01] ) ) # note = "BAR 89" ) species(name = "CaCL2(s)", atoms = " Ca:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.355467500E+00, 1.378431000E-02, -2.442140300E-05, 1.955128000E-08, -4.953416900E-12, -9.804178300E+04, -2.681414600E+01] ), NASA( [ 1000.00, 1045.00], [ 8.733240800E+00, 2.395514100E-04, 9.446737700E-07, 4.585186300E-10, -5.974952900E-14, -9.830808000E+04, -3.723666700E+01] ) ) # note = "J 6/70" ) species(name = "CaCL2(L)", atoms = " Ca:1 Cl:2 ", thermo = ( NASA( [ 1045.00, 1000.00], [ 1.233214100E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.802395200E+04, -5.804746800E+01] ), NASA( [ 1000.00, 5000.00], [ 1.233214100E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.802395200E+04, -5.804746800E+01] ) ) # note = "J 6/70" ) species(name = "CaF2(a)", atoms = " Ca:1 F:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ -3.915371760E-01, 5.746647420E-02, -1.308342590E-04, 1.327382840E-07, -4.816416340E-11, -1.489636140E+05, -1.917968730E+00] ), NASA( [ 1000.00, 1424.00], [ 1.034399080E+00, 2.184024890E-02, -2.047961130E-05, 1.033819960E-08, -1.918437680E-12, -1.480104450E+05, -2.080489250E+00] ) ) # note = "J12/68" ) species(name = "CaF2(b)", atoms = " Ca:1 F:2 ", thermo = ( NASA( [ 1424.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 1691.00], [ 1.428661050E+01, -1.102494370E-03, 1.417754010E-06, -2.812320820E-10, 0.000000000E+00, -1.554533200E+05, -7.918663600E+01] ) ) # note = "J12/68" ) species(name = "CaF2(L)", atoms = " Ca:1 F:2 ", thermo = ( NASA( [ 1691.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 6000.00], [ 1.201681400E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.479082920E+05, -6.049279840E+01] ) ) # note = "J12/68" ) species(name = "CaO(s)", atoms = " Ca:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.693768800E+00, 1.814966300E-02, -2.837260900E-05, 2.051353900E-08, -5.517576800E-12, -7.748276900E+04, -9.371008100E+00] ), NASA( [ 1000.00, 3200.00], [ 5.655751700E+00, 1.016543900E-03, -2.557689900E-07, 5.451439500E-11, -4.257995000E-15, -7.823838100E+04, -2.822337200E+01] ) ) # note = "J 6/73" ) species(name = "CaO(L)", atoms = " Ca:1 O:1 ", thermo = ( NASA( [ 3200.00, 1000.00], [ 7.548442100E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.117929200E+04, -3.808394800E+01] ), NASA( [ 1000.00, 5000.00], [ 7.548442100E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.117929200E+04, -3.808394800E+01] ) ) # note = "J 6/73" ) species(name = "CaO2H2(s)", atoms = " Ca:1 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ -7.402276700E-01, 6.756646800E-02, -1.319128100E-04, 1.198906800E-07, -4.061304500E-11, -1.204354300E+05, -1.009707500E+00] ), NASA( [ 1000.00, 1000.00], [ -7.402276700E-01, 6.756646800E-02, -1.319128100E-04, 1.198906800E-07, -4.061304500E-11, -1.204354300E+05, -1.009707500E+00] ) ) # note = "J12/75" ) species(name = "CaS(s)", atoms = " Ca:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.647555800E+00, 4.931551600E-03, -5.530890300E-06, 3.066395900E-09, -6.078561000E-13, -5.847704700E+04, -2.092271000E+01] ), NASA( [ 1000.00, 3000.00], [ 5.653051900E+00, 1.362587400E-03, -7.278117600E-07, 2.498976300E-10, -3.096812600E-14, -5.871034100E+04, -2.590639500E+01] ) ) # note = "J 9/77" ) species(name = "CaSO4(s)", atoms = " Ca:1 S:1 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 8.444190500E+00, 1.187621500E-02, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.755324200E+05, -3.882013400E+01] ), NASA( [ 1000.00, 5000.00], [ 8.444190500E+00, 1.187621500E-02, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.755324200E+05, -3.882013400E+01] ) ) # note = "BAR 73" ) species(name = "Cr(cr)", atoms = " Cr:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 7.848260240E+00, -1.162760200E-01, 8.123692510E-04, -2.308070860E-06, 2.353281420E-09, -8.980139460E+02, -2.757331390E+01] ), NASA( [ 1000.00, 311.50], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "J 6/73" ) species(name = "Cr(L)", atoms = " Cr:1 ", thermo = ( NASA( [ 2130.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 6000.00], [ 4.730284770E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 5.753592210E+02, -2.453183090E+01] ) ) # note = "J 6/73" ) species(name = "CrN(s)", atoms = " Cr:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 9.715290400E+00, -2.377537200E-02, 5.256101500E-05, -4.839074700E-08, 1.627075700E-11, -1.632342200E+04, -4.573005000E+01] ), NASA( [ 1000.00, 2500.00], [ 5.694453900E+00, 5.301169000E-04, 2.270582900E-07, -8.148325400E-11, 1.080379600E-14, -1.583600200E+04, -2.813170400E+01] ) ) # note = "J12/73" ) species(name = "Cr2N(s)", atoms = " Cr:2 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.030338800E+00, 3.400644100E-02, -6.152494600E-05, 5.314254800E-08, -1.676952100E-11, -1.676831300E+04, -1.160069800E+01] ), NASA( [ 1000.00, 2500.00], [ 8.098418500E+00, 1.853361100E-03, 1.422730600E-06, -5.589639000E-10, 6.930711000E-14, -1.768480100E+04, -3.914747200E+01] ) ) # note = "J12/73" ) species(name = "Cr2O3(s)", atoms = " Cr:2 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.933277300E+01, -1.020738500E-01, 2.360110300E-04, -2.257801900E-07, 7.779928900E-11, -1.424040600E+05, -1.357428100E+02] ), NASA( [ 1000.00, 2603.00], [ 1.401223500E+01, 1.382397800E-03, -2.377922600E-07, 1.699508500E-10, -3.770585700E-14, -1.409821700E+05, -7.110156900E+01] ) ) # note = "J12/73" ) species(name = "Cr2O3(L)", atoms = " Cr:2 O:3 ", thermo = ( NASA( [ 2603.00, 1000.00], [ 1.887110500E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.336949800E+05, -9.996147000E+01] ), NASA( [ 1000.00, 5000.00], [ 1.887110500E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.336949800E+05, -9.996147000E+01] ) ) # note = "J12/73" ) species(name = "Cs(cr)", atoms = " Cs:1 ", thermo = ( NASA( [ 100.00, 1000.00], [ 3.311571940E+00, -9.679747930E-03, 1.199265760E-04, -5.206080840E-07, 8.334159270E-10, -9.808444350E+02, -8.108668710E+00] ), NASA( [ 1000.00, 301.59], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "CODA89" ) species(name = "Cs(L)", atoms = " Cs:1 ", thermo = ( NASA( [ 301.59, 1000.00], [ 3.203581300E+00, 6.535602060E-03, -1.886093020E-05, 1.882624900E-08, -6.103717820E-12, -8.613418550E+02, -8.431003880E+00] ), NASA( [ 1000.00, 2000.00], [ 5.115129550E+00, -3.839702910E-03, 2.015552570E-06, 3.642025990E-10, -5.439745010E-14, -1.138417670E+03, -1.705676240E+01] ) ) # note = "CODA89" ) species(name = "CsCL(a)", atoms = " Cs:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.545340000E+00, 2.380583400E-03, 8.357033000E-07, -9.957164000E-10, 3.805480300E-13, -5.502653500E+04, -2.016426000E+01] ), NASA( [ 1000.00, 743.00], [ 5.545340000E+00, 2.380583400E-03, 8.357033000E-07, -9.957164000E-10, 3.805480300E-13, -5.502653500E+04, -2.016426000E+01] ) ) # note = "J 6/68" ) species(name = "CsCL(b)", atoms = " Cs:1 Cl:1 ", thermo = ( NASA( [ 743.00, 1000.00], [ 8.161073700E+00, -1.762356800E-03, -2.250851600E-07, 3.930731700E-09, -2.345234100E-12, -5.548043100E+04, -3.394139600E+01] ), NASA( [ 1000.00, 918.00], [ 8.161073700E+00, -1.762356800E-03, -2.250851600E-07, 3.930731700E-09, -2.345234100E-12, -5.548043100E+04, -3.394139600E+01] ) ) # note = "J 6/68" ) species(name = "CsCL(L)", atoms = " Cs:1 Cl:1 ", thermo = ( NASA( [ 918.00, 1000.00], [ 9.309745200E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.503116100E+04, -4.081013300E+01] ), NASA( [ 1000.00, 5000.00], [ 9.309745200E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.503116100E+04, -4.081013300E+01] ) ) # note = "J 6/68" ) species(name = "CsF(s)", atoms = " Cs:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.648999300E+00, 1.871139800E-03, 6.624238200E-07, -6.308487100E-10, 1.869233900E-13, -6.848510200E+04, -2.214995900E+01] ), NASA( [ 1000.00, 976.00], [ 5.648999300E+00, 1.871139800E-03, 6.624238200E-07, -6.308487100E-10, 1.869233900E-13, -6.848510200E+04, -2.214995900E+01] ) ) # note = "J 6/68" ) species(name = "CsF(L)", atoms = " Cs:1 F:1 ", thermo = ( NASA( [ 976.00, 1000.00], [ 8.907161700E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.806681700E+04, -3.991277400E+01] ), NASA( [ 1000.00, 5000.00], [ 8.907161700E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.806681700E+04, -3.991277400E+01] ) ) # note = "J 6/68" ) species(name = "CsOH(a)", atoms = " Cs:1 O:1 H:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 5.889460510E+00, 6.131899820E-03, 8.607639520E-06, -1.206146890E-08, 0.000000000E+00, -5.220103410E+04, -2.378401270E+01] ), NASA( [ 1000.00, 410.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "J 6/71" ) species(name = "CsOH(b)", atoms = " Cs:1 O:1 H:1 ", thermo = ( NASA( [ 410.00, 1000.00], [ 4.921046240E+00, 1.006551160E-02, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.186606810E+04, -1.874381130E+01] ), NASA( [ 1000.00, 493.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "J 6/71" ) species(name = "CsOH(c)", atoms = " Cs:1 O:1 H:1 ", thermo = ( NASA( [ 493.00, 1000.00], [ 1.006445440E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.244886500E+04, -4.419314780E+01] ), NASA( [ 1000.00, 588.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "J 6/71" ) species(name = "CsOH(L)", atoms = " Cs:1 O:1 H:1 ", thermo = ( NASA( [ 588.00, 1000.00], [ 9.812843000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.175247220E+04, -4.165596050E+01] ), NASA( [ 1000.00, 6000.00], [ 9.812843000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.175247220E+04, -4.165596050E+01] ) ) # note = "J 6/71" ) species(name = "Cs2SO4(II)", atoms = " Cs:2 S:1 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ -2.978930700E+00, 1.265088400E-01, -2.955320600E-04, 3.320730800E-07, -1.310499100E-10, -1.762335200E+05, 1.518574700E+01] ), NASA( [ 1000.00, 940.00], [ -2.978930700E+00, 1.265088400E-01, -2.955320600E-04, 3.320730800E-07, -1.310499100E-10, -1.762335200E+05, 1.518574700E+01] ) ) # note = "J 6/79" ) species(name = "Cs2SO4(I)", atoms = " Cs:2 S:1 O:4 ", thermo = ( NASA( [ 940.00, 1000.00], [ 4.734983600E+00, 1.861960000E-02, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.715413900E+05, 1.373704600E-01] ), NASA( [ 1000.00, 1278.00], [ -2.723272200E-02, 3.135403600E-02, -1.130053100E-05, 3.328310800E-09, 0.000000000E+00, -1.702116300E+05, 2.483998800E+01] ) ) # note = "J 6/79" ) species(name = "Cs2SO4(L)", atoms = " Cs:2 S:1 O:4 ", thermo = ( NASA( [ 1278.00, 1000.00], [ 2.485919800E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.777619800E+05, -1.166574400E+02] ), NASA( [ 1000.00, 5000.00], [ 2.485919800E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.777619800E+05, -1.166574400E+02] ) ) # note = "J 6/79" ) species(name = "Cu(cr)", atoms = " Cu:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.766720740E+00, 7.346994320E-03, -1.547129600E-05, 1.505395910E-08, -5.248613350E-12, -7.438820870E+02, -7.704540440E+00] ), NASA( [ 1000.00, 1358.00], [ 3.420089100E+00, -1.612013940E-03, 3.051459170E-06, -2.111627880E-09, 6.998583970E-13, -9.902956360E+02, -1.519322940E+01] ) ) # note = "CODA89" ) species(name = "Cu(L)", atoms = " Cu:1 ", thermo = ( NASA( [ 1358.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 6000.00], [ 3.944910760E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.106346690E+02, -1.835856760E+01] ) ) # note = "CODA89" ) species(name = "CuF(s)", atoms = " Cu:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.442128800E+00, 7.966907600E-03, -7.280731100E-06, 2.763777300E-09, -2.731884200E-13, -3.533616800E+04, -1.958517000E+01] ), NASA( [ 1000.00, 2000.00], [ 5.321550600E+00, 4.854983200E-03, -3.544004800E-06, 1.110902300E-09, -1.245371600E-13, -3.552171500E+04, -2.390264300E+01] ) ) # note = "J12/77" ) species(name = "CuF2(s)", atoms = " Cu:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.387367600E+00, 1.439710900E-02, -8.621349700E-06, -1.983044600E-09, 2.689674000E-12, -6.668558500E+04, -1.958056100E+01] ), NASA( [ 1000.00, 1109.00], [ 2.355767600E+00, 1.491350800E-02, -6.399519300E-06, 0.000000000E+00, 0.000000000E+00, -6.561062200E+04, -7.162675700E+00] ) ) # note = "J12/77" ) species(name = "CuF2(L)", atoms = " Cu:1 F:2 ", thermo = ( NASA( [ 1109.00, 1000.00], [ 1.207750700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.348799800E+04, -5.673037000E+01] ), NASA( [ 1000.00, 5000.00], [ 1.207750700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.348799800E+04, -5.673037000E+01] ) ) # note = "J12/77" ) species(name = "CuO(s)", atoms = " Cu:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 8.840386600E-01, 2.415885200E-02, -4.389414200E-05, 3.758618100E-08, -1.208827500E-11, -1.978838200E+04, -5.472388000E+00] ), NASA( [ 1000.00, 2000.00], [ 5.025812400E+00, 2.542407700E-03, -1.376829400E-06, 5.349283100E-10, -7.966428100E-14, -2.043328100E+04, -2.437669500E+01] ) ) # note = "J12/77" ) species(name = "CuO2H2(s)", atoms = " Cu:1 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.045118500E+01, 1.345820500E-03, 8.660233900E-06, -6.809234900E-09, 7.443585900E-13, -5.740686500E+04, -4.723880300E+01] ), NASA( [ 1000.00, 1500.00], [ 8.673078700E+00, 1.038576200E-02, -4.699484100E-06, -5.029251300E-10, 5.359316000E-13, -5.723038200E+04, -3.936616100E+01] ) ) # note = "J 6/66" ) species(name = "CuSO4(s)", atoms = " Cu:1 S:1 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.301916600E+00, 3.701232100E-02, -2.899080400E-05, 4.531404500E-09, 2.638844500E-12, -9.499362100E+04, -1.546587800E+01] ), NASA( [ 1000.00, 2000.00], [ 1.131453600E+01, 1.405035200E-02, -1.006356800E-05, 3.720422100E-09, -5.280591400E-13, -9.699820800E+04, -5.625469000E+01] ) ) # note = "J 6/66" ) species(name = "Cu2O(s)", atoms = " Cu:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.383246600E+00, 2.295417600E-02, -3.954230400E-05, 3.402040100E-08, -1.104380900E-11, -2.227315700E+04, -1.353071300E+01] ), NASA( [ 1000.00, 1516.72], [ 1.475564100E+01, -1.587665700E-02, 1.497119300E-05, -4.484026400E-09, 4.055600500E-13, -2.506506800E+04, -7.054187700E+01] ) ) # note = "J12/77" ) species(name = "Cu2O(L)", atoms = " Cu:2 O:1 ", thermo = ( NASA( [ 1516.72, 1000.00], [ 1.201712000E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.925238700E+04, -5.688686600E+01] ), NASA( [ 1000.00, 5000.00], [ 1.201712000E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.925238700E+04, -5.688686600E+01] ) ) # note = "J12/77" ) species(name = "Cu2O5S(s)", atoms = " Cu:2 O:5 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.525717800E+00, 7.220595800E-02, -9.785566500E-05, 6.543249900E-08, -1.674445300E-11, -1.147864600E+05, -1.319611200E+01] ), NASA( [ 1000.00, 1500.00], [ 1.601163400E+01, 1.942466800E-02, -1.844825100E-05, 1.118720400E-08, -2.611198300E-12, -1.176162000E+05, -7.872748900E+01] ) ) # note = "J 6/66" ) species(name = "Fe(a)", atoms = " Fe:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.413374760E+00, -1.577807440E-03, 2.147013390E-05, -3.801714380E-08, 2.204269840E-11, -7.743809980E+02, -1.065602960E+01] ), NASA( [ 1000.00, 1042.00], [ 4.690801730E+03, -9.906599910E+00, 2.694274460E-03, 5.544453210E-06, -3.016598230E-09, -1.415475860E+06, -2.492943870E+04] ) ) # note = "J 3/78" ) species(name = "Fe(c)", atoms = " Fe:1 ", thermo = ( NASA( [ 1184.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 1665.00], [ 6.101099900E+01, -1.609450610E-01, 1.683694930E-04, -7.745637020E-08, 1.330912900E-11, -1.653354540E+04, -3.137106680E+02] ) ) # note = "J 3/78" ) species(name = "Fe(d)", atoms = " Fe:1 ", thermo = ( NASA( [ 1665.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 1809.00], [ -4.359046980E+02, 7.684894480E-01, -4.468988920E-04, 8.670709130E-08, 0.000000000E+00, 1.879255340E+05, 2.450576190E+03] ) ) # note = "J 3/78" ) species(name = "Fe(L)", atoms = " Fe:1 ", thermo = ( NASA( [ 1809.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 6000.00], [ 5.535383320E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.274289410E+03, -2.947722710E+01] ) ) # note = "J 3/78" ) species(name = "FeC5O5(L)", atoms = " Fe:1 C:5 O:5 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.811845000E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.005248300E+05, -1.196654100E+02] ), NASA( [ 1000.00, 5000.00], [ 2.811845000E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.005248300E+05, -1.196654100E+02] ) ) # note = "J 3/78" ) species(name = "FeCL2(s)", atoms = " Fe:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.112227100E+00, 1.108695300E-02, -1.707274200E-05, 1.351581700E-08, -4.136503600E-12, -4.360098500E+04, -2.899405500E+01] ), NASA( [ 1000.00, 950.00], [ 7.112227100E+00, 1.108695300E-02, -1.707274200E-05, 1.351581700E-08, -4.136503600E-12, -4.360098500E+04, -2.899405500E+01] ) ) # note = "J12/70" ) species(name = "FeCL2(L)", atoms = " Fe:1 Cl:2 ", thermo = ( NASA( [ 950.00, 1000.00], [ 1.228886300E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.110982100E+04, -5.319305700E+01] ), NASA( [ 1000.00, 5000.00], [ 1.228886300E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.110982100E+04, -5.319305700E+01] ) ) # note = "J12/70" ) species(name = "FeCL3(s)", atoms = " Fe:1 Cl:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ -7.395568550E+00, 2.026084340E-01, -8.445059230E-04, 1.592866020E-06, -1.079893210E-09, -5.001446640E+04, 2.444509350E+01] ), NASA( [ 1000.00, 577.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "J 6/65" ) species(name = "FeCL3(L)", atoms = " Fe:1 Cl:3 ", thermo = ( NASA( [ 577.00, 1000.00], [ 1.610312700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.841352780E+04, -6.757589900E+01] ), NASA( [ 1000.00, 6000.00], [ 1.610312700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.841352780E+04, -6.757589900E+01] ) ) # note = "J 6/65" ) species(name = "FeO(s)", atoms = " Fe:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.319547500E+00, 2.209659100E-03, 1.072177500E-06, -2.792972900E-09, 1.332073300E-12, -3.440716500E+04, -2.368603400E+01] ), NASA( [ 1000.00, 1650.00], [ 5.831648900E+00, 1.427515600E-03, -9.320814300E-08, -6.599776300E-12, -2.251214300E-14, -3.456690200E+04, -2.644699000E+01] ) ) # note = "J 6/65" ) species(name = "FeO(L)", atoms = " Fe:1 O:1 ", thermo = ( NASA( [ 1650.00, 1000.00], [ 8.202248200E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.384861500E+04, -4.007912900E+01] ), NASA( [ 1000.00, 5000.00], [ 8.202248200E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.384861500E+04, -4.007912900E+01] ) ) # note = "J 6/65" ) species(name = "Fe(OH)2(s)", atoms = " Fe:1 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.009121800E+01, 4.452314100E-03, 4.066685500E-06, -4.009452500E-09, 2.394716400E-13, -7.227768800E+04, -4.840003400E+01] ), NASA( [ 1000.00, 1500.00], [ 7.403180800E+00, 1.198174200E-02, -1.495761100E-06, -5.052635900E-09, 2.003711100E-12, -7.159226600E+04, -3.467326700E+01] ) ) # note = "J 6/66" ) species(name = "Fe(OH)3(s)", atoms = " Fe:1 O:3 H:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.411683600E+00, 3.268246200E-02, -2.239381500E-05, 2.864679200E-09, 2.262232100E-12, -1.027183400E+05, -2.133101400E+01] ), NASA( [ 1000.00, 1500.00], [ 8.022392600E+00, 1.642013500E-02, -1.236937800E-07, -6.819283800E-09, 2.327690700E-12, -1.032133600E+05, -3.793402000E+01] ) ) # note = "J 6/66" ) species(name = "FeS(a)", atoms = " Fe:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.897762700E+01, -1.095428200E-01, 2.218601600E-04, 0.000000000E+00, 0.000000000E+00, -1.499524200E+04, -7.812543500E+01] ), NASA( [ 1000.00, 411.00], [ 1.897762700E+01, -1.095428200E-01, 2.218601600E-04, 0.000000000E+00, 0.000000000E+00, -1.499524200E+04, -7.812543500E+01] ) ) # note = "J 9/77" ) species(name = "FeS(b)", atoms = " Fe:1 S:1 ", thermo = ( NASA( [ 411.00, 1000.00], [ 8.702850500E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.468973800E+04, -4.208210200E+01] ), NASA( [ 1000.00, 598.00], [ 8.702850500E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.468973800E+04, -4.208210200E+01] ) ) # note = "J 9/77" ) species(name = "FeS(c)", atoms = " Fe:1 S:1 ", thermo = ( NASA( [ 598.00, 1000.00], [ 9.372417600E+00, 9.416205900E-04, -1.582986400E-05, 1.838088100E-08, -5.770706700E-12, -1.458168500E+04, -4.514151600E+01] ), NASA( [ 1000.00, 1463.00], [ -2.683048300E+00, 3.676510400E-02, -5.218227400E-05, 3.160717000E-08, -6.412604100E-12, -1.149868400E+04, 1.623912400E+01] ) ) # note = "J 9/77" ) species(name = "FeS(L)", atoms = " Fe:1 S:1 ", thermo = ( NASA( [ 1463.00, 1000.00], [ 7.523280600E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.016423700E+04, -3.197093000E+01] ), NASA( [ 1000.00, 5000.00], [ 7.523280600E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.016423700E+04, -3.197093000E+01] ) ) # note = "J 9/77" ) species(name = "FeSO4(s)", atoms = " Fe:1 S:1 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.505768400E+00, 3.702970100E-02, -2.903353100E-05, 4.577858900E-09, 2.620208700E-12, -1.141625000E+05, -1.522324100E+01] ), NASA( [ 1000.00, 2000.00], [ 1.160892900E+01, 1.380469700E-02, -9.812638000E-06, 3.608781100E-09, -5.097627900E-13, -1.161918600E+05, -5.647781700E+01] ) ) # note = "J 6/66" ) species(name = "FeS2(s)", atoms = " Fe:1 S:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.034566300E-01, 4.267468400E-02, -8.403062600E-05, 7.630144100E-08, -2.543231600E-11, -2.204592700E+04, -5.545639300E+00] ), NASA( [ 1000.00, 1400.00], [ -8.851532000E+01, 3.274893100E-01, -4.105743900E-04, 2.292814600E-07, -4.776441500E-11, -4.651247600E+02, 4.417304500E+02] ) ) # note = "J 9/77" ) species(name = "Fe2O3(s)", atoms = " Fe:2 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ -7.703784300E+00, 1.364747100E-01, -3.290565500E-04, 3.815047800E-07, -1.631028500E-10, -1.008007600E+05, 2.529208500E+01] ), NASA( [ 1000.00, 2500.00], [ 4.049753000E+01, -4.613159600E-02, 3.182640600E-05, -8.922633100E-09, 8.465541700E-13, -1.131762700E+05, -2.163508800E+02] ) ) # note = "J 6/65" ) species(name = "Fe2S3O12(s)", atoms = " Fe:2 S:3 O:12 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.111695500E+01, 8.370677800E-02, -4.136507500E-05, -2.527922200E-08, 2.104143500E-11, -3.172978200E+05, -4.928875000E+01] ), NASA( [ 1000.00, 2000.00], [ 3.911443800E+01, 1.179632700E-02, -3.387101400E-08, -2.297039900E-09, 6.410198600E-13, -3.247826200E+05, -1.940042900E+02] ) ) # note = "J 6/66" ) species(name = "Fe3O4(s)", atoms = " Fe:3 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.619814800E+01, -1.743797600E-01, 5.247567300E-04, -5.423821900E-07, 1.799620200E-10, -1.413873000E+05, -1.555668300E+02] ), NASA( [ 1000.00, 5000.00], [ 2.413372000E+01, 4.159222600E-05, -2.633149200E-08, 6.603509400E-12, -5.692468000E-16, -1.412105200E+05, -1.200641200E+02] ) ) # note = "J 6/65" ) species(name = "H2O(s)", atoms = " H:2 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.296779700E+00, -6.757492470E-02, 5.169421090E-04, -1.438533600E-06, 1.525647940E-09, -3.622665570E+04, -1.792204280E+01] ), NASA( [ 1000.00, 273.15], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "L 8/89" ) species(name = "H2O(L)", atoms = " H:2 O:1 ", thermo = ( NASA( [ 273.15, 1000.00], [ 7.255750050E+01, -6.624454020E-01, 2.561987460E-03, -4.365919230E-06, 2.781789810E-09, -4.188654990E+04, -2.882801370E+02] ), NASA( [ 1000.00, 600.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "L 8/89" ) species(name = "H2SO4(L)", atoms = " H:2 S:1 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 9.942152500E+00, 2.178636900E-02, 3.497445800E-06, -3.354885700E-09, 1.169958600E-12, -1.018597900E+05, -4.439869500E+01] ), NASA( [ 1000.00, 1000.00], [ 9.942152500E+00, 2.178636900E-02, 3.497445800E-06, -3.354885700E-09, 1.169958600E-12, -1.018597900E+05, -4.439869500E+01] ) ) # note = "J 9/77" ) species(name = "Hg(cr)", atoms = " Hg:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.431033850E+00, 4.246466580E-03, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.178868060E+03, -7.112481140E+00] ), NASA( [ 1000.00, 234.29], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "J12/61" ) species(name = "Hg(L)", atoms = " Hg:1 ", thermo = ( NASA( [ 234.29, 1000.00], [ 3.796852480E+00, -2.090261090E-03, 2.222671070E-06, -1.086056550E-10, -4.280872480E-13, -1.058346310E+03, -1.196269360E+01] ), NASA( [ 1000.00, 2000.00], [ 3.036534870E+00, 3.160066660E-04, 6.439011720E-08, -2.923069910E-11, 4.868609180E-15, -8.881705020E+02, -8.172430180E+00] ) ) # note = "J12/61" ) species(name = "HgBr2(s)", atoms = " Hg:1 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 8.282971400E+00, 1.630236400E-03, 3.422987900E-06, 7.096199200E-10, -4.335386200E-12, -2.295243800E+04, -2.734527600E+01] ), NASA( [ 1000.00, 514.00], [ 8.282971400E+00, 1.630236400E-03, 3.422987900E-06, 7.096199200E-10, -4.335386200E-12, -2.295243800E+04, -2.734527600E+01] ) ) # note = "J 3/62" ) species(name = "HgBr2(L)", atoms = " Hg:1 Br:2 ", thermo = ( NASA( [ 514.00, 1000.00], [ 1.227879900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.250089800E+04, -4.685121200E+01] ), NASA( [ 1000.00, 5000.00], [ 1.227879900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.250089800E+04, -4.685121200E+01] ) ) # note = "J 3/62" ) species(name = "HgO(s)", atoms = " Hg:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.417086600E+00, 7.116057000E-03, -1.489699600E-06, -4.491354800E-09, 2.593792400E-12, -1.223327000E+04, -1.303718500E+01] ), NASA( [ 1000.00, 1000.00], [ 3.417086600E+00, 7.116057000E-03, -1.489699600E-06, -4.491354800E-09, 2.593792400E-12, -1.223327000E+04, -1.303718500E+01] ) ) # note = "J 6/62" ) species(name = "I2(cr)", atoms = " I:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ -1.057577130E+01, 2.269056530E-01, -1.124616450E-03, 2.416784520E-06, -1.849013770E-09, -8.997216150E+02, 3.885989640E+01] ), NASA( [ 1000.00, 386.75], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "TPIS89" ) species(name = "I2(L)", atoms = " I:2 ", thermo = ( NASA( [ 386.75, 1000.00], [ 9.568212680E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.204519480E+03, -3.637339270E+01] ), NASA( [ 1000.00, 6000.00], [ 9.568212680E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.204519480E+03, -3.637339270E+01] ) ) # note = "TPIS89" ) species(name = "K(cr)", atoms = " K:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ -2.089511230E+00, 6.163201930E-02, -2.407319030E-04, 3.272558230E-07, 0.000000000E+00, -6.360980590E+02, 9.117369100E+00] ), NASA( [ 1000.00, 336.86], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "CODA89" ) species(name = "K(L)", atoms = " K:1 ", thermo = ( NASA( [ 336.86, 1000.00], [ 4.229105630E+00, -7.068855430E-04, -2.129658480E-06, 3.362272700E-09, -1.059026020E-12, -9.451175140E+02, -1.523400540E+01] ), NASA( [ 1000.00, 2200.00], [ 4.649549310E+00, -2.791741060E-03, 1.808363370E-06, 3.412448680E-11, -4.487821840E-15, -1.014677970E+03, -1.717673470E+01] ) ) # note = "CODA89" ) species(name = "KCN(s)", atoms = " K:1 C:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 8.179972800E+00, -1.401078200E-03, 3.423772500E-06, -3.496173800E-09, 1.305278000E-12, -1.604820100E+04, -3.094452500E+01] ), NASA( [ 1000.00, 895.00], [ 8.179972800E+00, -1.401078200E-03, 3.423772500E-06, -3.496173800E-09, 1.305278000E-12, -1.604820100E+04, -3.094452500E+01] ) ) # note = "J 3/66" ) species(name = "KCN(L)", atoms = " K:1 C:1 N:1 ", thermo = ( NASA( [ 895.00, 1000.00], [ 9.058130500E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.522671700E+04, -3.545408300E+01] ), NASA( [ 1000.00, 5000.00], [ 9.058130500E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.522671700E+04, -3.545408300E+01] ) ) # note = "J 3/66" ) species(name = "KCL(s)", atoms = " K:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.393431100E+00, 2.653524200E-03, 9.607565500E-07, -5.025184300E-09, 4.072122800E-12, -5.424838900E+04, -2.159681400E+01] ), NASA( [ 1000.00, 1044.00], [ 3.915716900E+00, -2.092727100E-03, 4.731018200E-06, 7.015253700E-09, -5.514609800E-12, -5.274706600E+04, -1.014480000E+01] ) ) # note = "J 3/66" ) species(name = "KCL(L)", atoms = " K:1 Cl:1 ", thermo = ( NASA( [ 1044.00, 1000.00], [ 8.851806400E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.336947800E+04, -4.001005900E+01] ), NASA( [ 1000.00, 5000.00], [ 8.851806400E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.336947800E+04, -4.001005900E+01] ) ) # note = "J 3/66" ) species(name = "KF(s)", atoms = " K:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.984397200E+00, 3.594319000E-03, -1.769640100E-06, -4.810614100E-10, 1.028073000E-12, -7.001814900E+04, -2.138450400E+01] ), NASA( [ 1000.00, 1131.00], [ 9.462778200E+00, -6.405751200E-03, 6.391326200E-08, 7.594958900E-09, -3.359810400E-12, -7.124910700E+04, -4.483180400E+01] ) ) # note = "J 6/69" ) species(name = "KF(L)", atoms = " K:1 F:1 ", thermo = ( NASA( [ 1131.00, 1000.00], [ 8.655546900E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.926802500E+04, -4.117993200E+01] ), NASA( [ 1000.00, 5000.00], [ 8.655546900E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.926802500E+04, -4.117993200E+01] ) ) # note = "J 6/69" ) species(name = "KHF2(a)", atoms = " K:1 H:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ -9.129849800E+00, 8.661888900E-02, 4.390441200E-05, -6.686759900E-07, 8.045416300E-10, -1.125825900E+05, 4.108280000E+01] ), NASA( [ 1000.00, 469.85], [ -9.129849800E+00, 8.661888900E-02, 4.390441200E-05, -6.686759900E-07, 8.045416300E-10, -1.125825900E+05, 4.108280000E+01] ) ) # note = "J 6/71" ) species(name = "KHF2(b)", atoms = " K:1 H:1 F:2 ", thermo = ( NASA( [ 469.85, 1000.00], [ 1.205737800E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.145712600E+05, -5.417014000E+01] ), NASA( [ 1000.00, 511.95], [ 1.205737800E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.145712600E+05, -5.417014000E+01] ) ) # note = "J 6/71" ) species(name = "KHF2(L)", atoms = " K:1 H:1 F:2 ", thermo = ( NASA( [ 511.95, 1000.00], [ 1.258073700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.140430900E+05, -5.587991500E+01] ), NASA( [ 1000.00, 6000.00], [ 1.258073700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.140430900E+05, -5.587991500E+01] ) ) # note = "J 6/71" ) species(name = "KOH(a)", atoms = " K:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.440097700E+00, 1.131016800E-03, 1.507327200E-05, -1.490611900E-08, 1.055632500E-11, -5.316189800E+04, -2.809885300E+01] ), NASA( [ 1000.00, 516.00], [ 6.440097700E+00, 1.131016800E-03, 1.507327200E-05, -1.490611900E-08, 1.055632500E-11, -5.316189800E+04, -2.809885300E+01] ) ) # note = "J12/70" ) species(name = "KOH(b)", atoms = " K:1 O:1 H:1 ", thermo = ( NASA( [ 516.00, 1000.00], [ 9.460714000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.329164800E+04, -4.336932600E+01] ), NASA( [ 1000.00, 679.00], [ 9.460714000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.329164800E+04, -4.336932600E+01] ) ) # note = "J12/70" ) species(name = "KOH(L)", atoms = " K:1 O:1 H:1 ", thermo = ( NASA( [ 679.00, 1000.00], [ 9.995646900E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.262073100E+04, -4.533439200E+01] ), NASA( [ 1000.00, 5000.00], [ 9.995646900E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.262073100E+04, -4.533439200E+01] ) ) # note = "J12/70" ) species(name = "KO2(s)", atoms = " K:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.877548700E+00, 3.015703100E-02, -5.118225100E-05, 4.163387200E-08, -1.307295600E-11, -3.634072700E+04, -1.441903200E+01] ), NASA( [ 1000.00, 1500.00], [ -1.049454500E+01, 6.885898800E-02, -8.140230700E-05, 4.294769200E-08, -8.496583200E-12, -3.248998900E+04, 5.968591300E+01] ) ) # note = "J 6/71" ) species(name = "K2CO3(s)", atoms = " K:2 C:1 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 8.439863200E+00, 1.883625600E-02, -4.682748300E-07, -1.051961000E-08, 6.431841200E-12, -1.416674400E+05, -3.489442400E+01] ), NASA( [ 1000.00, 1174.00], [ 2.282434100E+01, -1.358099300E-02, 8.740989000E-06, 1.149442500E-08, -6.758814900E-12, -1.457784400E+05, -1.104866500E+02] ) ) # note = "J 3/66" ) species(name = "K2CO3(L)", atoms = " K:2 C:1 O:3 ", thermo = ( NASA( [ 1174.00, 1000.00], [ 2.516146900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.474013800E+05, -1.311073000E+02] ), NASA( [ 1000.00, 5000.00], [ 2.516146900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.474013800E+05, -1.311073000E+02] ) ) # note = "J 3/66" ) species(name = "K2O(s)", atoms = " K:2 O:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 4.430398720E-01, 6.206377050E-02, -1.362310730E-04, 1.363769720E-07, -4.901638600E-11, -4.561258620E+04, -4.759034700E+00] ), NASA( [ 1000.00, 2000.00], [ 7.187026400E+00, 9.114923650E-03, -4.180668800E-06, 1.798982670E-09, -2.839412510E-13, -4.600094260E+04, -3.174498020E+01] ) ) # note = "J 6/63" ) species(name = "K2O2(s)", atoms = " K:2 O:2 ", thermo = ( NASA( [ 298.15, 1000.00], [ 8.826742080E+00, 1.326212640E-02, -1.114395780E-05, 1.095885630E-08, -4.241016050E-12, -6.277352540E+04, -4.025143210E+01] ), NASA( [ 1000.00, 2000.00], [ 1.048162990E+01, 6.908618070E-03, 4.865670380E-07, -2.549027230E-10, 4.083861860E-14, -6.318143180E+04, -4.847729020E+01] ) ) # note = "J 9/63" ) species(name = "K2S(1)", atoms = " K:2 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.136443100E+01, -1.881066300E-01, 5.600572700E-04, -6.970355500E-07, 3.124909400E-10, -4.999740600E+04, -1.281045500E+02] ), NASA( [ 1000.00, 1050.00], [ -7.484933700E+01, 9.361979600E-02, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.721793900E+03, 4.496739300E+02] ) ) # note = "J 3/78" ) species(name = "K2S(2)", atoms = " K:2 S:1 ", thermo = ( NASA( [ 1050.00, 1000.00], [ 1.564281600E+02, -1.266444400E-01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.311441900E+05, -9.279427500E+02] ), NASA( [ 1000.00, 1100.00], [ 1.564281600E+02, -1.266444400E-01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.311441900E+05, -9.279427500E+02] ) ) # note = "J 3/78" ) species(name = "K2S(3)", atoms = " K:2 S:1 ", thermo = ( NASA( [ 1100.00, 1000.00], [ 1.711986700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.452495300E+04, -9.166651100E+01] ), NASA( [ 1000.00, 1221.00], [ 1.711986700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.452495300E+04, -9.166651100E+01] ) ) # note = "J 3/78" ) species(name = "K2S(L)", atoms = " K:2 S:1 ", thermo = ( NASA( [ 1221.00, 1000.00], [ 1.214292700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.652034900E+04, -5.471604300E+01] ), NASA( [ 1000.00, 5000.00], [ 1.214292700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.652034900E+04, -5.471604300E+01] ) ) # note = "J 3/78" ) species(name = "K2SO4(a)", atoms = " K:2 S:1 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.702652600E+00, 8.470971400E-02, -1.763257300E-04, 1.928280300E-07, -7.647089000E-11, -1.759808700E+05, -7.563195100E+00] ), NASA( [ 1000.00, 857.00], [ 1.702652600E+00, 8.470971400E-02, -1.763257300E-04, 1.928280300E-07, -7.647089000E-11, -1.759808700E+05, -7.563195100E+00] ) ) # note = "J 6/78" ) species(name = "K2SO4(b)", atoms = " K:2 S:1 O:4 ", thermo = ( NASA( [ 857.00, 1000.00], [ 1.380717700E+01, 9.673059000E-03, 4.565855100E-08, 0.000000000E+00, 0.000000000E+00, -1.758532600E+05, -5.844129600E+01] ), NASA( [ 1000.00, 1342.00], [ -2.901986600E+02, 1.056963100E+00, -1.347529900E-03, 7.676657600E-07, -1.633744000E-10, -1.055421400E+05, 1.453009400E+03] ) ) # note = "J 6/78" ) species(name = "K2SO4(L)", atoms = " K:2 S:1 O:4 ", thermo = ( NASA( [ 1342.00, 1000.00], [ 2.423049900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.769551900E+05, -1.174022200E+02] ), NASA( [ 1000.00, 5000.00], [ 2.423049900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.769551900E+05, -1.174022200E+02] ) ) # note = "J 6/78" ) species(name = "Li(cr)", atoms = " Li:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 6.109099420E-01, 1.410412170E-02, -1.749581700E-05, -3.337410230E-08, 7.766296650E-11, -6.251212080E+02, -3.264499470E+00] ), NASA( [ 1000.00, 453.69], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "TPIS82" ) species(name = "Li(L)", atoms = " Li:1 ", thermo = ( NASA( [ 453.69, 1000.00], [ 4.622666380E+00, -4.061642050E-03, 5.916661700E-06, -4.249600850E-09, 1.235174730E-12, -9.588112670E+02, -2.127785010E+01] ), NASA( [ 1000.00, 3000.00], [ 3.893142230E+00, -8.427876960E-04, 4.455463280E-07, -3.653374540E-11, 3.892792200E-15, -8.220195560E+02, -1.781830770E+01] ) ) # note = "TPIS82" ) species(name = "LiALO2(s)", atoms = " Li:1 Al:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ -5.284115600E+00, 7.845258700E-02, -1.454157800E-04, 1.246295800E-07, -4.011370500E-11, -1.438183100E+05, 1.857673300E+01] ), NASA( [ 1000.00, 1973.00], [ 8.544089400E+00, 6.488679100E-03, -4.086396900E-06, 1.547146600E-09, -2.249503800E-13, -1.459815000E+05, -4.459061800E+01] ) ) # note = "J12/79" ) species(name = "LiALO2(L)", atoms = " Li:1 Al:1 O:2 ", thermo = ( NASA( [ 1973.00, 1000.00], [ 1.509667900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.416583900E+05, -8.099376700E+01] ), NASA( [ 1000.00, 5000.00], [ 1.509667900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.416583900E+05, -8.099376700E+01] ) ) # note = "J12/79" ) species(name = "LiCL(s)", atoms = " Li:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.109524500E+00, 8.198100300E-03, -1.154187400E-05, 1.058538600E-08, -3.645702200E-12, -5.060826600E+04, -1.829889400E+01] ), NASA( [ 1000.00, 883.00], [ 4.109524500E+00, 8.198100300E-03, -1.154187400E-05, 1.058538600E-08, -3.645702200E-12, -5.060826600E+04, -1.829889400E+01] ) ) # note = "J 6/62" ) species(name = "LiCL(L)", atoms = " Li:1 Cl:1 ", thermo = ( NASA( [ 883.00, 1000.00], [ 1.038302800E+01, -4.717969900E-03, -1.613831700E-06, 8.080717400E-09, -4.445949300E-12, -5.053912000E+04, -4.992196000E+01] ), NASA( [ 1000.00, 2000.00], [ 8.214947700E+00, 5.639136100E-04, -1.735033100E-06, 7.659500800E-10, -1.237847700E-13, -5.000732200E+04, -3.880896100E+01] ) ) # note = "J 6/62" ) species(name = "LiF(s)", atoms = " Li:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.769432500E+00, 1.750522400E-02, -2.803875100E-05, 2.289338500E-08, -6.963365800E-12, -7.529927800E+04, -9.947805700E+00] ), NASA( [ 1000.00, 1121.30], [ 5.540573800E+00, -1.342108000E-04, 1.782560600E-06, 8.899644400E-10, -9.129665400E-13, -7.590036500E+04, -2.744727600E+01] ) ) # note = "J12/68" ) species(name = "LiF(L)", atoms = " Li:1 F:1 ", thermo = ( NASA( [ 1121.30, 1000.00], [ 7.719540100E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.430434700E+04, -3.881548700E+01] ), NASA( [ 1000.00, 5000.00], [ 7.719540100E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.430434700E+04, -3.881548700E+01] ) ) # note = "J12/68" ) species(name = "LiH(s)", atoms = " Li:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.861181200E-01, 1.212795700E-02, -8.690033600E-06, 5.631155500E-09, -1.269348300E-12, -1.148699100E+04, -3.065457500E+00] ), NASA( [ 1000.00, 961.80], [ 3.861181200E-01, 1.212795700E-02, -8.690033600E-06, 5.631155500E-09, -1.269348300E-12, -1.148699100E+04, -3.065457500E+00] ) ) # note = "J 9/67" ) species(name = "LiH(L)", atoms = " Li:1 H:1 ", thermo = ( NASA( [ 961.80, 1000.00], [ 7.498119100E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.158182600E+04, -4.004727800E+01] ), NASA( [ 1000.00, 5000.00], [ 7.498119100E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.158182600E+04, -4.004727800E+01] ) ) # note = "J 9/67" ) species(name = "LiOH(s)", atoms = " Li:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.322779700E-01, 2.534053800E-02, -2.789795000E-05, 8.692589300E-09, 4.149989400E-12, -5.941268000E+04, -4.838269700E+00] ), NASA( [ 1000.00, 744.30], [ 6.322779700E-01, 2.534053800E-02, -2.789795000E-05, 8.692589300E-09, 4.149989400E-12, -5.941268000E+04, -4.838269700E+00] ) ) # note = "J 6/71" ) species(name = "LiOH(L)", atoms = " Li:1 O:1 H:1 ", thermo = ( NASA( [ 744.30, 1000.00], [ 1.047421800E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.018567100E+04, -5.389714000E+01] ), NASA( [ 1000.00, 5000.00], [ 1.047421800E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.018567100E+04, -5.389714000E+01] ) ) # note = "J 6/71" ) species(name = "Li2O(s)", atoms = " Li:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ -3.172723900E-01, 3.614935600E-02, -5.545592100E-05, 4.179643700E-08, -1.180404800E-11, -7.310619600E+04, -2.288833000E+00] ), NASA( [ 1000.00, 1843.00], [ 4.277477600E+00, 7.852167200E-03, -5.222509000E-07, -1.786442600E-09, 5.396103500E-13, -7.339627800E+04, -2.176549700E+01] ) ) # note = "J 3/64" ) species(name = "Li2O(L)", atoms = " Li:2 O:1 ", thermo = ( NASA( [ 1843.00, 1000.00], [ 1.207693100E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.133792100E+04, -6.517497400E+01] ), NASA( [ 1000.00, 5000.00], [ 1.207693100E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.133792100E+04, -6.517497400E+01] ) ) # note = "J 3/64" ) species(name = "Li2SO4(a)", atoms = " Li:2 S:1 O:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ -4.138735970E+00, 1.069405680E-01, -2.093460520E-04, 2.128928220E-07, -8.016251060E-11, -1.748067760E+05, 1.298357730E+01] ), NASA( [ 1000.00, 848.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "J12/78" ) species(name = "Li2SO4(b)", atoms = " Li:2 S:1 O:4 ", thermo = ( NASA( [ 848.00, 1000.00], [ 2.579548120E+01, -2.846250520E-04, 1.533011290E-07, 0.000000000E+00, 0.000000000E+00, -1.803084450E+05, -1.363121680E+02] ), NASA( [ 1000.00, 1132.00], [ 2.610265130E+01, -8.293047280E-04, 3.908107350E-07, 0.000000000E+00, 0.000000000E+00, -1.804224450E+05, -1.380080990E+02] ) ) # note = "J12/78" ) species(name = "Li2SO4(L)", atoms = " Li:2 S:1 O:4 ", thermo = ( NASA( [ 1132.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 6000.00], [ 2.465791320E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.780977980E+05, -1.276261580E+02] ) ) # note = "J12/78" ) species(name = "Li3N(s)", atoms = " Li:3 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.922555800E+00, 2.859870200E-02, -3.533694700E-05, 3.186198500E-08, -1.109350100E-11, -2.167802900E+04, -1.633105700E+01] ), NASA( [ 1000.00, 1300.00], [ 5.442250300E+00, 1.347773700E-02, -1.942232200E-06, -2.496010900E-11, 0.000000000E+00, -2.201577600E+04, -2.745727500E+01] ) ) # note = "J 3/78" ) species(name = "Mg(cr)", atoms = " Mg:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.478849440E+00, 9.274305260E-03, -1.950507880E-05, 1.982155270E-08, -7.049273740E-12, -7.166492990E+02, -6.572226950E+00] ), NASA( [ 1000.00, 923.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "SRD 93" ) species(name = "Mg(L)", atoms = " Mg:1 ", thermo = ( NASA( [ 923.00, 1000.00], [ 4.125318270E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.589343410E+02, -1.937868940E+01] ), NASA( [ 1000.00, 6000.00], [ 4.125318270E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.589343410E+02, -1.937868940E+01] ) ) # note = "SRD 93" ) species(name = "MgAL2O4(s)", atoms = " Mg:1 Al:2 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ -6.391262500E+00, 1.171886000E-01, -2.132517800E-04, 1.827740500E-07, -5.883199100E-11, -2.782714100E+05, 2.013270100E+01] ), NASA( [ 1000.00, 2408.00], [ 1.469767900E+01, 9.330479700E-03, -3.552259800E-06, 1.155053000E-09, -1.433453100E-13, -2.816641100E+05, -7.666868500E+01] ) ) # note = "J12/79" ) species(name = "MgAL2O4(L)", atoms = " Mg:1 Al:2 O:4 ", thermo = ( NASA( [ 2408.00, 1000.00], [ 2.641918800E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.688353600E+05, -1.419858100E+02] ), NASA( [ 1000.00, 5000.00], [ 2.641918800E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.688353600E+05, -1.419858100E+02] ) ) # note = "J12/79" ) species(name = "MgBr2(s)", atoms = " Mg:1 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.196642200E+00, 2.067025300E-02, -3.725393900E-05, 3.193756400E-08, -9.950701600E-12, -6.525261600E+04, -2.028891000E+01] ), NASA( [ 1000.00, 984.00], [ 5.196642200E+00, 2.067025300E-02, -3.725393900E-05, 3.193756400E-08, -9.950701600E-12, -6.525261600E+04, -2.028891000E+01] ) ) # note = "J 6/74" ) species(name = "MgBr2(L)", atoms = " Mg:1 Br:2 ", thermo = ( NASA( [ 984.00, 1000.00], [ 1.258073700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.396298200E+04, -5.625546000E+01] ), NASA( [ 1000.00, 5000.00], [ 1.258073700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.396298200E+04, -5.625546000E+01] ) ) # note = "J 6/74" ) species(name = "MgCO3(s)", atoms = " Mg:1 C:1 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.349192400E+00, 3.693411200E-02, -4.449295200E-05, 3.181590600E-08, -9.754530000E-12, -1.354168500E+05, -9.061873200E+00] ), NASA( [ 1000.00, 1000.00], [ 1.349192400E+00, 3.693411200E-02, -4.449295200E-05, 3.181590600E-08, -9.754530000E-12, -1.354168500E+05, -9.061873200E+00] ) ) # note = "J12/66" ) species(name = "MgCL2(s)", atoms = " Mg:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.449129600E+00, 1.674522400E-02, -2.595690700E-05, 1.911157300E-08, -5.105901400E-12, -7.934389400E+04, -2.426108400E+01] ), NASA( [ 1000.00, 987.00], [ 5.449129600E+00, 1.674522400E-02, -2.595690700E-05, 1.911157300E-08, -5.105901400E-12, -7.934389400E+04, -2.426108400E+01] ) ) # note = "J12/65" ) species(name = "MgCL2(L)", atoms = " Mg:1 Cl:2 ", thermo = ( NASA( [ 987.00, 1000.00], [ 1.107104800E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.629461800E+04, -4.897258800E+01] ), NASA( [ 1000.00, 5000.00], [ 1.107104800E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.629461800E+04, -4.897258800E+01] ) ) # note = "J12/65" ) species(name = "MgF2(s)", atoms = " Mg:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.603611000E+00, 3.179448600E-02, -5.268579800E-05, 4.158770600E-08, -1.261949500E-11, -1.367203400E+05, -9.732317100E+00] ), NASA( [ 1000.00, 1536.00], [ -2.102242700E+00, 3.502422800E-02, -3.974989300E-05, 2.046185900E-08, -3.953441000E-12, -1.353930800E+05, 1.104455500E+01] ) ) # note = "J 6/75" ) species(name = "MgF2(L)", atoms = " Mg:1 F:2 ", thermo = ( NASA( [ 1536.00, 1000.00], [ 1.141676700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.340841000E+05, -5.742506900E+01] ), NASA( [ 1000.00, 5000.00], [ 1.141676700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.340841000E+05, -5.742506900E+01] ) ) # note = "J 6/75" ) species(name = "MgI2(s)", atoms = " Mg:1 I:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.701715900E+00, 1.169702200E-02, -1.683630800E-05, 1.314380900E-08, -4.009995700E-12, -4.652776100E+04, -2.543204300E+01] ), NASA( [ 1000.00, 907.00], [ 6.701715900E+00, 1.169702200E-02, -1.683630800E-05, 1.314380900E-08, -4.009995700E-12, -4.652776100E+04, -2.543204300E+01] ) ) # note = "J12/74" ) species(name = "MgI2(L)", atoms = " Mg:1 I:2 ", thermo = ( NASA( [ 907.00, 1000.00], [ 1.207750700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.552566000E+04, -5.188352600E+01] ), NASA( [ 1000.00, 5000.00], [ 1.207750700E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.552566000E+04, -5.188352600E+01] ) ) # note = "J12/74" ) species(name = "MgO(s)", atoms = " Mg:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ -4.540395300E-01, 2.787326900E-02, -4.906224700E-05, 4.047415100E-08, -1.267034400E-11, -7.305794800E+04, -6.355202000E-01] ), NASA( [ 1000.00, 3105.00], [ 5.044868100E+00, 1.689820100E-03, -7.561769500E-07, 2.028689300E-10, -2.059127100E-14, -7.402928500E+04, -2.632889200E+01] ) ) # note = "J12/74" ) species(name = "MgO(L)", atoms = " Mg:1 O:1 ", thermo = ( NASA( [ 3105.00, 1000.00], [ 8.051671500E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.987945100E+04, -4.434382500E+01] ), NASA( [ 1000.00, 5000.00], [ 8.051671500E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.987945100E+04, -4.434382500E+01] ) ) # note = "J12/74" ) species(name = "MgO2H2(s)", atoms = " Mg:1 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ -4.166424800E+00, 7.684498700E-02, -1.372076700E-04, 1.142685900E-07, -3.592583700E-11, -1.123843400E+05, 1.359263700E+01] ), NASA( [ 1000.00, 1000.00], [ -4.166424800E+00, 7.684498700E-02, -1.372076700E-04, 1.142685900E-07, -3.592583700E-11, -1.123843400E+05, 1.359263700E+01] ) ) # note = "J12/75" ) species(name = "MgS(s)", atoms = " Mg:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.097287700E+00, 6.929785800E-03, -9.202928600E-06, 5.632933500E-09, -1.217033000E-12, -4.304075900E+04, -1.899600100E+01] ), NASA( [ 1000.00, 3000.00], [ 5.350122900E+00, 1.343365500E-03, -6.290500000E-07, 1.981985800E-10, -2.259164800E-14, -4.323854800E+04, -2.483783100E+01] ) ) # note = "J 9/77" ) species(name = "MgSO4(s)", atoms = " Mg:1 S:1 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.153405900E+00, 4.875653200E-02, -7.366503000E-05, 5.942778700E-08, -1.843370800E-11, -1.568096200E+05, -1.302844400E+01] ), NASA( [ 1000.00, 1400.00], [ -6.447692000E+01, 2.637531700E-01, -3.249188400E-04, 1.825723400E-07, -3.869076700E-11, -1.406610700E+05, 3.218838900E+02] ) ) # note = "L 7/76" ) species(name = "MgSO4(L)", atoms = " Mg:1 S:1 O:4 ", thermo = ( NASA( [ 1400.00, 1000.00], [ 1.912272000E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.609287600E+05, -1.018046500E+02] ), NASA( [ 1000.00, 5000.00], [ 1.912272000E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.609287600E+05, -1.018046500E+02] ) ) # note = "L 7/76" ) species(name = "MgSiO3(I)", atoms = " Mg:1 Si:1 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.337777900E+00, 4.445322200E-02, -6.597375300E-05, 4.741425700E-08, -1.233109800E-11, -1.881722600E+05, -1.017893600E+01] ), NASA( [ 1000.00, 903.00], [ 1.337777900E+00, 4.445322200E-02, -6.597375300E-05, 4.741425700E-08, -1.233109800E-11, -1.881722600E+05, -1.017893600E+01] ) ) # note = "J12/67" ) species(name = "MgSiO3(II)", atoms = " Mg:1 Si:1 O:3 ", thermo = ( NASA( [ 903.00, 1000.00], [ 1.447388600E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.916217200E+05, -7.665946400E+01] ), NASA( [ 1000.00, 1258.00], [ 1.447388600E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.916217200E+05, -7.665946400E+01] ) ) # note = "J12/67" ) species(name = "MgSiO3(III)", atoms = " Mg:1 Si:1 O:3 ", thermo = ( NASA( [ 1258.00, 1000.00], [ 1.472550100E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.917419900E+05, -7.829929800E+01] ), NASA( [ 1000.00, 1850.00], [ 1.472550100E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.917419900E+05, -7.829929800E+01] ) ) # note = "J12/67" ) species(name = "MgSiO3(L)", atoms = " Mg:1 Si:1 O:3 ", thermo = ( NASA( [ 1850.00, 1000.00], [ 1.761303100E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.880257900E+05, -9.512573100E+01] ), NASA( [ 1000.00, 5000.00], [ 1.761303100E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.880257900E+05, -9.512573100E+01] ) ) # note = "J12/67" ) species(name = "MgTiO3(s)", atoms = " Mg:1 Ti:1 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ -1.577774300E-01, 6.201839700E-02, -1.048059600E-04, 8.494092500E-08, -2.636729500E-11, -1.910773800E+05, -4.661653500E+00] ), NASA( [ 1000.00, 1953.00], [ 1.028822400E+01, 1.034373000E-02, -7.401217900E-06, 2.792882400E-09, -3.953244800E-13, -1.928116800E+05, -5.295808800E+01] ) ) # note = "J 6/67" ) species(name = "MgTiO3(L)", atoms = " Mg:1 Ti:1 O:3 ", thermo = ( NASA( [ 1953.00, 1000.00], [ 1.962594900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.909181200E+05, -1.065620400E+02] ), NASA( [ 1000.00, 5000.00], [ 1.962594900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.909181200E+05, -1.065620400E+02] ) ) # note = "J 6/67" ) species(name = "MgTi2O5(s)", atoms = " Mg:1 Ti:2 O:5 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.271631100E+00, 9.266379400E-02, -1.636950200E-04, 1.390337300E-07, -4.451323200E-11, -3.051161300E+05, -1.242210200E+01] ), NASA( [ 1000.00, 1963.00], [ 1.677660800E+01, 1.223779100E-02, -6.301316000E-06, 2.401948800E-09, -3.541293000E-13, -3.075465500E+05, -8.329339000E+01] ) ) # note = "J 6/67" ) species(name = "MgTi2O5(L)", atoms = " Mg:1 Ti:2 O:5 ", thermo = ( NASA( [ 1963.00, 1000.00], [ 3.140151900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.041000100E+05, -1.685864900E+02] ), NASA( [ 1000.00, 5000.00], [ 3.140151900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.041000100E+05, -1.685864900E+02] ) ) # note = "J 6/67" ) species(name = "Mg2SiO4(s)", atoms = " Mg:2 Si:1 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.342898200E+00, 6.686658800E-02, -9.644562500E-05, 6.642396000E-08, -1.718399000E-11, -2.644690100E+05, -1.239916200E+01] ), NASA( [ 1000.00, 2171.00], [ 1.575267900E+01, 6.800465000E-03, -1.620395100E-06, 7.736811200E-12, 6.333757300E-14, -2.672995500E+05, -8.145799200E+01] ) ) # note = "J12/67" ) species(name = "Mg2SiO4(L)", atoms = " Mg:2 Si:1 O:4 ", thermo = ( NASA( [ 2171.00, 1000.00], [ 2.465824400E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.669254900E+05, -1.346151000E+02] ), NASA( [ 1000.00, 5000.00], [ 2.465824400E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.669254900E+05, -1.346151000E+02] ) ) # note = "J12/67" ) species(name = "Mg2TiO4(s)", atoms = " Mg:2 Ti:1 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ -5.044115600E-02, 8.808642400E-02, -1.568378900E-04, 1.340184700E-07, -4.312378700E-11, -2.630786500E+05, -6.253750700E+00] ), NASA( [ 1000.00, 2013.00], [ 1.477257700E+01, 1.082414700E-02, -4.990756000E-06, 1.740794400E-09, -2.539819500E-13, -2.653907800E+05, -7.393371000E+01] ) ) # note = "J 6/67" ) species(name = "Mg2TiO4(L)", atoms = " Mg:2 Ti:1 O:4 ", thermo = ( NASA( [ 2013.00, 1000.00], [ 2.747632900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.615355900E+05, -1.474583700E+02] ), NASA( [ 1000.00, 5000.00], [ 2.747632900E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.615355900E+05, -1.474583700E+02] ) ) # note = "J 6/67" ) species(name = "Mo(cr)", atoms = " Mo:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.328841410E+00, 9.825536890E-03, -2.109298250E-05, 2.095095280E-08, -7.607032440E-12, -6.843647890E+02, -6.292865380E+00] ), NASA( [ 1000.00, 2896.00], [ 5.384328230E+00, -6.016221800E-03, 6.014825260E-06, -2.329623380E-09, 3.520078080E-13, -1.626572200E+03, -2.624888910E+01] ) ) # note = "J 3/78" ) species(name = "Mo(L)", atoms = " Mo:1 ", thermo = ( NASA( [ 2896.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ), NASA( [ 1000.00, 6000.00], [ 4.528949990E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.021406670E+03, -2.280747520E+01] ) ) # note = "J 3/78" ) species(name = "NH4CL(a)", atoms = " N:1 H:4 Cl:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 4.674938300E+00, 1.927342500E-02, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.008275100E+04, -2.095913300E+01] ), NASA( [ 1000.00, 458.00], [ 4.674938300E+00, 1.927342500E-02, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.008275100E+04, -2.095913300E+01] ) ) # note = "BAR 73" ) species(name = "NH4CL(b)", atoms = " N:1 H:4 Cl:1 ", thermo = ( NASA( [ 458.00, 1000.00], [ 4.166685000E+00, 1.343604900E-02, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.876269300E+04, -1.413440200E+01] ), NASA( [ 1000.00, 793.20], [ 4.166685000E+00, 1.343604900E-02, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.876269300E+04, -1.413440200E+01] ) ) # note = "BAR 73" ) species(name = "Na(cr)", atoms = " Na:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.239542420E+00, 2.005621890E-02, -7.364182520E-05, 1.027121490E-07, 0.000000000E+00, -8.133209160E+02, -4.506513910E+00] ), NASA( [ 1000.00, 371.01], [ 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) # note = "CODA89" ) species(name = "Na(L)", atoms = " Na:1 ", thermo = ( NASA( [ 371.01, 1000.00], [ 4.323824190E+00, -1.411454510E-03, -1.310688460E-07, 9.174576790E-10, -2.350650700E-13, -9.365222630E+02, -1.727226380E+01] ), NASA( [ 1000.00, 2300.00], [ 4.598585430E+00, -2.424594060E-03, 1.324537940E-06, -4.123753170E-11, 6.401670810E-15, -9.985355340E+02, -1.862571270E+01] ) ) # note = "CODA89" ) species(name = "NaALO2(a)", atoms = " Na:1 Al:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ -8.050478000E-01, 5.843496800E-02, -1.188441500E-04, 1.197004200E-07, -4.622479300E-11, -1.378166500E+05, -5.333528200E-02] ), NASA( [ 1000.00, 740.00], [ -8.050478000E-01, 5.843496800E-02, -1.188441500E-04, 1.197004200E-07, -4.622479300E-11, -1.378166500E+05, -5.333528200E-02] ) ) # note = "J 3/63" ) species(name = "NaALO2(b)", atoms = " Na:1 Al:1 O:2 ", thermo = ( NASA( [ 740.00, 1000.00], [ 1.054234300E+01, 8.848390700E-04, 1.390676300E-06, -5.139139300E-10, 0.000000000E+00, -1.395806000E+05, -5.237136200E+01] ), NASA( [ 1000.00, 3000.00], [ 1.196621500E+01, -2.281727700E-03, 3.771374100E-06, -1.293267000E-09, 1.413502200E-13, -1.400481800E+05, -6.000645500E+01] ) ) # note = "J 3/63" ) species(name = "NaBr(s)", atoms = " Na:1 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.876646100E+00, 6.831892800E-03, -1.064116300E-05, 9.161392800E-09, -2.881629700E-12, -4.514864400E+04, -1.898254500E+01] ), NASA( [ 1000.00, 1020.00], [ 6.624644800E+00, 1.238298300E-04, 4.099027600E-07, 2.068365100E-10, -1.807648500E-14, -4.556037200E+04, -2.760580000E+01] ) ) # note = "J 9/64" ) species(name = "NaBr(L)", atoms = " Na:1 Br:1 ", thermo = ( NASA( [ 1020.00, 1000.00], [ 7.498119100E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.304977000E+04, -3.017045100E+01] ), NASA( [ 1000.00, 5000.00], [ 7.498119100E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.304977000E+04, -3.017045100E+01] ) ) # note = "J 9/64" ) species(name = "NaCN(s)", atoms = " Na:1 C:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.996773200E+00, 1.915455000E-03, -5.342159100E-06, 6.809164200E-09, -3.141491100E-12, -1.334029400E+04, -3.170393300E+01] ), NASA( [ 1000.00, 835.00], [ 7.996773200E+00, 1.915455000E-03, -5.342159100E-06, 6.809164200E-09, -3.141491100E-12, -1.334029400E+04, -3.170393300E+01] ) ) # note = "J 3/66" ) species(name = "NaCN(L)", atoms = " Na:1 C:1 N:1 ", thermo = ( NASA( [ 835.00, 1000.00], [ 9.561360000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.338640700E+04, -4.028730900E+01] ), NASA( [ 1000.00, 5000.00], [ 9.561360000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.338640700E+04, -4.028730900E+01] ) ) # note = "J 3/66" ) species(name = "NaCL(s)", atoms = " Na:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.024077800E+00, 5.194906600E-03, -7.283373000E-06, 6.067197900E-09, -1.201342400E-12, -5.112333500E+04, -2.122720100E+01] ), NASA( [ 1000.00, 1073.80], [ 2.213492700E+00, 1.585990200E-03, 5.048638300E-06, 2.602054900E-09, -3.648709600E-12, -4.926320300E+04, -2.602566000E+00] ) ) # note = "J 9/64" ) species(name = "NaCL(L)", atoms = " Na:1 Cl:1 ", thermo = ( NASA( [ 1073.80, 1000.00], [ 1.235848800E+01, -6.307120100E-03, 3.200472300E-06, -6.771736200E-10, 5.101561200E-14, -5.142326500E+04, -6.058553000E+01] ), NASA( [ 1000.00, 5000.00], [ 1.235848800E+01, -6.307120100E-03, 3.200472300E-06, -6.771736200E-10, 5.101561200E-14, -5.142326500E+04, -6.058553000E+01] ) ) # note = "J 9/64" ) species(name = "NaF(s)", atoms = " Na:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.697755200E+00, 1.052057200E-02, -1.723565600E-05, 1.412591100E-08, -3.951452900E-12, -7.064718300E+04, -1.739363300E+01] ), NASA( [ 1000.00, 1269.00], [ 7.834202600E+00, -9.483918000E-04, -5.484398600E-06, 8.684302200E-09, -2.928586000E-12, -7.181040500E+04, -3.881571000E+01] ) ) # note = "J12/68" ) species(name = "NaF(L)", atoms = " Na:1 F:1 ", thermo = ( NASA( [ 1269.00, 1000.00], [ 1.096326100E+01, -3.206845900E-03, 1.161166200E-06, -1.629929700E-10, 5.245614100E-15, -7.067394300E+04, -5.637569500E+01] ), NASA( [ 1000.00, 3500.00], [ 1.096326100E+01, -3.206845900E-03, 1.161166200E-06, -1.629929700E-10, 5.245614100E-15, -7.067394300E+04, -5.637569500E+01] ) ) # note = "J12/68" ) species(name = "NaI(s)", atoms = " Na:1 I:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.499598400E+00, 3.566805300E-03, -3.996563000E-06, 3.184107300E-09, -9.530872200E-13, -3.639035600E+04, -2.039925100E+01] ), NASA( [ 1000.00, 933.00], [ 5.499598400E+00, 3.566805300E-03, -3.996563000E-06, 3.184107300E-09, -9.530872200E-13, -3.639035600E+04, -2.039925100E+01] ) ) # note = "J 9/63" ) species(name = "NaI(L)", atoms = " Na:1 I:1 ", thermo = ( NASA( [ 933.00, 1000.00], [ 7.800056800E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.475956800E+04, -3.081888100E+01] ), NASA( [ 1000.00, 5000.00], [ 7.800056800E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.475956800E+04, -3.081888100E+01] ) ) # note = "J 9/63" ) species(name = "NaOH(a)", atoms = " Na:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 8.587949400E+00, -3.540601300E-03, -4.553339400E-05, 1.841848300E-07, -1.501897300E-10, -5.351185100E+04, -3.940758500E+01] ), NASA( [ 1000.00, 596.00], [ 8.587949400E+00, -3.540601300E-03, -4.553339400E-05, 1.841848300E-07, -1.501897300E-10, -5.351185100E+04, -3.940758500E+01] ) ) # note = "J12/70" ) species(name = "NaOH(L)", atoms = " Na:1 O:1 H:1 ", thermo = ( NASA( [ 596.00, 1000.00], [ 9.055677500E+00, 4.302504100E-03, -2.425913200E-06, -3.547966400E-09, 2.688942000E-12, -5.294244500E+04, -4.351514000E+01] ), NASA( [ 1000.00, 2500.00], [ 9.497232100E+00, 2.271797200E-03, -2.397793400E-06, 7.839847700E-10, -8.197647200E-14, -5.290682400E+04, -4.529990000E+01] ) ) # note = "J12/70" ) species(name = "NaO2(s)", atoms = " Na:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 7.279888200E+00, 4.416072100E-03, 1.241392100E-06, -1.292117100E-09, 4.825947900E-13, -3.372656100E+04, -2.889980700E+01] ), NASA( [ 1000.00, 2000.00], [ 6.675317700E+00, 6.423451300E-03, -1.543777300E-06, 6.835777400E-10, -1.107392200E-13, -3.357254600E+04, -2.584860800E+01] ) ) # note = "J 6/63" ) species(name = "Na2CO3(I)", atoms = " Na:2 C:1 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.783565900E+00, 3.882970100E-02, -9.826245500E-05, 1.654308400E-07, -8.329451500E-11, -1.391701000E+05, -3.046329300E+01] ), NASA( [ 1000.00, 723.15], [ 6.783565900E+00, 3.882970100E-02, -9.826245500E-05, 1.654308400E-07, -8.329451500E-11, -1.391701000E+05, -3.046329300E+01] ) ) # note = "J 3/66" ) species(name = "Na2CO3(II)", atoms = " Na:2 C:1 O:3 ", thermo = ( NASA( [ 723.15, 1000.00], [ 1.184834100E+01, -3.513898600E-03, 2.061556900E-05, -7.396517500E-09, 0.000000000E+00, -1.381418700E+05, -4.806436800E+01] ), NASA( [ 1000.00, 1123.15], [ 8.281775500E+00, 1.127538900E-02, 1.996329400E-06, 0.000000000E+00, 0.000000000E+00, -1.376126600E+05, -3.137258000E+01] ) ) # note = "J 3/66" ) species(name = "Na2CO3(L)", atoms = " Na:2 C:1 O:3 ", thermo = ( NASA( [ 1123.15, 1000.00], [ 2.279629500E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.422921800E+05, -1.162212100E+02] ), NASA( [ 1000.00, 5000.00], [ 2.279629500E+01, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.422921800E+05, -1.162212100E+02] ) ) # note = "J 3/66" ) species(name = "Na2O(c)", atoms = " Na:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.265458300E+00, 1.111687200E-02, -6.387538200E-07, -9.699320700E-09, 5.372007100E-12, -5.231434500E+04, -2.418702400E+01] ), NASA( [ 1000.00, 1243.20], [ 2.416895600E+01, -2.527974400E-02, -4.739065800E-06, 3.183638700E-08, -1.457026500E-11, -5.804823600E+04, -1.251806500E+02] ) ) # note = "J 6/68" ) species(name = "Na2O(a)", atoms = " Na:2 O:1 ", thermo = ( NASA( [ 1243.20, 1000.00], [ -1.490659000E+02, 2.279903800E-01, 3.839126800E-05, -1.709991900E-07, 6.139592600E-11, 1.161479500E+04, 8.468926800E+02] ), NASA( [ 1000.00, 1405.20], [ -1.490659000E+02