CSGasData.py
import CSBlockData
global name, ip, comp, awt, nspec, natom, itab, ntab, indx, iprint, gsinit, print0 #/gasp/
global ipr, nch, nel, ntot, nat, zat, neut, idel, indsp, indzat, iat, natsp, iatsp #/gasp2/
ip = CSBlockData.ip
comp = CSBlockData.comp
awt = CSBlockData.awt
name = CSBlockData.name
ipr = CSBlockData.ipr
nch = CSBlockData.nch
nel = CSBlockData.nel
nat = CSBlockData.nat
zat = CSBlockData.zat
logk = [ [0.0e0 for i in range(150)] for j in range(5) ]
logwt = [0.0e0 for i in range(150)]
name[0] = "H"; ipr[0] = 1; nch[0] = 0; nel[0] = 1; nat[0][0] = 1; zat[0][0] = 1; awt[0] = 1.008; comp[0] = 9.32e-01
name[1] = "H+"; ipr[1] = 1; nch[1] = +1; ip[1] = 13.598; logwt[1] = 0.000
name[2] = "H-"; ipr[2] = 1; nch[2] = -1; ip[2] = 0.754; logwt[2] = 0.600
name[3] = "He"; ipr[3] = 2; nch[3] = 0; nel[3] = 1; nat[0][3] = 1; zat[0][3] = 2; awt[3] = 4.003; comp[1] = 6.53e-02
name[4] = "He+"; ipr[4] = 2; nch[4] = +1; ip[4] = 24.587; logwt[4] = 0.600
name[5] = "C"; ipr[5] = 1; nch[5] = 0; nel[5] = 1; nat[0][5] = 1; zat[0][5] = 6; awt[5] = 12.011; comp[2] = 4.94e-04
name[6] = "C+"; ipr[6] = 1; nch[6] = +1; ip[6] = 11.260; logwt[6] = 0.100
name[7] = "N"; ipr[7] = 1; nch[7] = 0; nel[7] = 1; nat[0][7] = 1; zat[0][7] = 7; awt[7] = 14.007; comp[3] = 8.95e-04
name[8] = "N+"; ipr[8] = 1; nch[8] = +1; ip[8] = 14.534; logwt[8] = 0.650
name[9] = "O"; ipr[9] = 1; nch[9] = 0; nel[9] = 1; nat[0][9] = 1; zat[0][9] = 8; awt[9] = 16.000; comp[4] = 8.48e-04
name[10] = "O+"; ipr[10] = 1; nch[10] = +1; ip[10] = 13.618; logwt[10] = -0.050
name[11] = "Ne"; ipr[11] = 2; nch[11] = 0; nel[11] = 1; nat[0][11] = 1; zat[0][11] = 10; awt[11] = 20.179; comp[5] = 7.74e-05
name[12] = "Ne+"; ipr[12] = 2; nch[12] = +1; ip[12] = 21.564; logwt[12] = 1.080
name[13] = "Na"; ipr[13] = 2; nch[13] = 0; nel[13] = 1; nat[0][13] = 1; zat[0][13] = 11; awt[13] = 22.990; comp[6] = 1.68e-06
name[14] = "Na+"; ipr[14] = 2; nch[14] = +1; ip[14] = 5.139; logwt[14] = 0.000
name[15] = "Mg"; ipr[15] = 2; nch[15] = 0; nel[15] = 1; nat[0][15] = 1; zat[0][15] = 12; awt[15] = 24.305; comp[7] = 2.42e-05
name[16] = "Mg+"; ipr[16] = 2; nch[16] = +1; ip[16] = 7.644; logwt[16] = 0.600
name[17] = "Mg++"; ipr[17] = 2; nch[17] = +2; ip[17] = 15.031; logwt[17] = 0.000
name[18] = "Al"; ipr[18] = 2; nch[18] = 0; nel[18] = 1; nat[0][18] = 1; zat[0][18] = 13; awt[18] = 26.982; comp[8] = 2.24e-06
name[19] = "Al+"; ipr[19] = 2; nch[19] = +1; ip[19] = 5.984; logwt[19] = -0.480
name[20] = "Si"; ipr[20] = 1; nch[20] = 0; nel[20] = 1; nat[0][20] = 1; zat[0][20] = 14; awt[20] = 28.086; comp[9] = 3.08e-05
name[21] = "Si+"; ipr[21] = 1; nch[21] = +1; ip[21] = 8.149; logwt[21] = 0.120
name[22] = "S"; ipr[22] = 1; nch[22] = 0; nel[22] = 1; nat[0][22] = 1; zat[0][22] = 16; awt[22] = 32.060; comp[10] = 1.49e-05
name[23] = "S+"; ipr[23] = 1; nch[23] = +1; ip[23] = 10.360; logwt[23] = -0.050
name[24] = "Cl"; ipr[24] = 3; nch[24] = 0; nel[24] = 1; nat[0][24] = 1; zat[0][24] = 17; awt[24] = 35.453; comp[11] = 3.73e-07
name[25] = "Cl-"; ipr[25] = 3; nch[25] = -1; ip[25] = 3.613; logwt[25] = 1.080
name[26] = "K"; ipr[26] = 2; nch[26] = 0; nel[26] = 1; nat[0][26] = 1; zat[0][26] = 19; awt[26] = 39.102; comp[12] = 8.30e-08
name[27] = "K+"; ipr[27] = 2; nch[27] = +1; ip[27] = 4.339; logwt[27] = 0.000
name[28] = "Ca"; ipr[28] = 2; nch[28] = 0; nel[28] = 1; nat[0][28] = 1; zat[0][28] = 20; awt[28] = 40.080; comp[13] = 1.86e-06
name[29] = "Ca+"; ipr[29] = 2; nch[29] = +1; ip[29] = 6.111; logwt[29] = 0.600
name[30] = "Ca++"; ipr[30] = 2; nch[30] = +2; ip[30] = 11.868; logwt[30] = 0.000
name[31] = "Sc"; ipr[31] = 3; nch[31] = 0; nel[31] = 1; nat[0][31] = 1; zat[0][31] = 21; awt[31] = 44.956; comp[14] = 1.49e-09
name[32] = "Sc+"; ipr[32] = 3; nch[32] = +1; ip[32] = 6.540; logwt[32] = 0.480
name[33] = "Ti"; ipr[33] = 3; nch[33] = 0; nel[33] = 1; nat[0][33] = 1; zat[0][33] = 22; awt[33] = 47.900; comp[15] = 1.21e-07
name[34] = "Ti+"; ipr[34] = 3; nch[34] = +1; ip[34] = 6.820; logwt[34] = 0.430
name[35] = "V"; ipr[35] = 3; nch[35] = 0; nel[35] = 1; nat[0][35] = 1; zat[0][35] = 23; awt[35] = 50.941; comp[16] = 2.33e-08
name[36] = "V+"; ipr[36] = 3; nch[36] = +1; ip[36] = 6.740; logwt[36] = 0.250
name[37] = "Cr"; ipr[37] = 3; nch[37] = 0; nel[37] = 1; nat[0][37] = 1; zat[0][37] = 24; awt[37] = 51.996; comp[17] = 6.62e-07
name[38] = "Cr+"; ipr[38] = 3; nch[38] = +1; ip[38] = 6.766; logwt[38] = 0.230
name[39] = "Mn"; ipr[39] = 3; nch[39] = 0; nel[39] = 1; nat[0][39] = 1; zat[0][39] = 25; awt[39] = 54.938; comp[18] = 2.33e-07
name[40] = "Mn+"; ipr[40] = 3; nch[40] = +1; ip[40] = 7.435; logwt[40] = 0.370
name[41] = "Fe"; ipr[41] = 2; nch[41] = 0; nel[41] = 1; nat[0][41] = 1; zat[0][41] = 26; awt[41] = 55.847; comp[19] = 3.73e-05
name[42] = "Fe+"; ipr[42] = 2; nch[42] = +1; ip[42] = 7.870; logwt[42] = 0.380
name[43] = "Co"; ipr[43] = 3; nch[43] = 0; nel[43] = 1; nat[0][43] = 1; zat[0][43] = 27; awt[43] = 58.933; comp[20] = 1.12e-07
name[44] = "Co+"; ipr[44] = 3; nch[44] = +1; ip[44] = 7.860; logwt[44] = 0.180
name[45] = "Ni"; ipr[45] = 2; nch[45] = 0; nel[45] = 1; nat[0][45] = 1; zat[0][45] = 28; awt[45] = 58.710; comp[21] = 1.86e-06
name[46] = "Ni+"; ipr[46] = 2; nch[46] = +1; ip[46] = 7.635; logwt[46] = -0.020
name[47] = "Sr"; ipr[47] = 3; nch[47] = 0; nel[47] = 1; nat[0][47] = 1; zat[0][47] = 38; awt[47] = 87.620; comp[22] = 6.62e-10
name[48] = "Sr+"; ipr[48] = 3; nch[48] = +1; ip[48] = 5.695; logwt[48] = 0.500
name[49] = "Y"; ipr[49] = 3; nch[49] = 0; nel[49] = 1; nat[0][49] = 1; zat[0][49] = 39; awt[49] = 88.906; comp[23] = 5.87e-11
name[50] = "Y+"; ipr[50] = 3; nch[50] = +1; ip[50] = 6.380; logwt[50] = 0.500
name[51] = "Zr"; ipr[51] = 3; nch[51] = 0; nel[51] = 1; nat[0][51] = 1; zat[0][51] = 40; awt[51] = 91.220; comp[24] = 2.98e-10
name[52] = "Zr+"; ipr[52] = 3; nch[52] = +1; ip[52] = 6.840; logwt[52] = 0.420
name[53] = "H2"; ipr[53] = 1; nch[53] = 0; nel[53] = 1; nat[0][53] = 2; zat[0][53] = 1; logk[0][53] = 12.739; logk[1][53] = -5.1172; logk[2][53] = 0.12572; logk[3][53] = -1.4149e-02; logk[4][53] = 6.3021e-04
name[54] = "H2+"; ipr[54] = 1; nch[54] = +1; ip[54] = 15.422; logwt[54] = 0.600
name[55] = "C2"; ipr[55] = 1; nch[55] = 0; nel[55] = 1; nat[0][55] = 2; zat[0][55] = 6; logk[0][55] = 12.804; logk[1][55] = -6.5178; logk[2][55] = .097719; logk[3][55] = -1.2739e-02; logk[4][55] = 6.2603e-04
name[56] = "C3"; ipr[56] = 1; nch[56] = 0; nel[56] = 1; nat[0][56] = 3; zat[0][56] = 6; logk[0][56] = 25.230; logk[1][56] = -14.445; logk[2][56] = 0.12547; logk[3][56] = -1.7390e-02; logk[4][56] = 8.8594e-04
name[57] = "N2"; ipr[57] = 1; nch[57] = 0; nel[57] = 1; nat[0][57] = 2; zat[0][57] = 7; logk[0][57] = 13.590; logk[1][57] = -10.585; logk[2][57] = 0.22067; logk[3][57] = -2.9997e-02; logk[4][57] = 1.4993e-03
name[58] = "O2"; ipr[58] = 1; nch[58] = 0; nel[58] = 1; nat[0][58] = 2; zat[0][58] = 8; logk[0][58] = 13.228; logk[1][58] = -5.5181; logk[2][58] = .069935; logk[3][58] = -8.1511e-03; logk[4][58] = 3.7970e-04
name[59] = "CH"; ipr[59] = 1; nch[59] = 0; nel[59] = 2; nat[0][59] = 1; zat[0][59] = 6; nat[1][59] = 1; zat[1][59] = 1; nat[2][59] = 0; zat[2][59] = 0; logk[0][59] = 12.135; logk[1][59] = -4.0760; logk[2][59] = 0.12768; logk[3][59] = -1.5473e-02; logk[4][59] = 7.2661e-04
name[60] = "C2H2"; ipr[60] = 1; nch[60] = 0; nel[60] = 2; nat[0][60] = 2; zat[0][60] = 6; nat[1][60] = 2; zat[1][60] = 1; nat[2][60] = 0; zat[2][60] = 0; logk[0][60] = 38.184; logk[1][60] = -17.365; logk[2][60] = .021512; logk[3][60] = -8.8961e-05; logk[4][60] = -2.8720e-05
name[61] = "NH"; ipr[61] = 1; nch[61] = 0; nel[61] = 2; nat[0][61] = 1; zat[0][61] = 7; nat[1][61] = 1; zat[1][61] = 1; nat[2][61] = 0; zat[2][61] = 0; logk[0][61] = 12.033; logk[1][61] = -3.8435; logk[2][61] = 0.13629; logk[3][61] = -1.6643e-02; logk[4][61] = 7.8691e-04
name[62] = "NH2"; ipr[62] = 1; nch[62] = 0; nel[62] = 2; nat[0][62] = 1; zat[0][62] = 7; nat[1][62] = 2; zat[1][62] = 1; nat[2][62] = 0; zat[2][62] = 0; logk[0][62] = 24.603; logk[1][62] = -8.6300; logk[2][62] = 0.20048; logk[3][62] = -2.4124e-02; logk[4][62] = 1.1484e-03
name[63] = "NH3"; ipr[63] = 1; nch[63] = 0; nel[63] = 2; nat[0][63] = 1; zat[0][63] = 7; nat[1][63] = 3; zat[1][63] = 1; nat[2][63] = 0; zat[2][63] = 0; logk[0][63] = 37.554; logk[1][63] = -13.059; logk[2][63] = 0.12910; logk[3][63] = -1.2338e-02; logk[4][63] = 5.3429e-04
name[64] = "OH"; ipr[64] = 1; nch[64] = 0; nel[64] = 2; nat[0][64] = 1; zat[0][64] = 8; nat[1][64] = 1; zat[1][64] = 1; nat[2][64] = 0; zat[2][64] = 0; logk[0][64] = 12.371; logk[1][64] = -5.0578; logk[2][64] = 0.13822; logk[3][64] = -1.6547e-02; logk[4][64] = 7.7224e-04
name[65] = "H2O"; ipr[65] = 1; nch[65] = 0; nel[65] = 2; nat[0][65] = 1; zat[0][65] = 8; nat[1][65] = 2; zat[1][65] = 1; nat[2][65] = 0; zat[2][65] = 0; logk[0][65] = 25.420; logk[1][65] = -10.522; logk[2][65] = 0.16939; logk[3][65] = -1.8368e-02; logk[4][65] = 8.1730e-04
name[66] = "MgH"; ipr[66] = 2; nch[66] = 0; nel[66] = 2; nat[0][66] = 1; zat[0][66] = 12; nat[1][66] = 1; zat[1][66] = 1; nat[2][66] = 0; zat[2][66] = 0; logk[0][66] = 11.285; logk[1][66] = -2.7164; logk[2][66] = 0.19658; logk[3][66] = -2.7310e-02; logk[4][66] = 1.3816e-03
name[67] = "AlH"; ipr[67] = 2; nch[67] = 0; nel[67] = 2; nat[0][67] = 1; zat[0][67] = 13; nat[1][67] = 1; zat[1][67] = 1; nat[2][67] = 0; zat[2][67] = 0; logk[0][67] = 12.191; logk[1][67] = -3.7636; logk[2][67] = 0.25557; logk[3][67] = -3.7261e-02; logk[4][67] = 1.9406e-03
name[68] = "SiH"; ipr[68] = 1; nch[68] = 0; nel[68] = 2; nat[0][68] = 1; zat[0][68] = 14; nat[1][68] = 1; zat[1][68] = 1; nat[2][68] = 0; zat[2][68] = 0; logk[0][68] = 11.852; logk[1][68] = -3.7418; logk[2][68] = 0.15999; logk[3][68] = -2.0629e-02; logk[4][68] = 9.9897e-04
name[69] = "HS"; ipr[69] = 1; nch[69] = 0; nel[69] = 2; nat[0][69] = 1; zat[0][69] = 16; nat[1][69] = 1; zat[1][69] = 1; nat[2][69] = 0; zat[2][69] = 0; logk[0][69] = 12.019; logk[1][69] = -4.2922; logk[2][69] = 0.14913; logk[3][69] = -1.8666e-02; logk[4][69] = 8.9438e-04
name[70] = "H2S"; ipr[70] = 1; nch[70] = 0; nel[70] = 2; nat[0][70] = 1; zat[0][70] = 16; nat[1][70] = 2; zat[1][70] = 1; nat[2][70] = 0; zat[2][70] = 0; logk[0][70] = 24.632; logk[1][70] = -8.4616; logk[2][70] = 0.17014; logk[3][70] = -2.0236e-02; logk[4][70] = 9.5782e-04
name[71] = "HCl"; ipr[71] = 3; nch[71] = 0; nel[71] = 2; nat[0][71] = 1; zat[0][71] = 17; nat[1][71] = 1; zat[1][71] = 1; nat[2][71] = 0; zat[2][71] = 0; logk[0][71] = 12.528; logk[1][71] = -5.1827; logk[2][71] = 0.18117; logk[3][71] = -2.4014e-02; logk[4][71] = 1.1994e-03
name[72] = "CaH"; ipr[72] = 3; nch[72] = 0; nel[72] = 2; nat[0][72] = 1; zat[0][72] = 20; nat[1][72] = 1; zat[1][72] = 1; nat[2][72] = 0; zat[2][72] = 0; logk[0][72] = 11.340; logk[1][72] = -3.0144; logk[2][72] = 0.42349; logk[3][72] = -6.1467e-02; logk[4][72] = 3.1639e-03
name[73] = "CN"; ipr[73] = 1; nch[73] = 0; nel[73] = 2; nat[0][73] = 1; zat[0][73] = 7; nat[1][73] = 1; zat[1][73] = 6; nat[2][73] = 0; zat[2][73] = 0; logk[0][73] = 12.805; logk[1][73] = -8.2793; logk[2][73] = .064162; logk[3][73] = -7.3627e-03; logk[4][73] = 3.4666e-04
name[74] = "NO"; ipr[74] = 1; nch[74] = 0; nel[74] = 2; nat[0][74] = 1; zat[0][74] = 8; nat[1][74] = 1; zat[1][74] = 7; nat[2][74] = 0; zat[2][74] = 0; logk[0][74] = 12.831; logk[1][74] = -7.1964; logk[2][74] = 0.17349; logk[3][74] = -2.3065e-02; logk[4][74] = 1.1380e-03
name[75] = "CO"; ipr[75] = 1; nch[75] = 0; nel[75] = 2; nat[0][75] = 1; zat[0][75] = 8; nat[1][75] = 1; zat[1][75] = 6; nat[2][75] = 0; zat[2][75] = 0; logk[0][75] = 13.820; logk[1][75] = -11.795; logk[2][75] = 0.17217; logk[3][75] = -2.2888e-02; logk[4][75] = 1.1349e-03
name[76] = "CO2"; ipr[76] = 1; nch[76] = 0; nel[76] = 2; nat[0][76] = 2; zat[0][76] = 8; nat[1][76] = 1; zat[1][76] = 6; nat[2][76] = 0; zat[2][76] = 0; logk[0][76] = 27.478; logk[1][76] = -17.098; logk[2][76] = .095012; logk[3][76] = -1.2579e-02; logk[4][76] = 6.4058e-04
name[77] = "MgO"; ipr[77] = 3; nch[77] = 0; nel[77] = 2; nat[0][77] = 1; zat[0][77] = 12; nat[1][77] = 1; zat[1][77] = 8; nat[2][77] = 0; zat[2][77] = 0; logk[0][77] = 11.702; logk[1][77] = -5.0326; logk[2][77] = 0.29641; logk[3][77] = -4.2811e-02; logk[4][77] = 2.2023e-03
name[78] = "AlO"; ipr[78] = 2; nch[78] = 0; nel[78] = 2; nat[0][78] = 1; zat[0][78] = 13; nat[1][78] = 1; zat[1][78] = 8; nat[2][78] = 0; zat[2][78] = 0; logk[0][78] = 12.739; logk[1][78] = -5.2534; logk[2][78] = 0.18218; logk[3][78] = -2.5793e-02; logk[4][78] = 1.3185e-03
name[79] = "SiO"; ipr[79] = 1; nch[79] = 0; nel[79] = 2; nat[0][79] = 1; zat[0][79] = 14; nat[1][79] = 1; zat[1][79] = 8; nat[2][79] = 0; zat[2][79] = 0; logk[0][79] = 13.413; logk[1][79] = -8.8710; logk[2][79] = 0.15042; logk[3][79] = -1.9581e-02; logk[4][79] = 9.4828e-04
name[80] = "SO"; ipr[80] = 1; nch[80] = 0; nel[80] = 2; nat[0][80] = 1; zat[0][80] = 16; nat[1][80] = 1; zat[1][80] = 8; nat[2][80] = 0; zat[2][80] = 0; logk[0][80] = 12.929; logk[1][80] = -6.0100; logk[2][80] = 0.16253; logk[3][80] = -2.1665e-02; logk[4][80] = 1.0676e-03
name[81] = "CaO"; ipr[81] = 2; nch[81] = 0; nel[81] = 2; nat[0][81] = 1; zat[0][81] = 20; nat[1][81] = 1; zat[1][81] = 8; nat[2][81] = 0; zat[2][81] = 0; logk[0][81] = 12.260; logk[1][81] = -6.0525; logk[2][81] = 0.58284; logk[3][81] = -8.5805e-02; logk[4][81] = 4.4425e-03
name[82] = "ScO"; ipr[82] = 3; nch[82] = 0; nel[82] = 2; nat[0][82] = 1; zat[0][82] = 21; nat[1][82] = 1; zat[1][82] = 8; nat[2][82] = 0; zat[2][82] = 0; logk[0][82] = 13.747; logk[1][82] = -8.6420; logk[2][82] = 0.48072; logk[3][82] = -6.9670e-02; logk[4][82] = 3.5747e-03
name[83] = "ScO2"; ipr[83] = 3; nch[83] = 0; nel[83] = 2; nat[0][83] = 1; zat[0][83] = 21; nat[1][83] = 2; zat[1][83] = 8; nat[2][83] = 0; zat[2][83] = 0; logk[0][83] = 26.909; logk[1][83] = -15.824; logk[2][83] = 0.39999; logk[3][83] = -5.9363e-02; logk[4][83] = 3.0875e-03
name[84] = "TiO"; ipr[84] = 2; nch[84] = 0; nel[84] = 2; nat[0][84] = 1; zat[0][84] = 22; nat[1][84] = 1; zat[1][84] = 8; nat[2][84] = 0; zat[2][84] = 0; logk[0][84] = 13.398; logk[1][84] = -8.5956; logk[2][84] = 0.40873; logk[3][84] = -5.7937e-02; logk[4][84] = 2.9287e-03
name[85] = "VO"; ipr[85] = 3; nch[85] = 0; nel[85] = 2; nat[0][85] = 1; zat[0][85] = 23; nat[1][85] = 1; zat[1][85] = 8; nat[2][85] = 0; zat[2][85] = 0; logk[0][85] = 13.811; logk[1][85] = -7.7520; logk[2][85] = 0.37056; logk[3][85] = -5.1467e-02; logk[4][85] = 2.5861e-03
name[86] = "VO2"; ipr[86] = 3; nch[86] = 0; nel[86] = 2; nat[0][86] = 1; zat[0][86] = 23; nat[1][86] = 2; zat[1][86] = 8; nat[2][86] = 0; zat[2][86] = 0; logk[0][86] = 27.754; logk[1][86] = -14.040; logk[2][86] = 0.33613; logk[3][86] = -4.8215e-02; logk[4][86] = 2.4780e-03
name[87] = "YO"; ipr[87] = 3; nch[87] = 0; nel[87] = 2; nat[0][87] = 1; zat[0][87] = 39; nat[1][87] = 1; zat[1][87] = 8; nat[2][87] = 0; zat[2][87] = 0; logk[0][87] = 13.514; logk[1][87] = -8.7775; logk[2][87] = 0.40700; logk[3][87] = -5.8053e-02; logk[4][87] = 2.9535e-03
name[88] = "YO2"; ipr[88] = 3; nch[88] = 0; nel[88] = 2; nat[0][88] = 1; zat[0][88] = 39; nat[1][88] = 2; zat[1][88] = 8; nat[2][88] = 0; zat[2][88] = 0; logk[0][88] = 26.764; logk[1][88] = -16.447; logk[2][88] = 0.39991; logk[3][88] = -5.8916e-02; logk[4][88] = 3.0506e-03
name[89] = "ZrO"; ipr[89] = 3; nch[89] = 0; nel[89] = 2; nat[0][89] = 1; zat[0][89] = 40; nat[1][89] = 1; zat[1][89] = 8; nat[2][89] = 0; zat[2][89] = 0; logk[0][89] = 13.296; logk[1][89] = -9.0129; logk[2][89] = 0.19562; logk[3][89] = -2.9892e-02; logk[4][89] = 1.6010e-03
name[90] = "ZrO2"; ipr[90] = 3; nch[90] = 0; nel[90] = 2; nat[0][90] = 1; zat[0][90] = 40; nat[1][90] = 2; zat[1][90] = 8; nat[2][90] = 0; zat[2][90] = 0; logk[0][90] = 26.793; logk[1][90] = -16.151; logk[2][90] = 0.46988; logk[3][90] = -6.4636e-02; logk[4][90] = 3.2277e-03
name[91] = "CS"; ipr[91] = 1; nch[91] = 0; nel[91] = 2; nat[0][91] = 1; zat[0][91] = 16; nat[1][91] = 1; zat[1][91] = 6; nat[2][91] = 0; zat[2][91] = 0; logk[0][91] = 13.436; logk[1][91] = -8.5574; logk[2][91] = 0.18754; logk[3][91] = -2.5507e-02; logk[4][91] = 1.2735e-03
name[92] = "SiS"; ipr[92] = 1; nch[92] = 0; nel[92] = 2; nat[0][92] = 1; zat[0][92] = 14; nat[1][92] = 1; zat[1][92] = 16; nat[2][92] = 0; zat[2][92] = 0; logk[0][92] = 13.182; logk[1][92] = -7.1147; logk[2][92] = 0.19300; logk[3][92] = -2.5826e-02; logk[4][92] = 1.2648e-03
name[93] = "TiS"; ipr[93] = 2; nch[93] = 0; nel[93] = 2; nat[0][93] = 1; zat[0][93] = 22; nat[1][93] = 1; zat[1][93] = 16; nat[2][93] = 0; zat[2][93] = 0; logk[0][93] = 13.316; logk[1][93] = -6.2216; logk[2][93] = 0.45829; logk[3][93] = -6.4903e-02; logk[4][93] = 3.2788e-03
name[94] = "SiC"; ipr[94] = 1; nch[94] = 0; nel[94] = 2; nat[0][94] = 1; zat[0][94] = 14; nat[1][94] = 1; zat[1][94] = 6; nat[2][94] = 0; zat[2][94] = 0; logk[0][94] = 12.327; logk[1][94] = -5.0419; logk[2][94] = 0.13941; logk[3][94] = -1.9363e-02; logk[4][94] = 9.6202e-04
name[95] = "SiC2"; ipr[95] = 1; nch[95] = 0; nel[95] = 2; nat[0][95] = 1; zat[0][95] = 14; nat[1][95] = 2; zat[1][95] = 6; nat[2][95] = 0; zat[2][95] = 0; logk[0][95] = 25.623; logk[1][95] = -13.085; logk[2][95] = -.055227; logk[3][95] = 9.3363e-03; logk[4][95] = -4.9876e-04
name[96] = "NaCl"; ipr[96] = 2; nch[96] = 0; nel[96] = 2; nat[0][96] = 1; zat[0][96] = 11; nat[1][96] = 1; zat[1][96] = 17; nat[2][96] = 0; zat[2][96] = 0; logk[0][96] = 11.768; logk[1][96] = -4.9884; logk[2][96] = 0.23975; logk[3][96] = -3.4837e-02; logk[4][96] = 1.8034e-03
name[97] = "MgCl"; ipr[97] = 2; nch[97] = 0; nel[97] = 2; nat[0][97] = 1; zat[0][97] = 12; nat[1][97] = 1; zat[1][97] = 17; nat[2][97] = 0; zat[2][97] = 0; logk[0][97] = 11.318; logk[1][97] = -4.2224; logk[2][97] = 0.21137; logk[3][97] = -3.0174e-02; logk[4][97] = 1.5480e-03
name[98] = "AlCl"; ipr[98] = 2; nch[98] = 0; nel[98] = 2; nat[0][98] = 1; zat[0][98] = 13; nat[1][98] = 1; zat[1][98] = 17; nat[2][98] = 0; zat[2][98] = 0; logk[0][98] = 11.976; logk[1][98] = -5.2228; logk[2][98] = -.010263; logk[3][98] = 3.9344e-03; logk[4][98] = -2.6236e-04
name[99] = "CaCl"; ipr[99] = 2; nch[99] = 0; nel[99] = 2; nat[0][99] = 1; zat[0][99] = 20; nat[1][99] = 1; zat[1][99] = 17; nat[2][99] = 0; zat[2][99] = 0; logk[0][99] = 12.314; logk[1][99] = -5.1814; logk[2][99] = 0.56532; logk[3][99] = -8.2868e-02; logk[4][99] = 4.2822e-03
name[100] = "HCN"; ipr[100] = 1; nch[100] = 0; nel[100] = 3; nat[0][100] = 1; zat[0][100] = 7; nat[1][100] = 1; zat[1][100] = 6; nat[2][100] = 1; zat[2][100] = 1; logk[0][100] = 25.635; logk[1][100] = -13.833; logk[2][100] = 0.13827; logk[3][100] = -1.8122e-02; logk[4][100] = 9.1645e-04
name[101] = "HCO"; ipr[101] = 1; nch[101] = 0; nel[101] = 3; nat[0][101] = 1; zat[0][101] = 8; nat[1][101] = 1; zat[1][101] = 6; nat[2][101] = 1; zat[2][101] = 1; logk[0][101] = 25.363; logk[1][101] = -13.213; logk[2][101] = 0.18451; logk[3][101] = -2.2973e-02; logk[4][101] = 1.1114e-03
name[102] = "MgOH"; ipr[102] = 2; nch[102] = 0; nel[102] = 3; nat[0][102] = 1; zat[0][102] = 12; nat[1][102] = 1; zat[1][102] = 8; nat[2][102] = 1; zat[2][102] = 1; logk[0][102] = 24.551; logk[1][102] = -9.3818; logk[2][102] = 0.19666; logk[3][102] = -2.7178e-02; logk[4][102] = 1.3887e-03
name[103] = "AlOH"; ipr[103] = 2; nch[103] = 0; nel[103] = 3; nat[0][103] = 1; zat[0][103] = 13; nat[1][103] = 1; zat[1][103] = 8; nat[2][103] = 1; zat[2][103] = 1; logk[0][103] = 25.707; logk[1][103] = -10.624; logk[2][103] = .097901; logk[3][103] = -1.1835e-02; logk[4][103] = 5.8121e-04
name[104] = "CaOH"; ipr[104] = 2; nch[104] = 0; nel[104] = 3; nat[0][104] = 1; zat[0][104] = 20; nat[1][104] = 1; zat[1][104] = 8; nat[2][104] = 1; zat[2][104] = 1; logk[0][104] = 24.611; logk[1][104] = -10.910; logk[2][104] = 0.60803; logk[3][104] = -8.7197e-02; logk[4][104] = 4.4736e-03