aluminum,cr Al need abbrev Al(1) JA98 13.Aug.24 0.0 0.0 6.758 need vol -9.055083 8.903442 -3.409311 276.329051 1200.00 aluminum bromid,cr AlBr3 need abbrev Al(1)Br(3) JA98 13.Aug.24 -116757.9 -122200.0 43.073 0.0 13.018372 3.979002 -14.447790 449.288348 1500.00 aluminum chlori,cr OAlCl need abbrev Al(1)Cl(1)O(1) JA98 13.Aug.24 -176203.4 -189599.9 13.000 0.0 27.415741 -1.320551 -0.338460 -225.257520 1800.00 aluminum chlori,cr AlCl3 need abbrev Al(1)Cl(3) JA98 13.Aug.24 -150577.9 -168650.1 26.120 0.0 15.516042 21.001064 -0.002213 0.096975 1500.00 potassium tetra,cr KAlCl4 need abbrev Al(1)Cl(4)K(1) JA98 13.Aug.24 -261596.8 -286000.0 47.000 0.0 101.192515 -12.642923 14.372964 -1315.028053 1000.00 sodium tetrachl,cr NaAlCl4 need abbrev Al(1)Cl(4)Na(1) JA98 13.Aug.24 -248942.2 -273000.0 45.000 0.0 93.678403 -11.181727 11.137995 -1137.198346 1000.00 potassium hexac,cr K3AlCl6 need abbrev Al(1)Cl(6)K(3) JA98 13.Aug.24 -463303.8 -500000.0 90.000 0.0 102.120678 0.634999 10.756226 -947.021287 1800.00 sodium hexachlo,cr Na3AlCl6 need abbrev Al(1)Cl(6)Na(3) JA98 13.Aug.24 -437042.1 -473000.0 83.000 0.0 91.375249 2.845965 7.597379 -731.638732 1800.00 aluminum fluori,cr AlF3 need abbrev Al(1)F(3) JA98 13.Aug.24 -342046.6 -361000.0 15.890 0.0 18.288553 2.353734 -8.782432 149.928352 1800.00 potassium hexaf,cr K3AlF6 need abbrev Al(1)F(6)K(3) JA98 13.Aug.24 -756082.0 -795000.0 68.000 0.0 120.766849 -4.629629 13.941345 -1410.470248 1800.00 lithium hexaflu,cr Li3AlF6 need abbrev Al(1)F(6)Li(3) JA98 13.Aug.24 -770504.3 -808700.0 44.907 0.0 41.661072 25.946635 -11.709327 209.331792 1600.00 cryolite, alpha,cr Na3AlF6 need abbrev Al(1)F(6)Na(3) JA98 13.Aug.24 -753386.2 -792760.0 56.995 0.0 28.449441 37.581110 -6.852931 339.449347 1200.00 cryolite, beta,cr Na3AlF6 need abbrev Al(1)F(6)Na(3) JA98 13.Aug.24 -749971.3 -786037.5 68.088 0.0 29.384625 38.691937 4.891058 2.036129 1500.00 lithium tetrahy,cr LiAlH4 need abbrev Al(1)H(4)Li(1) JA98 13.Aug.24 -11549.5 -28000.0 21.000 0.0 46.439963 -3.230912 2.953173 -486.235075 1800.00 aluminum iodide,cr AlI3 need abbrev Al(1)I(3) JA98 13.Aug.24 -71945.0 -72400.1 46.870 0.0 47.942929 -4.574732 -0.000094 -397.130621 1500.00 lithium aluminu,cr LiAlO2 need abbrev Al(1)Li(1)O(2) JA98 13.Aug.24 -269192.9 -284099.9 12.742 0.0 22.087510 2.898366 -5.993553 -0.213628 1800.00 aluminum nitrid,cr AlN need abbrev Al(1)N(1) JA98 13.Aug.24 -68593.5 -76000.0 4.814 0.0 17.368069 -0.895477 -1.061696 -150.624899 1800.00 sodium aluminum,cr NaAlO2 need abbrev Al(1)Na(1)O(2) JA98 13.Aug.24 -255556.4 -270840.1 16.826 0.0 19.996166 3.871977 -5.251800 39.474365 1800.00 beryllium alumi,cr BeAl2O4 need abbrev Al(2)Be(1)O(4) JA98 13.Aug.24 -520684.0 -549900.1 15.844 0.0 44.335879 3.420988 -9.390975 -167.320926 1800.00 potassium alumi,cr K3Al2Cl9 need abbrev Al(2)Cl(9)K(3) JA98 13.Aug.24 -627603.5 -683599.9 112.000 0.0 36.440424 37.422512 -16.060871 878.972928 1500.00 magnesium alumi,cr MgAl2O4 need abbrev Al(2)Mg(1)O(4) JA98 13.Aug.24 -520224.9 -549500.0 21.198 0.0 35.212802 8.469805 -8.703030 -3.530313 1800.00 aluminum oxide,,cr Al2O3 need abbrev Al(2)O(3) JA98 13.Aug.24 -378172.8 -400500.0 12.177 0.0 36.401745 0.530619 -5.025763 -207.974630 1800.00 aluminum oxide,,cr Al2O3 need abbrev Al(2)O(3) JA98 13.Aug.24 -375949.8 -398300.0 12.100 0.0 37.494234 0.546414 -5.176426 -214.223114 1800.00 aluminum oxide,,cr Al2O3 need abbrev Al(2)O(3) JA98 13.Aug.24 -373769.1 -396000.0 12.500 0.0 38.110504 0.556084 -5.262893 -217.696578 1800.00 aluminum oxide,,cr Al2O3 need abbrev Al(2)O(3) JA98 13.Aug.24 -375158.5 -397300.0 12.800 0.0 37.204366 0.541838 -5.135499 -212.593883 1800.00 aluminum silica,cr Al2SiO5 need abbrev Al(2)O(5)Si(1) JA98 13.Aug.24 -584245.2 -619520.1 22.280 0.0 46.132899 4.697551 -10.754189 -106.217883 1800.00 aluminum silica,cr Al2SiO5 need abbrev Al(2)O(5)Si(1) JA98 13.Aug.24 -584115.0 -620060.0 20.032 0.0 50.857168 3.705052 -9.647450 -208.937446 1800.00 aluminum silica,cr Al2SiO5 need abbrev Al(2)O(5)Si(1) JA98 13.Aug.24 -583746.2 -618810.0 22.987 0.0 45.050025 5.795064 -9.875966 -112.677805 1800.00 aluminum sulfid,cr Al2S3 need abbrev Al(2)S(3) JA98 13.Aug.24 -153043.7 -155599.9 27.927 0.0 36.675271 1.025458 -1.519016 -175.170049 1500.00 chiolite,cr Na5Al3F14 need abbrev Al(3)F(14)Na(5) JA98 13.Aug.24 -1720924.5 -1812000.0 115.570 0.0 108.881515 25.533831 -21.454481 278.040883 1500.00 beryllium alumi,cr BeAl6O10 need abbrev Al(6)Be(1)O(10) JA98 13.Aug.24 -1270854.2 -1344200.0 41.958 0.0 113.715379 6.066647 -19.980076 -514.217125 1800.00 aluminum silica,cr Al6Si2O13 need abbrev Al(6)O(13)Si(2) JA98 13.Aug.24 -1539625.5 -1629830.1 65.700 0.0 168.666460 -3.309213 -12.505834 -1311.067668 1800.00 boron, beta-rho,cr B need abbrev B(1) JA98 13.Aug.24 0.0 0.0 1.394 0.0 9.272141 -0.005245 -0.598695 -102.183868 1800.00 potassium tetra,cr KBF4 need abbrev B(1)F(4)K(1) JA98 13.Aug.24 -426615.2 -451000.0 32.000 0.0 -9.609213 19.948364 -21.056912 942.375933 1500.00 boric acid,cr HBO2 need abbrev B(1)H(1)O(2) JA98 13.Aug.24 -175667.8 -191870.0 11.700 0.0 64.330464 -8.883322 13.775362 -1105.691434 1500.00 boric acid,cr H3BO3 need abbrev B(1)H(3)O(3) JA98 13.Aug.24 -231481.8 -261469.9 21.210 0.0 71.672817 -0.331343 8.232982 -1059.272626 1500.00 potassium tetra,cr KBH4 need abbrev B(1)H(4)K(1) JA98 13.Aug.24 -38178.3 -54229.9 25.480 0.0 57.446552 -5.367810 9.931884 -757.538391 1800.00 lithium tetrahy,cr LiBH4 need abbrev B(1)H(4)Li(1) JA98 13.Aug.24 -29811.9 -45522.0 18.120 0.0 45.396526 -3.221692 1.981912 -465.883279 1800.00 sodium tetrahyd,cr NaBH4 need abbrev B(1)H(4)Na(1) JA98 13.Aug.24 -30368.1 -45849.9 24.232 0.0 67.634949 -7.163826 10.899677 -984.868224 1800.00 potassium borat,cr KBO2 need abbrev B(1)K(1)O(2) JA98 13.Aug.24 -223856.6 -237800.0 19.116 0.0 45.507320 -3.005615 3.942559 -570.091531 1800.00 lithium borate,cr LiBO2 need abbrev B(1)Li(1)O(2) JA98 13.Aug.24 -230179.3 -243599.9 12.364 0.0 11.256158 13.555162 -3.027747 43.887588 1800.00 boron nitride,cr BN need abbrev B(1)N(1) JA98 13.Aug.24 -53781.5 -59969.9 3.536 0.0 24.878772 -2.239260 2.700479 -388.861990 1800.00 sodium borate,cr NaBO2 need abbrev B(1)Na(1)O(2) JA98 13.Aug.24 -219739.2 -233200.0 17.576 0.0 45.277958 -3.018151 4.032580 -572.329166 1800.00 titanium boride,cr TiB need abbrev B(1)Ti(1) JA98 13.Aug.24 -38167.1 -38300.0 8.300 0.0 12.620417 -0.047767 -5.563638 12.404711 1800.00 beryllium borat,cr Be3B2O6 need abbrev B(2)Be(3)O(6) JA98 13.Aug.24 -702409.9 -741960.1 24.000 0.0 165.382236 -17.206277 21.343211 -2604.807418 1800.00 dihydroxyborane,cr (B(OH)2)2 need abbrev B(2)H(4)O(4) JA98 13.Aug.24 -297351.3 -337099.9 30.000 0.0 102.468306 -0.494041 11.787186 -1515.047840 1500.00 magnesium borid,cr MgB2 need abbrev B(2)Mg(1) JA98 13.Aug.24 -21384.6 -21979.9 8.600 0.0 10.704817 5.729399 -2.390468 29.354128 1800.00 boron oxide,cr B2O3 need abbrev B(2)O(3) JA98 13.Aug.24 -285085.1 -304000.0 12.895 0.0 44.116694 1.704615 1.525741 -541.939779 1500.00 lead borate,cr PbB2O4 need abbrev B(2)O(4)Pb(1) JA98 13.Aug.24 -346616.9 -372000.0 31.200 0.0 99.950911 -7.420503 11.094308 -1460.842061 1800.00 titanium boride,cr TiB2 need abbrev B(2)Ti(1) JA98 13.Aug.24 -65806.4 -66800.0 6.808 0.0 17.851776 3.403841 -3.303594 -79.078265 1800.00 zirconium borid,cr ZrB2 need abbrev B(2)Zr(1) JA98 13.Aug.24 -76059.8 -77099.9 8.590 0.0 15.551774 2.034716 -4.273920 2.775667 1800.00 trifluoroboroxi,cr B3O3F3 need abbrev B(3)F(3)O(3) JA98 13.Aug.24 -557152.5 -586500.0 52.000 0.0 127.986699 -12.544295 21.557979 -2044.557989 1500.00 boroxin,cr B3H3O3 need abbrev B(3)H(3)O(3) JA98 13.Aug.24 -276482.6 -301700.0 40.000 0.0 145.269211 -17.035527 26.629475 -2531.684148 1800.00 potassium borat,cr K2B4O7 need abbrev B(4)K(2)O(7) JA98 13.Aug.24 -749702.7 -796900.1 49.800 0.0 109.151636 -5.628238 -1.642948 -1121.562275 1500.00 lithium borate,cr Li2B4O7 need abbrev B(4)Li(2)O(7) JA98 13.Aug.24 -757717.7 -803599.9 37.200 0.0 67.997197 24.521460 6.107376 -667.520029 1800.00 magnesium borid,cr MgB4 need abbrev B(4)Mg(1) JA98 13.Aug.24 -24809.0 -25099.9 12.410 0.0 44.078502 1.417315 5.652548 -586.904073 1800.00 sodium borate,cr Na2B4O7 need abbrev B(4)Na(2)O(7) JA98 13.Aug.24 -736501.4 -783159.9 45.289 0.0 66.510531 12.115681 -3.924409 -362.823542 1800.00 lead borate,cr PbB4O7 need abbrev B(4)O(7)Pb(1) JA98 13.Aug.24 -637451.2 -683000.0 39.900 0.0 176.595041 -14.224614 22.150014 -2711.297969 1800.00 potassium borat,cr K2B6O10 need abbrev B(6)K(2)O(10) JA98 13.Aug.24 -1040524.4 -1107440.0 60.000 0.0 215.285596 -15.241068 42.909124 -3385.688411 1800.00 lithium borate,cr Li2B6O10 need abbrev B(6)Li(2)O(10) JA98 13.Aug.24 -1047423.8 -1113740.0 45.000 0.0 126.029578 4.075172 6.919618 -1122.678066 1800.00 sodium borate,cr Na2B6O10 need abbrev B(6)Na(2)O(10) JA98 13.Aug.24 -1028386.2 -1094760.0 55.500 0.0 272.863237 -24.170592 52.461906 -4595.338484 1800.00 lead borate,cr PbB6O10 need abbrev B(6)O(10)Pb(1) JA98 13.Aug.24 -937285.6 -1003000.0 48.600 0.0 324.363440 -41.605501 53.738275 -5475.206425 1800.00 potassium borat,cr K2B8O13 need abbrev B(8)K(2)O(13) JA98 13.Aug.24 -1334286.1 -1420919.9 70.200 0.0 270.918662 -12.982610 47.254210 -4200.287967 1800.00 lithium borate,cr Li2B8O13 need abbrev B(8)Li(2)O(13) JA98 13.Aug.24 -1329980.2 -1413570.0 63.400 0.0 137.742936 8.048469 -18.937634 -710.507487 1800.00 decaborane,cr B10H14 need abbrev B(10)H(14) JA98 13.Aug.24 49860.7 -6900.1 42.200 0.0 163.588159 4.142509 -4.192979 -1846.163443 1500.00 lead borate,cr Pb2B10O17 need abbrev B(10)O(17)Pb(2) JA98 13.Aug.24 -1581484.7 -1694000.0 84.300 0.0 479.869494 -49.812200 71.141401 -7726.017280 1800.00 barium,cr Ba need abbrev Ba(1) JA98 13.Aug.24 0.0 0.0 14.932 0.0 6.971199 -0.405980 -6.431475 117.387438 1500.00 barium bromide,cr BaBr2 need abbrev Ba(1)Br(2) JA98 13.Aug.24 -176386.2 -181099.9 35.500 0.0 16.861959 5.169175 -0.001271 0.087348 1500.00 barium chloride,cr BaCl2 need abbrev Ba(1)Cl(2) JA98 13.Aug.24 -193664.0 -205200.0 29.557 0.0 40.934634 3.509061 14.432219 -687.535413 1800.00 barium fluoride,cr BaF2 need abbrev Ba(1)F(2) JA98 13.Aug.24 -276866.6 -288900.1 23.039 0.0 188.026954 -39.155487 65.754526 -4002.183717 1800.00 barium hydroxid,cr Ba(OH)2 need abbrev Ba(1)H(2)O(2) JA98 13.Aug.24 -205419.7 -226169.9 25.600 0.0 9.673844 13.840870 -7.757696 331.507191 1000.00 barium iodide,cr BaI2 need abbrev Ba(1)I(2) JA98 13.Aug.24 -143739.7 -144700.0 39.470 0.0 17.096111 4.801462 0.017905 -0.446891 1500.00 barium oxide,cr BaO need abbrev Ba(1)O(1) JA98 13.Aug.24 -124374.3 -131000.0 17.225 0.0 13.682455 1.275923 -0.416036 -39.718886 1800.00 barium sulfide,cr BaS need abbrev Ba(1)S(1) JA98 13.Aug.24 -109650.1 -110800.0 18.737 0.0 13.076219 1.535713 -0.231194 -25.605352 1800.00 beryllium,cr Be need abbrev Be(1) JA98 13.Aug.24 0.0 0.0 2.256 0.0 11.272009 -0.342302 0.732576 -138.462037 1800.00 beryllium bromi,cr BeBr2 need abbrev Be(1)Br(2) JA98 13.Aug.24 -80636.7 -85000.0 24.000 0.0 24.185929 0.526517 -0.065378 -146.916183 1500.00 beryllium chlor,cr BeCl2 need abbrev Be(1)Cl(2) JA98 13.Aug.24 -106657.3 -117335.1 19.760 0.0 22.177627 -0.207154 -3.273181 -51.022255 1500.00 beryllium chlor,cr BeCl2 need abbrev Be(1)Cl(2) JA98 13.Aug.24 -107433.3 -118599.9 18.120 0.0 29.667811 -1.726489 0.901307 -263.096655 1500.00 beryllium fluor,cr BeF2 need abbrev Be(1)F(2) JA98 13.Aug.24 -234078.6 -245400.1 12.752 0.0 -30.781256 19.963862 -18.730483 1004.934635 1300.00 lithium trifluo,cr LiBeF3 need abbrev Be(1)F(3)Li(1) JA98 13.Aug.24 -376738.3 -394800.0 21.330 0.0 13.000267 29.999920 0.000130 -0.006282 1200.00 lithium tetrafl,cr Li2BeF4 need abbrev Be(1)F(4)Li(2) JA98 13.Aug.24 -518986.1 -543400.1 31.210 0.0 21.710495 35.634832 0.001339 -0.157420 1500.00 beryllium hydro,cr Be(OH)2 need abbrev Be(1)H(2)O(2) JA98 13.Aug.24 -195012.7 -215800.0 12.800 0.0 35.537792 0.176002 -4.118315 -263.641568 1000.00 beryllium hydro,cr Be(OH)2 need abbrev Be(1)H(2)O(2) JA98 13.Aug.24 -195474.2 -216500.0 12.000 0.0 35.537792 0.176002 -4.118315 -263.641568 1000.00 beryllium iodid,cr BeI2 need abbrev Be(1)I(2) JA98 13.Aug.24 -44737.8 -45099.9 28.800 0.0 23.066347 -0.169898 -3.282103 -49.410913 1500.00 beryllium oxide,cr BeO need abbrev Be(1)O(1) JA98 13.Aug.24 -138399.1 -145400.1 3.291 0.0 16.642763 0.005688 -1.727656 -148.621817 1800.00 beryllium oxide,cr BeO need abbrev Be(1)O(1) JA98 13.Aug.24 -137000.2 -143800.0 3.965 0.0 16.642763 0.005688 -1.727656 -148.621817 1800.00 beryllium sulfa,cr BeSO4 need abbrev Be(1)O(4)S(1) JA98 13.Aug.24 -260361.9 -287000.0 18.636 0.0 109.153040 -8.260280 24.675350 -1961.262960 1800.00 beryllium sulfa,cr BeSO4 need abbrev Be(1)O(4)S(1) JA98 13.Aug.24 -260187.4 -286734.0 18.943 0.0 109.153040 -8.260280 24.675350 -1961.262960 1800.00 beryllium sulfa,cr BeSO4 need abbrev Be(1)O(4)S(1) JA98 13.Aug.24 -257048.5 -282060.9 24.088 0.0 109.153040 -8.260280 24.675350 -1961.262960 1800.00 beryllium tungs,cr BeWO4 need abbrev Be(1)O(4)W(1) JA98 13.Aug.24 -335759.6 -361700.0 21.120 0.0 29.551748 9.534717 -4.824763 -64.497384 1800.00 beryllium sulfi,cr BeS need abbrev Be(1)S(1) JA98 13.Aug.24 -55681.6 -56000.0 8.850 0.0 18.998056 -0.092651 -1.682171 -154.363833 1800.00 beryllium silic,cr Be2SiO4 need abbrev Be(2)O(4)Si(1) JA98 13.Aug.24 -478679.3 -506028.9 15.342 0.0 76.069496 -6.081927 0.774912 -903.556974 1800.00 beryllium nitri,cr Be3N2 need abbrev Be(3)N(2) JA98 13.Aug.24 -127359.9 -140599.9 8.157 0.0 55.274013 -4.987469 -0.471722 -654.572227 1800.00 ammonium bromid,cr NH4Br need abbrev Br(1)H(4)N(1) JA98 13.Aug.24 -42066.7 -64900.1 26.970 0.0 75.579135 2.873336 26.696523 -1467.932708 1500.00 potassium bromi,cr KBr need abbrev Br(1)K(1) JA98 13.Aug.24 -90925.2 -94120.0 22.930 0.0 1.817463 9.999668 -0.432590 142.386103 1500.00 lithium bromide,cr LiBr need abbrev Br(1)Li(1) JA98 13.Aug.24 -81651.5 -83870.0 17.700 0.0 42.031737 -3.695047 10.790405 -712.268367 1800.00 sodium bromide,cr NaBr need abbrev Br(1)Na(1) JA98 13.Aug.24 -83476.8 -86380.0 20.750 0.0 10.614755 3.236753 -0.695910 25.727855 1800.00 calcium bromide,cr CaBr2 need abbrev Br(2)Ca(1) JA98 13.Aug.24 -158733.0 -163300.0 31.000 0.0 -9.770557 14.440666 -7.350243 546.509827 1500.00 iron bromide,cr FeBr2 need abbrev Br(2)Fe(1) JA98 13.Aug.24 -56730.9 -59500.0 33.620 0.0 17.588818 5.320266 -0.000767 0.031112 1500.00 mercury bromide,cr HgBr2 need abbrev Br(2)Hg(1) JA98 13.Aug.24 -36372.6 -40500.0 40.706 0.0 15.897090 7.005205 -0.006301 0.378318 1500.00 mercury bromide,cr Hg2Br2 need abbrev Br(2)Hg(2) JA98 13.Aug.24 -42706.5 -48800.0 52.283 0.0 31.957868 0.744683 -0.531986 -113.790032 1500.00 magnesium bromi,cr MgBr2 need abbrev Br(2)Mg(1) JA98 13.Aug.24 -120473.9 -125300.0 28.000 0.0 8.890381 6.760851 -3.576352 183.186131 1500.00 molybdenum brom,cr MoBr2 need abbrev Br(2)Mo(1) JA98 13.Aug.24 -44500.2 -48500.0 29.800 0.0 18.299044 2.500206 -0.000668 0.024212 1800.00 lead bromide,cr PbBr2 need abbrev Br(2)Pb(1) JA98 13.Aug.24 -62319.1 -66300.0 38.511 0.0 18.852640 9.198858 2.599729 -94.873908 1000.00 strontium bromi,cr SrBr2 need abbrev Br(2)Sr(1) JA98 13.Aug.24 -167006.5 -171599.9 34.283 0.0 66.486886 -5.579010 20.059963 -1186.207538 1500.00 titanium bromid,cr TiBr2 need abbrev Br(2)Ti(1) JA98 13.Aug.24 -91584.1 -96900.1 25.900 0.0 17.989470 2.740132 -0.000297 0.013097 1500.00 zirconium bromi,cr ZrBr2 need abbrev Br(2)Zr(1) JA98 13.Aug.24 -91342.7 -96700.0 27.700 0.0 19.909558 2.740149 -0.000029 0.009026 1500.00 molybdenum brom,cr MoBr3 need abbrev Br(3)Mo(1) JA98 13.Aug.24 -61925.2 -67800.0 41.700 0.0 24.142198 3.499418 0.001205 -0.054003 1500.00 titanium bromid,cr TiBr3 need abbrev Br(3)Ti(1) JA98 13.Aug.24 -125612.1 -131500.0 42.171 0.0 90.660627 -7.281418 20.905841 -1513.800673 1500.00 zirconium bromi,cr ZrBr3 need abbrev Br(3)Zr(1) JA98 13.Aug.24 -145221.6 -152000.0 41.122 0.0 26.180497 -0.128454 -1.095746 -19.472893 1800.00 molybdenum brom,cr MoBr4 need abbrev Br(4)Mo(1) JA98 13.Aug.24 -63876.9 -72700.0 50.000 0.0 33.119539 3.350193 0.569268 -51.008217 1000.00 titanium bromid,cr TiBr4 need abbrev Br(4)Ti(1) JA98 13.Aug.24 -141176.1 -147700.0 58.227 0.0 28.835189 0.825157 -1.782281 77.986094 1500.00 zirconium bromi,cr ZrBr4 need abbrev Br(4)Zr(1) JA98 13.Aug.24 -173349.2 -181800.0 53.702 0.0 29.084679 2.884864 -2.196578 40.655242 1000.00 niobium bromide,cr NbBr5 need abbrev Br(5)Nb(1) JA98 13.Aug.24 -121626.9 -132900.1 61.850 0.0 35.349904 0.000000 0.000000 0.000000 800.00 tungsten bromid,cr WBr5 need abbrev Br(5)W(1) JA98 13.Aug.24 -64437.1 -74500.0 65.000 0.0 30.298845 23.834733 0.007674 -4.488127 1000.00 tungsten bromid,cr WBr6 need abbrev Br(6)W(1) JA98 13.Aug.24 -69495.5 -82000.0 75.000 0.0 35.606287 25.997643 0.001988 -0.132705 1000.00 niobium carbide,cr NbC0.98 need abbrev C(0).(98)Nb(1) JA98 13.Aug.24 -32692.4 -33200.0 8.357 0.0 13.789437 0.650371 -1.708473 -58.838169 1800.00 boron carbide,cr B4C need abbrev C(1)B(4) JA98 13.Aug.24 -14844.4 -14979.9 6.495 0.0 24.531344 4.969234 -9.917415 -35.724918 1800.00 beryllium carbi,cr Be2C need abbrev C(1)Be(2) JA98 13.Aug.24 -21108.3 -21700.0 3.900 0.0 40.853860 -0.721262 11.687849 -747.133318 1800.00 copper cyanide,cr CuCN need abbrev C(1)Cu(1)N(1) JA98 13.Aug.24 25885.8 22700.0 21.511 0.0 16.473860 4.298934 -1.119330 -30.866126 1000.00 potassium cyani,cr KCN need abbrev C(1)K(1)N(1) JA98 13.Aug.24 -24381.2 -27120.0 30.540 0.0 15.926612 0.068316 0.086709 -3.075120 1800.00 potassium carbo,cr K2CO3 need abbrev C(1)K(2)O(3) JA98 13.Aug.24 -254428.3 -274900.1 37.170 0.0 22.684323 22.282773 -2.516081 14.321654 1800.00 lithium carbona,cr Li2CO3 need abbrev C(1)Li(2)O(3) JA98 13.Aug.24 -270583.2 -290640.1 21.551 0.0 118.362066 -8.136012 26.756753 -2118.810836 1800.00 magnesium carbo,cr MgCO3 need abbrev C(1)Mg(1)O(3) JA98 13.Aug.24 -245727.5 -265700.0 15.739 0.0 49.777039 1.025890 3.640850 -620.837471 1000.00 sodium cyanide,cr NaCN need abbrev C(1)N(1)Na(1) JA98 13.Aug.24 nan 999999.0 28.314 0.0 16.327773 0.246192 0.044199 -0.838189 1800.00 sodium carbonat,cr Na2CO3 need abbrev C(1)Na(2)O(3) JA98 13.Aug.24 -250480.2 -270260.0 33.173 0.0 55.421895 5.571494 -0.424544 -523.049158 1800.00 silicon carbide,cr SiC need abbrev C(1)Si(1) JA98 13.Aug.24 -16524.6 -17099.9 3.940 0.0 16.944378 -0.206098 -1.047221 -160.808429 1800.00 silicon carbide,cr SiC need abbrev C(1)Si(1) JA98 13.Aug.24 -16933.6 -17500.0 3.970 0.0 17.675177 -0.441462 -0.812115 -176.458589 1800.00 tantalum carbid,cr TaC need abbrev C(1)Ta(1) JA98 13.Aug.24 -34095.1 -34440.0 10.127 0.0 11.244557 1.625285 -1.830352 -15.267351 1800.00 titanium carbid,cr TiC need abbrev C(1)Ti(1) JA98 13.Aug.24 -43125.7 -44000.0 5.791 0.0 8.541766 2.000090 -4.501474 68.310831 1800.00 zirconium carbi,cr ZrC need abbrev C(1)Zr(1) JA98 13.Aug.24 -46195.5 -47000.0 7.964 0.0 15.514141 -0.050221 -1.707518 -79.048005 1800.00 chromium carbid,cr Cr3C2 need abbrev C(2)Cr(3) JA98 13.Aug.24 -20620.7 -20400.1 20.419 0.0 22.582957 8.187055 -9.208217 155.566593 1800.00 lithium carbide,cr Li2C2 need abbrev C(2)Li(2) JA98 13.Aug.24 -13410.9 -14200.0 14.000 0.0 24.331286 2.441534 -7.079398 0.065781 1800.00 magnesium carbi,cr MgC2 need abbrev C(2)Mg(1) JA98 13.Aug.24 20270.3 21000.0 13.000 0.0 17.013435 1.542534 -3.585920 -0.008138 1800.00 aluminum carbid,cr Al4C3 need abbrev C(3)Al(4) JA98 13.Aug.24 -48603.3 -51550.0 21.264 0.0 55.031065 -0.571959 -4.578789 -376.491417 1800.00 chromium carbid,cr Cr7C3 need abbrev C(3)Cr(7) JA98 13.Aug.24 -39713.4 -38400.1 48.036 0.0 39.628755 20.620371 -15.167781 368.836284 1800.00 magnesium carbi,cr Mg2C3 need abbrev C(3)Mg(2) JA98 13.Aug.24 17727.8 19000.0 24.000 0.0 28.400018 2.553686 -5.970344 -0.589693 1800.00 chromium carbid,cr Cr23C6 need abbrev C(6)Cr(23) JA98 13.Aug.24 -80949.6 -78500.0 146.282 0.0 87.251225 71.425483 -53.520362 1751.621363 1800.00 calcium, alpha,cr Ca need abbrev Ca(1) JA98 13.Aug.24 0.0 0.0 9.940 0.0 3.080565 5.712179 0.473308 15.270783 1100.00 calcium, beta,cr Ca need abbrev Ca(1) JA98 13.Aug.24 146.7 252.4 10.294 0.0 -7.759786 10.187732 -2.034613 228.095911 1500.00 calcium chlorid,cr CaCl2 need abbrev Ca(1)Cl(2) JA98 13.Aug.24 -178793.7 -190200.0 25.000 0.0 2.240385 9.648139 -3.777454 285.969463 1800.00 calcium fluorid,cr CaF2 need abbrev Ca(1)F(2) JA98 13.Aug.24 -280472.3 -293000.0 16.389 0.0 -15.601841 18.041196 -9.082574 635.898772 1800.00 calcium hydroxi,cr Ca(OH)2 need abbrev Ca(1)H(2)O(2) JA98 13.Aug.24 -214727.8 -235680.0 19.930 0.0 20.651826 5.696233 -5.209667 76.398964 1000.00 calcium iodide,cr CaI2 need abbrev Ca(1)I(2) JA98 13.Aug.24 -127413.2 -128300.0 34.724 0.0 17.027707 4.717482 -0.010540 0.316254 1500.00 calcium oxide,cr CaO need abbrev Ca(1)O(1) JA98 13.Aug.24 -144240.2 -151789.9 9.133 0.0 12.526341 0.876822 -1.801134 -12.011849 1800.00 calcium sulfide,cr CaS need abbrev Ca(1)S(1) JA98 13.Aug.24 -111885.5 -113099.9 13.528 0.0 14.139099 0.378796 -0.007720 -50.271642 1800.00 cesium chloride,cr CsCl need abbrev Cl(1)Cs(1) JA98 13.Aug.24 -99034.4 -105840.1 24.183 0.0 23.357109 -1.080556 1.994697 -220.582082 1800.00 copper chloride,cr CuCl need abbrev Cl(1)Cu(1) JA98 13.Aug.24 -28890.1 -33000.0 20.800 0.0 12.054601 1.547759 -4.668763 75.119003 1500.00 ammonium chlori,cr NH4Cl need abbrev Cl(1)H(4)N(1) JA98 13.Aug.24 -48540.2 -75180.0 22.672 0.0 30.062458 14.779813 7.364623 -373.212279 1500.00 ammonium perchl,cr NH4ClO4 need abbrev Cl(1)H(4)N(1)O(4) JA98 13.Aug.24 -21177.6 -70690.0 44.020 0.0 89.000244 23.909436 20.162387 -1521.166257 1500.00 iodine chloride,cr ICl need abbrev Cl(1)I(1) JA98 13.Aug.24 -3357.8 -8466.1 23.405 0.0 25.799744 1.325437 2.218743 -267.083065 1000.00 potassium chlor,cr KCl need abbrev Cl(1)K(1) JA98 13.Aug.24 -97696.2 -104370.0 19.731 0.0 -1.760480 11.068673 -1.852605 221.641277 1500.00 potassium perch,cr KClO4 need abbrev Cl(1)K(1)O(4) JA98 13.Aug.24 -71769.1 -102800.0 36.100 0.0 52.077494 6.865582 -5.399751 -370.102362 1500.00 lithium chlorid,cr LiCl need abbrev Cl(1)Li(1) JA98 13.Aug.24 -91782.7 -97577.9 14.173 0.0 10.468025 4.932121 -0.361844 -0.862765 1800.00 lithium perchlo,cr LiClO4 need abbrev Cl(1)Li(1)O(4) JA98 13.Aug.24 -60686.2 -91000.0 30.000 0.0 42.265983 6.532267 -7.492692 -184.788543 1500.00 sodium chloride,cr NaCl need abbrev Cl(1)Na(1) JA98 13.Aug.24 -91783.9 -98260.0 17.236 0.0 0.791408 9.240295 -1.715954 180.829189 1500.00 sodium perchlor,cr NaClO4 need abbrev Cl(1)Na(1)O(4) JA98 13.Aug.24 -60764.8 -91479.9 34.000 0.0 47.138257 6.849451 -5.885239 -275.716572 1500.00 cobalt chloride,cr CoCl2 need abbrev Cl(2)Co(1) JA98 13.Aug.24 -64447.2 -74700.0 26.115 0.0 22.171636 0.609026 -0.504744 -52.133876 1500.00 copper chloride,cr CuCl2 need abbrev Cl(2)Cu(1) JA98 13.Aug.24 -38642.4 -49200.0 25.833 0.0 20.944059 0.622387 -0.562745 -57.424915 1500.00 iron chloride,cr FeCl2 need abbrev Cl(2)Fe(1) JA98 13.Aug.24 -72261.5 -81700.0 28.190 0.0 26.229537 -0.631594 1.021284 -152.830476 1800.00 mercury chlorid,cr HgCl2 need abbrev Cl(2)Hg(1) JA98 13.Aug.24 -43982.3 -55000.0 34.535 0.0 20.993139 2.988802 0.568696 -83.790813 1500.00 mercury chlorid,cr Hg2Cl2 need abbrev Cl(2)Hg(2) JA98 13.Aug.24 -50307.1 -63319.1 46.017 0.0 33.772191 1.159831 1.525536 -197.780779 1500.00 magnesium chlor,cr MgCl2 need abbrev Cl(2)Mg(1) JA98 13.Aug.24 -141512.2 -153349.9 21.422 0.0 16.881358 2.924116 -1.805809 23.195181 1800.00 nickel chloride,cr NiCl2 need abbrev Cl(2)Ni(1) JA98 13.Aug.24 -61849.7 -72880.0 23.460 0.0 -65.095027 31.725926 -26.564581 1767.613460 1800.00 tungsten chlori,cr WO2Cl2 need abbrev Cl(2)O(2)W(1) JA98 13.Aug.24 -167968.7 -186500.0 48.000 0.0 89.247093 -10.436915 14.251162 -1332.736186 1000.00 lead chloride,cr PbCl2 need abbrev Cl(2)Pb(1) JA98 13.Aug.24 -75076.7 -85900.1 32.500 0.0 16.300554 6.934422 -0.047751 1.930172 1500.00 strontium chlor,cr SrCl2 need abbrev Cl(2)Sr(1) JA98 13.Aug.24 -186416.1 -198099.9 27.440 0.0 81.908438 -8.973301 25.864276 -1550.440131 1800.00 titanium chlori,cr TiCl2 need abbrev Cl(2)Ti(1) JA98 13.Aug.24 -111335.8 -123200.0 20.876 0.0 14.736189 4.770373 -1.467154 37.513897 1800.00 tungsten chlori,cr WCl2 need abbrev Cl(2)W(1) JA98 13.Aug.24 -52578.4 -61500.0 31.200 0.0 17.056222 5.227473 0.006250 -0.373519 1800.00 zirconium chlor,cr ZrCl2 need abbrev Cl(2)Zr(1) JA98 13.Aug.24 -92175.0 -103000.0 26.300 0.0 26.025479 -0.187357 1.300126 -173.685634 1500.00 iron chloride,cr FeCl3 need abbrev Cl(3)Fe(1) JA98 13.Aug.24 -79811.2 -95460.1 34.019 0.0 62.180001 -8.359922 3.384226 -698.712482 1500.00 titanium chlori,cr TiCl3 need abbrev Cl(3)Ti(1) JA98 13.Aug.24 -156421.8 -172500.0 33.401 0.0 23.745131 2.370800 -0.132452 -18.737359 1500.00 zirconium chlor,cr ZrCl3 need abbrev Cl(3)Zr(1) JA98 13.Aug.24 -154475.9 -170700.0 34.850 0.0 29.103052 1.167685 -0.004479 -111.210880 1800.00 molybdenum chlo,cr MoCl4 need abbrev Cl(4)Mo(1) JA98 13.Aug.24 -96119.5 -114000.0 53.500 0.0 58.997600 0.583348 8.670850 -653.830295 1500.00 tungsten chlori,cr OWCl4 need abbrev Cl(4)O(1)W(1) JA98 13.Aug.24 -131283.9 -160400.1 41.300 0.0 114.593593 -18.453605 17.074804 -1611.292867 1000.00 titanium chlori,cr TiCl4 need abbrev Cl(4)Ti(1) JA98 13.Aug.24 nan 999999.0 49.969 0.0 43.847861 0.569137 -1.630197 -194.115638 500.00 tungsten chlori,cr WCl4 need abbrev Cl(4)W(1) JA98 13.Aug.24 -85912.0 -105900.1 47.400 0.0 62.152594 -0.575601 9.507482 -718.114037 1800.00 zirconium chlor,cr ZrCl4 need abbrev Cl(4)Zr(1) JA98 13.Aug.24 -212714.9 -234349.9 43.360 0.0 29.961335 3.333252 -1.978290 -1.754872 1000.00 molybdenum chlo,cr MoCl5 need abbrev Cl(5)Mo(1) JA98 13.Aug.24 -101214.9 -126000.0 57.000 0.0 111.166396 -13.952394 15.898138 -1513.940701 1000.00 niobium chlorid,cr NbCl5 need abbrev Cl(5)Nb(1) JA98 13.Aug.24 -163513.6 -190599.9 51.160 0.0 35.349904 0.000000 0.000000 0.000000 700.00 tantalum chlori,cr TaCl5 need abbrev Cl(5)Ta(1) JA98 13.Aug.24 -178405.4 -205300.0 53.000 0.0 35.349904 0.000000 0.000000 0.000000 700.00 tungsten chlori,cr WCl5 need abbrev Cl(5)W(1) JA98 13.Aug.24 -96035.1 -122599.9 52.000 0.0 101.313022 -10.249334 13.129783 -1309.144550 1500.00 molybdenum chlo,cr MoCl6 need abbrev Cl(6)Mo(1) JA98 13.Aug.24 -93459.1 -125000.0 61.000 0.0 102.635884 -13.045875 3.944282 -1060.870932 1500.00 tungsten chlori,cr WCl6 need abbrev Cl(6)W(1) JA98 13.Aug.24 -108877.6 -141900.1 57.000 0.0 173.415483 -40.146588 23.638418 -2522.861351 1000.00 tungsten chlori,cr WCl6 need abbrev Cl(6)W(1) JA98 13.Aug.24 -106899.9 -136920.9 67.066 0.0 45.000000 0.000000 0.000000 0.000000 1500.00 cobalt,cr Co need abbrev Co(1) JA98 13.Aug.24 0.0 0.0 7.186 0.0 44.190171 -7.707000 14.421197 -892.470763 1800.00 cobalt fluoride,cr CoF2 need abbrev Co(1)F(2) JA98 13.Aug.24 -149751.9 -160500.0 19.605 0.0 19.804037 0.620626 -3.140719 0.126793 1800.00 cobalt fluoride,cr CoF3 need abbrev Co(1)F(3) JA98 13.Aug.24 -171819.6 -188900.1 22.600 0.0 11.758496 5.472309 -5.640913 258.166276 1500.00 cobalt oxide,cr CoO need abbrev Co(1)O(1) JA98 13.Aug.24 -51144.4 -56820.0 12.666 0.0 5.053949 4.160216 -0.938013 136.004076 1800.00 cobalt sulfate,cr CoSO4 need abbrev Co(1)O(4)S(1) JA98 13.Aug.24 -187000.0 -212300.0 28.054 0.0 55.771888 -1.431296 -0.476364 -521.490484 1800.00 cobalt oxide,cr Co3O4 need abbrev Co(3)O(4) JA98 13.Aug.24 -189978.7 -217500.0 27.315 0.0 -15.637842 40.857781 -13.587798 832.147358 1500.00 chromium,cr Cr need abbrev Cr(1) JA98 13.Aug.24 0.0 0.0 5.645 0.0 -6.141645 6.710069 -3.506251 235.346003 1800.00 chromium nitrid,cr CrN need abbrev Cr(1)N(1) JA98 13.Aug.24 -22177.3 -28000.0 9.013 0.0 14.807797 0.749836 2.798622 -99.402905 1800.00 chromium nitrid,cr Cr2N need abbrev Cr(2)N(1) JA98 13.Aug.24 -24428.3 -30000.0 15.500 0.0 10.552405 7.574716 -3.605159 121.761344 1800.00 chromium oxide,cr Cr2O3 need abbrev Cr(2)O(3) JA98 13.Aug.24 -251688.8 -271200.0 19.396 0.0 48.173623 -2.192484 11.282895 -527.774461 1800.00 cesium,cr Cs need abbrev Cs(1) JA98 13.Aug.24 0.0 0.0 20.351 0.0 3.657238 1.523100 -3.621324 132.415094 1000.00 cesium fluoride,cr CsF need abbrev Cs(1)F(1) JA98 13.Aug.24 -125568.1 -132570.0 21.100 0.0 26.076981 -1.243054 4.325840 -312.598457 1800.00 cesium hydroxid,cr CsOH need abbrev Cs(1)H(1)O(1) JA98 13.Aug.24 -88603.3 -99599.9 23.600 0.0 51.407116 -13.338287 2.447558 -588.257528 1000.00 cesium sulfate,,cr Cs2SO4 need abbrev Cs(2)O(4)S(1) JA98 13.Aug.24 -312249.5 -337034.4 63.297 0.0 13.739796 36.524890 9.159488 -153.223653 1500.00 cesium sulfate,,cr Cs2SO4 need abbrev Cs(2)O(4)S(1) JA98 13.Aug.24 -316241.6 -344800.0 50.640 0.0 0.502476 46.394920 -3.353917 376.510430 1200.00 copper,cr Cu need abbrev Cu(1) JA98 13.Aug.24 0.0 0.0 7.926 0.0 -10.209906 7.062024 -4.687730 330.411170 1800.00 copper fluoride,cr CuF need abbrev Cu(1)F(1) JA98 13.Aug.24 -62032.7 -67000.0 15.500 0.0 22.122995 -1.424087 0.936942 -178.795622 1800.00 copper fluoride,cr CuF2 need abbrev Cu(1)F(2) JA98 13.Aug.24 -117505.3 -128800.0 18.511 0.0 35.106687 -2.227462 1.950782 -362.148863 1800.00 copper hydroxid,cr Cu(OH)2 need abbrev Cu(1)H(2)O(2) JA98 13.Aug.24 -89067.9 -107640.1 25.900 0.0 55.058359 -5.718274 7.982619 -683.001155 1500.00 copper oxide,cr CuO need abbrev Cu(1)O(1) JA98 13.Aug.24 -30662.5 -37300.0 10.180 0.0 11.623327 1.772591 -1.815869 -0.210310 1800.00 copper sulfate,cr CuSO4 need abbrev Cu(1)O(4)S(1) JA98 13.Aug.24 -157930.4 -184030.1 26.112 0.0 54.857251 -1.467348 -0.436021 -524.250094 1800.00 copper oxide,cr Cu2O need abbrev Cu(2)O(1) JA98 13.Aug.24 -35345.6 -40800.0 22.075 0.0 -3.559911 10.972471 -7.274959 403.274837 1800.00 copper oxide su,cr CuO.CuSO4 need abbrev Cu(2)O(5)S(1) JA98 13.Aug.24 -189353.0 -221700.0 37.600 0.0 56.944440 5.503243 -3.996738 -352.813221 1500.00 potassium fluor,cr KF need abbrev F(1)K(1) JA98 13.Aug.24 -128808.3 -135900.1 15.905 0.0 20.785992 1.119320 3.695800 -232.894544 1800.00 lithium fluorid,cr LiF need abbrev F(1)Li(1) JA98 13.Aug.24 -140693.1 -147450.0 8.523 0.0 13.747143 2.929302 -0.205979 -75.446122 1800.00 sodium fluoride,cr NaF need abbrev F(1)Na(1) JA98 13.Aug.24 -130277.5 -137520.1 12.240 0.0 15.456606 2.752930 1.935873 -123.934591 1800.00 iron fluoride,cr FeF2 need abbrev F(2)Fe(1) JA98 13.Aug.24 -158501.0 -168700.0 20.790 0.0 27.104999 -1.241522 1.059231 -201.154051 1800.00 potassium fluor,cr K(HF2) need abbrev F(2)H(1)K(1) JA98 13.Aug.24 -206284.7 -222570.0 24.920 0.0 16.054011 1.350706 -11.109977 245.817535 1800.00 mercury fluorid,cr HgF2 need abbrev F(2)Hg(1) JA98 13.Aug.24 -89420.2 -101000.0 27.800 0.0 16.400141 5.000013 0.000182 -0.002937 1800.00 mercury fluorid,cr Hg2F2 need abbrev F(2)Hg(2) JA98 13.Aug.24 -102162.8 -116000.0 38.400 0.0 38.334267 -0.299309 2.728234 -298.806014 1500.00 magnesium fluor,cr MgF2 need abbrev F(2)Mg(1) JA98 13.Aug.24 -256001.2 -268700.0 13.684 0.0 22.297676 0.125300 -1.923441 -94.540037 1800.00 lead fluoride, ,cr PbF2 need abbrev F(2)Pb(1) JA98 13.Aug.24 -150782.7 -161800.0 27.000 0.0 11.634529 8.977126 -1.228064 74.997026 1000.00 lead fluoride, ,cr PbF2 need abbrev F(2)Pb(1) JA98 13.Aug.24 -150650.1 -161565.5 27.342 0.0 89.414125 -22.375002 13.092990 -1383.161101 1500.00 strontium fluor,cr SrF2 need abbrev F(2)Sr(1) JA98 13.Aug.24 -278332.7 -290900.1 19.628 0.0 84.836907 -5.889854 34.149520 -1789.594666 1800.00 zirconium fluor,cr ZrF2 need abbrev F(2)Zr(1) JA98 13.Aug.24 -218146.3 -230000.0 18.000 0.0 30.162546 -0.930824 2.801118 -298.032755 1800.00 iron fluoride,cr FeF3 need abbrev F(3)Fe(1) JA98 13.Aug.24 -232383.6 -249000.0 23.500 0.0 -9.341873 10.716913 -13.203323 756.207033 1800.00 titanium fluori,cr TiF3 need abbrev F(3)Ti(1) JA98 13.Aug.24 -325493.3 -343099.9 21.000 0.0 27.119082 4.337071 3.359378 -175.295018 1800.00 zirconium fluor,cr ZrF3 need abbrev F(3)Zr(1) JA98 13.Aug.24 -316815.2 -335000.0 21.000 0.0 37.430591 -2.380335 0.474610 -296.954569 1500.00 tungsten fluori,cr WF4O need abbrev F(4)O(1)W(1) JA98 13.Aug.24 -310243.3 -336259.1 42.000 0.0 125.979808 -23.049728 15.702993 -1810.461547 1000.00 titanium fluori,cr TiF4 need abbrev F(4)Ti(1) JA98 13.Aug.24 -372652.2 -394200.0 32.016 0.0 48.246897 -1.194201 -0.855970 -338.736187 1500.00 zirconium fluor,cr ZrF4 need abbrev F(4)Zr(1) JA98 13.Aug.24 -432589.6 -456800.0 25.024 0.0 29.041609 4.121224 -3.753623 -22.588578 1400.00 iron oxide, wus,cr Fe0.947O need abbrev Fe(0).(947)O(1) JA98 13.Aug.24 -58590.6 -63640.1 13.764 0.0 12.289434 1.798019 -0.459246 -13.876745 1800.00 iron sulfide, p,cr Fe0.877S need abbrev Fe(0).(877)S(1) JA98 13.Aug.24 -25540.9 -25200.0 14.531 0.0 -76.637331 28.969285 -33.361952 2022.111719 1800.00 iron, alpha-del,cr Fe need abbrev Fe(1) JA98 13.Aug.24 0.0 0.0 6.530 0.0 82.846137 -19.741026 23.933495 -1683.577744 1800.00 iron, gamma,cr Fe need abbrev Fe(1) JA98 13.Aug.24 1275.3 1861.4 8.495 0.0 5.729989 2.000008 -0.000018 0.000604 1800.00 iron hydroxide,cr Fe(OH)2 need abbrev Fe(1)H(2)O(2) JA98 13.Aug.24 -117583.4 -137200.0 21.000 0.0 57.463299 -6.214495 8.101499 -716.413627 1500.00 iron hydroxide,cr Fe(OH)3 need abbrev Fe(1)H(3)O(3) JA98 13.Aug.24 -168610.7 -199000.0 25.000 0.0 75.323923 -5.214569 7.353804 -996.290766 1500.00 iron iodide,cr FeI2 need abbrev Fe(1)I(2) JA98 13.Aug.24 -26702.9 -25000.0 40.000 0.0 121.109247 -15.215924 44.461121 -2519.321191 1500.00 iron oxide,cr FeO need abbrev Fe(1)O(1) JA98 13.Aug.24 -60093.0 -65020.1 14.520 0.0 16.091312 0.919693 0.789976 -91.744806 1800.00 iron sulfate,cr FeSO4 need abbrev Fe(1)O(4)S(1) JA98 13.Aug.24 -197150.8 -222000.0 28.909 0.0 55.268053 -1.467564 -0.435751 -524.267632 1800.00 iron sulfide, t,cr FeS need abbrev Fe(1)S(1) JA98 13.Aug.24 -24367.4 -24300.0 14.417 0.0 -124.230006 41.293828 -55.156661 3221.283053 1800.00 iron sulfide, m,cr FeS2 need abbrev Fe(1)S(2) JA98 13.Aug.24 -37322.9 -40000.0 12.874 0.0 9.100935 6.310426 -4.299033 151.380260 1400.00 iron sulfide, p,cr FeS2 need abbrev Fe(1)S(2) JA98 13.Aug.24 -38255.3 -41000.0 12.647 0.0 9.024818 6.337170 -4.225780 150.070389 1400.00 iron oxide, hem,cr Fe2O3 need abbrev Fe(2)O(3) JA98 13.Aug.24 -177706.3 -197300.0 20.889 0.0 61.452418 -9.056215 -4.950201 -496.569372 1800.00 iron sulfate,cr Fe2(SO4)3 need abbrev Fe(2)O(12)S(3) JA98 13.Aug.24 -540805.2 -617349.9 73.500 0.0 145.448079 -3.858352 -1.153719 -1379.463427 1800.00 iron oxide, mag,cr Fe3O4 need abbrev Fe(3)O(4) JA98 13.Aug.24 -243173.5 -267900.1 34.719 0.0 114.390867 -24.028646 -7.072066 -1123.748336 1800.00 gallium,cr Ga need abbrev Ga(1) JA98 13.Aug.24 0.0 0.0 9.761 0.0 -12.812078 11.817032 -3.641027 338.584879 500.00 potassium hydri,cr KH need abbrev H(1)K(1) JA98 13.Aug.24 -12669.7 -13819.3 12.000 0.0 24.407598 -1.257479 1.318067 -283.998794 1500.00 potassium hydro,cr KOH need abbrev H(1)K(1)O(1) JA98 13.Aug.24 -90559.0 -101510.0 18.859 0.0 8.600294 2.254276 -8.962975 280.012968 1500.00 lithium hydride,cr LiH need abbrev H(1)Li(1) JA98 13.Aug.24 -16359.2 -21659.9 4.789 0.0 3.715555 12.621169 -0.696560 -0.251430 1500.00 lithium hydroxi,cr LiOH need abbrev H(1)Li(1)O(1) JA98 13.Aug.24 -104913.5 -115900.1 10.234 0.0 12.117627 7.975551 -2.454870 1.987543 1500.00 sodium hydride,cr NaH need abbrev H(1)Na(1) JA98 13.Aug.24 -8018.9 -13490.0 9.564 0.0 26.635055 -1.787690 2.229666 -343.703756 1500.00 sodium hydroxid,cr NaOH need abbrev H(1)Na(1)O(1) JA98 13.Aug.24 -90760.3 -101800.0 15.403 0.0 38.651529 -6.213232 -2.084903 -354.266952 1500.00 magnesium hydri,cr MgH2 need abbrev H(2)Mg(1) JA98 13.Aug.24 -8775.3 -18200.0 7.431 0.0 35.855495 -3.114516 4.045710 -535.808456 1800.00 magnesium hydro,cr Mg(OH)2 need abbrev H(2)Mg(1)O(2) JA98 13.Aug.24 -199247.6 -221000.0 15.115 0.0 29.252526 1.730183 -5.120911 -95.945301 1000.00 strontium hydro,cr Sr(OH)2 need abbrev H(2)O(2)Sr(1) JA98 13.Aug.24 -210587.5 -231570.0 23.200 0.0 8.075953 31.918514 -0.093416 7.132451 1000.00 tungstic acid,cr O2W(OH)2 need abbrev H(2)O(4)W(1) JA98 13.Aug.24 -239939.1 -270500.0 34.600 0.0 119.249246 -18.682721 16.873528 -1825.740358 1000.00 titanium hydrid,cr TiH2 need abbrev H(2)Ti(1) JA98 13.Aug.24 -25113.0 -34500.0 7.101 0.0 40.670361 -4.244532 4.907504 -651.820489 1800.00 phosphoric acid,cr H3PO4 need abbrev H(3)O(4)P(1) JA98 13.Aug.24 -268717.5 -306973.0 26.421 0.0 3.806512 72.383318 0.016138 -1.004100 1000.00 ammonium iodide,cr NH4I need abbrev H(4)I(1)N(1) JA98 13.Aug.24 -26760.5 -48300.0 27.000 0.0 71.228631 -2.178584 17.994764 -1226.401164 1800.00 hafnium, alpha,cr Hf need abbrev Hf(1) JA98 13.Aug.24 0.0 0.0 10.411 0.0 6.812870 1.556955 0.216308 -23.747349 1800.00 hafnium, beta,cr Hf need abbrev Hf(1) JA98 13.Aug.24 3215.8 4466.1 14.604 0.0 3.583495 2.206869 -0.000036 0.003421 1800.00 mercury iodide,cr HgI2 need abbrev Hg(1)I(2) JA98 13.Aug.24 -24427.3 -25200.0 43.338 0.0 13.871540 1.513556 -4.606536 163.020268 1500.00 mercury oxide,cr HgO need abbrev Hg(1)O(1) JA98 13.Aug.24 -13979.4 -21699.1 16.795 0.0 24.381642 -2.100846 1.665404 -260.685753 1000.00 mercury iodide,cr Hg2I2 need abbrev Hg(2)I(2) JA98 13.Aug.24 -26544.7 -28462.0 57.670 0.0 31.879946 0.715204 -0.421755 -109.433338 1500.00 potassium iodid,cr KI need abbrev I(1)K(1) JA98 13.Aug.24 -77204.6 -78370.0 25.427 0.0 36.140938 -2.685107 9.129701 -567.697648 1800.00 lithium iodide,cr LiI need abbrev I(1)Li(1) JA98 13.Aug.24 -64451.5 -64550.0 20.500 0.0 40.941563 -4.223882 8.957313 -650.769383 1800.00 sodium iodide,cr NaI need abbrev I(1)Na(1) JA98 13.Aug.24 -68014.3 -68800.0 23.542 0.0 12.267144 2.454250 -0.122721 -6.499161 1800.00 iodine,cr I2 need abbrev I(2) JA98 13.Aug.24 0.0 0.0 27.759 0.0 44.653481 18.808604 12.558340 -887.337101 700.00 magnesium iodid,cr MgI2 need abbrev I(2)Mg(1) JA98 13.Aug.24 -86338.4 -87700.0 31.000 0.0 21.347277 2.001423 -0.275588 -64.654864 1500.00 molybdenum iodi,cr MoI2 need abbrev I(2)Mo(1) JA98 13.Aug.24 -25190.2 -24840.1 35.770 0.0 18.869808 2.983029 -0.003436 0.204342 1500.00 lead iodide,cr PbI2 need abbrev I(2)Pb(1) JA98 13.Aug.24 -41485.9 -41919.9 41.787 0.0 -31.280124 31.822189 -7.352654 839.302078 1000.00 strontium iodid,cr SrI2 need abbrev I(2)Sr(1) JA98 13.Aug.24 -133294.0 -134200.0 38.031 0.0 16.658160 6.568581 -0.008932 0.464646 1500.00 titanium iodide,cr TiI2 need abbrev I(2)Ti(1) JA98 13.Aug.24 -61867.6 -63599.9 29.300 0.0 20.090363 1.739903 0.000190 -0.006871 1800.00 zirconium iodid,cr ZrI2 need abbrev I(2)Zr(1) JA98 13.Aug.24 -61657.5 -62000.0 35.900 0.0 22.686104 1.678658 0.239128 -16.076451 1500.00 molybdenum iodi,cr MoI3 need abbrev I(3)Mo(1) JA98 13.Aug.24 -29270.8 -29800.0 46.700 0.0 24.831677 3.976970 -0.002767 0.182868 1000.00 titanium iodide,cr TiI3 need abbrev I(3)Ti(1) JA98 13.Aug.24 -76108.7 -77000.0 46.000 0.0 27.390422 1.739868 0.000224 -0.009199 1500.00 zirconium iodid,cr ZrI3 need abbrev I(3)Zr(1) JA98 13.Aug.24 -94394.6 -95000.0 48.897 0.0 25.300402 0.175893 -0.936292 9.088107 1800.00 molybdenum iodi,cr MoI4 need abbrev I(4)Mo(1) JA98 13.Aug.24 -29768.6 -29400.1 63.590 0.0 32.789914 0.000000 0.000000 0.000000 600.00 tetraiodosilane,cr SiI4 need abbrev I(4)Si(1) JA98 13.Aug.24 -45802.3 -45300.0 61.700 0.0 18.570465 21.466235 -0.169916 17.984663 500.00 titanium iodide,cr TiI4 need abbrev I(4)Ti(1) JA98 13.Aug.24 -88596.3 -89800.0 58.831 0.0 0.188091 9.041078 -21.493913 888.022902 1500.00 zirconium iodid,cr ZrI4 need abbrev I(4)Zr(1) JA98 13.Aug.24 -116024.4 -116800.0 62.206 0.0 30.518847 2.675664 -1.130633 8.628805 1000.00 potassium,cr K need abbrev K(1) JA98 13.Aug.24 0.0 0.0 15.457 0.0 1407.152734 -809.448585 203.549479 -23961.888037 400.00 potassium super,cr KO2 need abbrev K(1)O(2) JA98 13.Aug.24 -57502.2 -68000.0 29.278 0.0 29.597123 -1.420555 -0.613327 -171.998901 1500.00 potassium oxide,cr K2O need abbrev K(2)O(1) JA98 13.Aug.24 -76982.3 -86800.0 22.500 0.0 11.537043 11.109911 -3.100278 150.187674 1800.00 potassium perox,cr K2O2 need abbrev K(2)O(2) JA98 13.Aug.24 -102714.6 -118500.0 27.000 0.0 24.185591 13.510231 0.507118 -83.717225 1800.00 potassium silic,cr K2SiO3 need abbrev K(2)O(3)Si(1) JA98 13.Aug.24 -347928.5 -370000.0 34.930 0.0 61.581504 -0.391920 0.590671 -584.803455 1800.00 potassium sulfa,cr K2SO4 need abbrev K(2)O(4)S(1) JA98 13.Aug.24 -315390.8 -343620.0 41.956 0.0 12.679729 34.673815 -4.018490 222.865490 1200.00 potassium sulfa,cr K2SO4 need abbrev K(2)O(4)S(1) JA98 13.Aug.24 -313365.4 -340402.2 45.956 0.0 27.393120 19.399367 0.015600 -1.255287 1500.00 potassium sulfi,cr K2S need abbrev K(2)S(1) JA98 13.Aug.24 -86698.1 -90000.0 27.500 0.0 208.804220 -40.005449 73.737008 -4504.528380 1800.00 lithium,cr Li need abbrev Li(1) JA98 13.Aug.24 0.0 0.0 6.951 0.0 11.562618 -2.174752 -1.142130 -65.527432 1000.00 lithium oxide,cr Li2O need abbrev Li(2)O(1) JA98 13.Aug.24 -134345.6 -143099.9 9.056 0.0 27.538251 1.445431 0.270600 -264.021421 1800.00 lithium peroxid,cr Li2O2 need abbrev Li(2)O(2) JA98 13.Aug.24 -136461.3 -151200.0 13.500 0.0 19.203122 11.091593 -2.722067 -44.185678 1800.00 lithium silicat,cr Li2SiO3 need abbrev Li(2)O(3)Si(1) JA98 13.Aug.24 -372547.6 -394240.0 19.191 0.0 37.190411 4.575235 -4.829947 -156.246366 1800.00 lithium titaniu,cr Li2TiO3 need abbrev Li(2)O(3)Ti(1) JA98 13.Aug.24 -377573.4 -399300.0 21.930 0.0 -4.263404 16.648550 -19.573329 819.155818 1800.00 lithium sulfate,cr Li2SO4 need abbrev Li(2)O(4)S(1) JA98 13.Aug.24 -315753.1 -343300.0 27.234 0.0 9.907253 35.601601 -7.218533 271.257805 1200.00 lithium sulfate,cr Li2SO4 need abbrev Li(2)O(4)S(1) JA98 13.Aug.24 -313115.0 -340672.3 27.199 0.0 38.402035 1.585178 -30.010681 447.639368 1800.00 lithium silicat,cr Li2Si2O5 need abbrev Li(2)O(5)Si(2) JA98 13.Aug.24 -577640.5 -612070.0 30.000 0.0 72.059725 1.944382 -7.585474 -535.608891 1800.00 lithium nitride,cr Li3N need abbrev Li(3)N(1) JA98 13.Aug.24 -30745.7 -39330.1 14.960 0.0 27.036462 14.934883 1.919828 -269.990108 1300.00 magnesium,cr Mg need abbrev Mg(1) JA98 13.Aug.24 0.0 0.0 7.809 0.0 -9.193988 8.315631 -3.856076 292.488911 1800.00 magnesium oxide,cr MgO need abbrev Mg(1)O(1) JA98 13.Aug.24 -135981.1 -143700.0 6.435 0.0 13.126188 0.531355 -1.937278 -38.700341 1800.00 magnesium silic,cr MgSiO3 need abbrev Mg(1)O(3)Si(1) JA98 13.Aug.24 -349431.9 -370200.0 16.197 0.0 51.662756 -5.080105 2.399896 -574.382308 1800.00 magnesium titan,cr MgTiO3 need abbrev Mg(1)O(3)Ti(1) JA98 13.Aug.24 -354715.1 -375849.9 17.820 0.0 34.910848 1.573515 -3.695525 -160.215379 1800.00 magnesium sulfa,cr MgSO4 need abbrev Mg(1)O(4)S(1) JA98 13.Aug.24 -274237.1 -301574.1 21.844 0.0 53.964528 2.058394 4.764782 -636.538463 1800.00 magnesium tungs,cr MgWO4 need abbrev Mg(1)O(4)W(1) JA98 13.Aug.24 -335617.6 -362300.0 24.184 0.0 18.760311 12.306849 -7.764157 214.011221 1800.00 magnesium titan,cr MgTi2O5 need abbrev Mg(1)O(5)Ti(2) JA98 13.Aug.24 -566154.4 -599750.0 32.410 0.0 43.177092 8.569518 -6.346983 -60.323242 1800.00 magnesium sulfi,cr MgS need abbrev Mg(1)S(1) JA98 13.Aug.24 -81604.4 -82630.0 12.030 0.0 11.500975 0.939904 -0.903454 2.104026 1800.00 magnesium silic,cr Mg2SiO4 need abbrev Mg(2)O(4)Si(1) JA98 13.Aug.24 -491844.9 -520300.0 22.739 0.0 46.775914 3.202335 -4.530754 -246.451533 1800.00 magnesium titan,cr Mg2TiO4 need abbrev Mg(2)O(4)Ti(1) JA98 13.Aug.24 -489416.6 -517300.0 27.510 0.0 40.651193 7.162126 -5.199956 -106.980459 1800.00 magnesium silic,cr Mg2Si need abbrev Mg(2)Si(1) JA98 13.Aug.24 -18416.6 -18599.9 19.500 0.0 18.313150 3.323735 -1.841232 -17.466422 1800.00 magnesium nitri,cr Mg3N2 need abbrev Mg(3)N(2) JA98 13.Aug.24 -95822.9 -110200.0 21.000 0.0 52.975116 -5.564031 6.981097 -590.168948 1800.00 magnesium phosp,cr Mg3P2O8 need abbrev Mg(3)O(8)P(2) JA98 13.Aug.24 -837203.4 -895099.9 45.000 0.0 195.924214 -17.732125 36.378079 -3114.215818 1800.00 manganese,cr Mn need abbrev Mn(1) JA98 13.Aug.24 0.0 0.0 7.651 0.0 2.315650 4.243697 -1.722355 79.481546 1800.00 molybdenum,cr Mo need abbrev Mo(1) JA98 13.Aug.24 0.0 0.0 6.837 0.0 1.954632 2.415742 -1.470756 80.719332 1800.00 molybdenum oxid,cr MoO2 need abbrev Mo(1)O(2) JA98 13.Aug.24 -127153.7 -140500.0 11.104 0.0 6.798208 7.838688 -4.894322 167.716224 1800.00 molybdenum oxid,cr MoO2.750 need abbrev Mo(1)O(2).(750) JA98 13.Aug.24 -152158.9 -169314.5 16.715 0.0 3.278507 13.073834 -5.486945 272.131243 1500.00 molybdenum oxid,cr MoO2.875 need abbrev Mo(1)O(2).(875) JA98 13.Aug.24 -155990.0 -173787.8 17.650 0.0 2.390914 14.044840 -5.684956 296.123276 1500.00 molybdenum oxid,cr MoO2.889 need abbrev Mo(1)O(2).(889) JA98 13.Aug.24 -156419.9 -174274.6 17.754 0.0 2.291745 14.152944 -5.707051 298.802037 1500.00 molybdenum oxid,cr MoO3 need abbrev Mo(1)O(3) JA98 13.Aug.24 -159674.7 -178099.9 18.585 0.0 1.567908 14.997201 -5.860275 318.662698 1500.00 molybdenum sulf,cr MoS2 need abbrev Mo(1)S(2) JA98 13.Aug.24 -63851.8 -66000.0 14.955 0.0 17.152188 1.776088 -2.199235 -0.338920 1800.00 molybdenum sulf,cr Mo2S3 need abbrev Mo(2)S(3) JA98 13.Aug.24 -94563.6 -97300.0 27.480 0.0 26.358914 7.880279 -2.300442 0.025178 1800.00 vanadium nitrid,cr VN0.465 need abbrev N(0).(465)V(1) JA98 13.Aug.24 -28273.7 -31599.9 6.384 0.0 7.487663 2.766462 -1.253222 -0.015967 1800.00 titanium nitrid,cr TiN need abbrev N(1)Ti(1) JA98 13.Aug.24 -73835.8 -80700.0 7.226 0.0 6.388202 2.798501 -4.663304 118.661728 1800.00 vanadium nitrid,cr VN need abbrev N(1)V(1) JA98 13.Aug.24 -45666.3 -51900.1 8.906 0.0 10.753098 2.334116 -2.004663 -1.817300 1800.00 zirconium nitri,cr ZrN need abbrev N(1)Zr(1) JA98 13.Aug.24 -80472.5 -87300.0 9.288 0.0 11.103782 1.679061 -1.718108 -0.093990 1800.00 nitrogen oxide,cr N2O4 need abbrev N(2)O(4) JA98 13.Aug.24 nan 999999.0 35.920 0.0 492.240105 -250.327824 57.896500 -7831.488048 500.00 silicon nitride,cr Si3N4 need abbrev N(4)Si(3) JA98 13.Aug.24 -154718.7 -178000.0 27.000 0.0 70.540218 -1.457845 11.527171 -1021.939310 1800.00 phosphorus nitr,cr P3N5 need abbrev N(5)P(3) JA98 13.Aug.24 -46721.3 -76518.9 44.000 0.0 113.676391 -11.442376 -3.788374 -1215.977154 1500.00 sodium,cr Na need abbrev Na(1) JA98 13.Aug.24 0.0 0.0 12.298 0.0 1.479476 1.780998 -4.228727 162.997282 1000.00 sodium superoxi,cr NaO2 need abbrev Na(1)O(2) JA98 13.Aug.24 -52273.4 -62300.0 27.700 0.0 15.399501 9.471784 0.384422 -24.340547 1800.00 sodium oxide,cr Na2O need abbrev Na(2)O(1) JA98 13.Aug.24 -90604.7 -99900.1 17.935 0.0 30.695744 -0.005392 0.492728 -254.890670 1800.00 sodium peroxide,cr Na2O2 need abbrev Na(2)O(2) JA98 13.Aug.24 -107463.4 -122659.9 22.658 0.0 39.403192 -3.431483 -1.413437 -268.662956 1800.00 sodium silicate,cr Na2SiO3 need abbrev Na(2)O(3)Si(1) JA98 13.Aug.24 -350700.3 -373190.0 27.210 0.0 46.163243 5.028103 -1.376468 -334.421875 1800.00 sodium sulfate,,cr Na2SO4 need abbrev Na(2)O(4)S(1) JA98 13.Aug.24 -302434.8 -329659.2 39.009 0.0 -7.623507 34.989184 -6.631837 724.955168 1500.00 sodium sulfate,,cr Na2SO4 need abbrev Na(2)O(4)S(1) JA98 13.Aug.24 -302598.9 -330042.8 38.272 0.0 30.664147 15.792757 0.288978 42.717457 1500.00 sodium sulfate,,cr Na2SO4 need abbrev Na(2)O(4)S(1) JA98 13.Aug.24 -303171.8 -330988.0 37.024 0.0 13.210438 63.899867 5.379497 -127.998510 1000.00 sodium sulfate,,cr Na2SO4 need abbrev Na(2)O(4)S(1) JA98 13.Aug.24 -303479.7 -331634.6 35.888 0.0 34.189660 22.269997 -1.137204 -154.086239 1000.00 sodium sulfate,,cr Na2SO4 need abbrev Na(2)O(4)S(1) JA98 13.Aug.24 -303501.2 -331696.0 35.754 0.0 34.191174 22.270422 -1.135333 -154.150042 1000.00 sodium tungsten,cr Na2WO4 need abbrev Na(2)O(4)W(1) JA98 13.Aug.24 -341727.1 -369200.0 38.320 0.0 23.373850 25.543841 -4.241398 124.071498 1500.00 sodium silicate,cr Na2Si2O5 need abbrev Na(2)O(5)Si(2) JA98 13.Aug.24 -555488.3 -590359.9 39.210 0.0 155.833018 -14.005063 30.683413 -2555.878328 1800.00 sodium sulfide,cr Na2S need abbrev Na(2)S(1) JA98 13.Aug.24 -84740.0 -87500.0 23.000 0.0 172.987893 -28.550934 67.189919 -3776.764693 1800.00 sodium sulfide,,cr Na2S2 need abbrev Na(2)S(2) JA98 13.Aug.24 -93731.6 -94900.1 36.000 0.0 19.605084 13.318085 0.001887 -0.108718 1000.00 niobium,cr Nb need abbrev Nb(1) JA98 13.Aug.24 0.0 0.0 8.715 0.0 4.545111 1.340770 -0.529579 26.663782 1800.00 niobium oxide,cr NbO need abbrev Nb(1)O(1) JA98 13.Aug.24 -93671.8 -100300.0 11.000 0.0 10.277089 2.118479 -0.962922 0.017261 1800.00 niobium oxide,cr NbO2 need abbrev Nb(1)O(2) JA98 13.Aug.24 -176667.1 -190000.0 13.027 0.0 70.169067 -12.783627 15.419329 -1205.453338 1800.00 niobium oxide,cr Nb2O5 need abbrev Nb(2)O(5) JA98 13.Aug.24 -422040.4 -454000.0 32.815 0.0 62.363463 -3.142450 1.911913 -553.046211 1800.00 nickel,cr Ni need abbrev Ni(1) JA98 13.Aug.24 0.0 0.0 7.139 0.0 -5.065485 4.070436 -7.164912 307.514025 1800.00 nickel sulfide,cr NiS need abbrev Ni(1)S(1) JA98 13.Aug.24 -20363.3 -21000.0 12.665 0.0 -1.412644 9.230688 -3.488028 239.325936 1700.00 nickel sulfide,cr NiS2 need abbrev Ni(1)S(2) JA98 13.Aug.24 -29831.0 -31400.1 17.200 0.0 15.400922 4.960061 0.000231 -0.000945 1800.00 nickel sulfide,cr Ni3S2 need abbrev Ni(3)S(2) JA98 13.Aug.24 -50286.6 -51700.0 32.000 0.0 144.088863 -21.665685 38.159036 -2623.212784 1600.00 nickel sulfide,cr Ni3S4 need abbrev Ni(3)S(4) JA98 13.Aug.24 -69734.0 -71968.2 44.570 0.0 29.166379 34.331116 0.004415 -0.290831 1100.00 lead oxide, red,cr PbO need abbrev O(1)Pb(1) JA98 13.Aug.24 -45239.7 -52440.0 15.850 0.0 9.928426 3.222674 -2.498802 49.164342 1400.00 lead oxide, yel,cr PbO need abbrev O(1)Pb(1) JA98 13.Aug.24 -45087.7 -52118.1 16.420 0.0 10.819093 3.068081 -0.685120 -0.404400 1500.00 strontium oxide,cr SrO need abbrev O(1)Sr(1) JA98 13.Aug.24 -134178.3 -141500.0 13.270 0.0 13.114981 1.348908 -0.762574 -31.214587 1800.00 titanium oxide,,cr TiO need abbrev O(1)Ti(1) JA98 13.Aug.24 -122676.4 -129700.0 8.310 0.0 10.266778 4.159058 -1.487973 -4.932217 1800.00 titanium oxide,,cr TiO need abbrev O(1)Ti(1) JA98 13.Aug.24 -121912.0 -128700.0 9.101 0.0 10.275937 4.156753 -1.484350 -5.147572 1800.00 vanadium oxide,cr VO need abbrev O(1)V(1) JA98 13.Aug.24 -96608.5 -103200.0 9.324 0.0 10.524508 3.736850 -1.143297 9.360521 1800.00 lead oxide,cr PbO2 need abbrev O(2)Pb(1) JA98 13.Aug.24 -51481.1 -65599.9 17.160 0.0 29.056074 -2.569215 0.178217 -239.507725 1200.00 silicon oxide, ,cr SiO2 need abbrev O(2)Si(1) JA98 13.Aug.24 -204023.9 -216417.1 11.963 0.0 17.394263 0.307579 -9.896672 -0.000286 1800.00 silicon oxide, ,cr SiO2 need abbrev O(2)Si(1) JA98 13.Aug.24 -204232.6 -217099.9 10.372 0.0 32.964053 -3.938783 1.480708 -392.152055 1000.00 silicon oxide, ,cr SiO2 need abbrev O(2)Si(1) JA98 13.Aug.24 -204694.8 -217700.0 9.910 0.0 19.040380 0.353424 -4.521121 -61.280051 1800.00 titanium oxide,,cr TiO2 need abbrev O(2)Ti(1) JA98 13.Aug.24 -211105.6 -224359.9 11.928 0.0 21.641953 -0.560049 -2.814206 -88.244638 1800.00 titanium oxide,,cr TiO2 need abbrev O(2)Ti(1) JA98 13.Aug.24 -212573.1 -225800.0 12.020 0.0 20.951407 -0.083032 -2.458611 -86.363941 1800.00 tungsten oxide,cr WO2 need abbrev O(2)W(1) JA98 13.Aug.24 -127594.6 -140940.0 12.076 0.0 5.106770 6.299772 -7.173171 247.182643 1800.00 tungsten oxide,cr WO2.72 need abbrev O(2).(72)W(1) JA98 13.Aug.24 -169367.1 -186700.0 16.354 0.0 23.217916 2.117451 -3.000300 -72.529015 1800.00 tungsten oxide,cr WO2.90 need abbrev O(2).(90)W(1) JA98 13.Aug.24 -177703.9 -196000.0 17.536 0.0 25.841655 1.565243 -2.725976 -107.505572 1800.00 tungsten oxide,cr WO2.96 need abbrev O(2).(96)W(1) JA98 13.Aug.24 -180933.8 -199560.0 17.900 0.0 27.010147 1.351552 -2.504123 -126.546453 1800.00 zirconium oxide,cr ZrO2 need abbrev O(2)Zr(1) JA98 13.Aug.24 -248500.0 -262300.0 12.036 0.0 33.787818 -4.058726 2.046897 -369.392571 1800.00 lead silicate,cr PbSiO3 need abbrev O(3)Pb(1)Si(1) JA98 13.Aug.24 -253607.6 -273659.9 26.273 0.0 46.164868 -2.353840 -0.862609 -397.562922 1800.00 titanium oxide,cr Ti2O3 need abbrev O(3)Ti(2) JA98 13.Aug.24 -342693.4 -363500.0 18.464 0.0 26.772083 2.868165 -15.423092 216.518751 1800.00 vanadium oxide,cr V2O3 need abbrev O(3)V(2) JA98 13.Aug.24 -272236.1 -291300.0 23.439 0.0 13.617081 9.906155 -9.390904 329.141464 1800.00 tungsten oxide,cr WO3 need abbrev O(3)W(1) JA98 13.Aug.24 -182614.0 -201460.1 18.143 0.0 19.614214 2.993086 -5.736838 57.232676 1800.00 lead silicate,cr Pb2SiO4 need abbrev O(4)Pb(2)Si(1) JA98 13.Aug.24 -302821.9 -329320.0 44.654 0.0 64.273599 -2.376556 -0.384538 -526.652795 1800.00 lead oxide,cr Pb3O4 need abbrev O(4)Pb(3) JA98 13.Aug.24 -143787.3 -171770.1 50.660 0.0 31.254370 11.564139 -10.856769 250.275192 1500.00 zinc sulfate,cr ZnSO4 need abbrev O(4)S(1)Zn(1) JA98 13.Aug.24 -207642.7 -234260.0 26.420 0.0 34.423702 -0.094463 -11.517325 35.348545 1800.00 zirconium silic,cr ZrSiO4 need abbrev O(4)Si(1)Zr(1) JA98 13.Aug.24 -456375.5 -483735.9 20.083 0.0 58.711651 -5.030634 0.210014 -585.184800 1800.00 vanadium oxide,cr V2O4 need abbrev O(4)V(2) JA98 13.Aug.24 -315115.9 -341099.9 24.743 0.0 30.038733 5.453906 -9.921206 122.693806 1800.00 tantalum oxide,cr Ta2O5 need abbrev O(5)Ta(2) JA98 13.Aug.24 -456740.9 -489000.0 34.205 0.0 63.395878 -1.580846 2.976322 -587.071241 1800.00 titanium oxide,,cr Ti3O5 need abbrev O(5)Ti(3) JA98 13.Aug.24 -553846.3 -587750.0 30.920 0.0 43.753496 5.086882 -14.013934 129.881611 1500.00 titanium oxide,,cr Ti3O5 need abbrev O(5)Ti(3) JA98 13.Aug.24 -552762.7 -584653.2 37.671 0.0 37.999796 12.000041 -0.000112 0.005606 1800.00 vanadium oxide,cr V2O5 need abbrev O(5)V(2) JA98 13.Aug.24 -339232.3 -370599.9 31.202 0.0 36.286369 6.523794 -9.658054 65.948316 1500.00 titanium oxide,cr Ti4O7 need abbrev O(7)Ti(4) JA98 13.Aug.24 -767929.3 -813700.0 47.500 0.0 85.203007 0.337422 -8.423565 -449.878298 1800.00 phosphorus oxid,cr (P2O5)2 need abbrev O(10)P(4) JA98 13.Aug.24 -650892.7 -719392.0 54.680 0.0 231.490573 -9.420508 37.894095 -3806.934294 1500.00 phosphorus, whi,cr P need abbrev P(1) JA98 13.Aug.24 0.0 0.0 9.818 0.0 7.006955 -0.507121 -0.871784 -3.209467 1000.00 phosphorus, red,cr P need abbrev P(1) JA98 13.Aug.24 -1698.9 -2973.0 5.544 0.0 1.233055 4.392353 -1.031018 63.903126 1000.00 phosphorus, red,cr P need abbrev P(1) JA98 13.Aug.24 -2874.3 -4173.0 5.462 0.0 29.934036 -6.323809 6.616350 -523.840355 1000.00 phosphorus, bla,cr P need abbrev P(1) JA98 13.Aug.24 -1753.8 -3071.5 5.398 0.0 1.289413 4.397022 -1.035411 64.173409 1000.00 phosphorus sulf,cr P4S3 need abbrev P(4)S(3) JA98 13.Aug.24 -49441.7 -53691.9 48.000 0.0 35.000000 0.000000 0.000000 0.000000 1800.00 lead,cr Pb need abbrev Pb(1) JA98 13.Aug.24 0.0 0.0 15.484 0.0 5.279198 2.437292 -0.016491 7.436601 1500.00 lead sulfide,cr PbS need abbrev Pb(1)S(1) JA98 13.Aug.24 -23108.3 -23500.0 21.832 0.0 11.838650 2.035304 0.179570 -14.307864 1800.00 rubidium,cr Rb need abbrev Rb(1) JA98 13.Aug.24 0.0 0.0 18.350 0.0 0.348004 22.306466 -0.110052 9.404487 600.00 sulfur, orthorh,cr S need abbrev S(1) JA98 13.Aug.24 0.0 0.0 7.662 0.0 3.076953 5.263502 -0.278170 18.870646 800.00 sulfur, monocli,cr S need abbrev S(1) JA98 13.Aug.24 16.7 86.0 7.894 0.0 2.828769 5.241992 -0.416470 28.145085 800.00 strontium sulfi,cr SrS need abbrev S(1)Sr(1) JA98 13.Aug.24 -110621.9 -112000.0 16.350 0.0 14.517787 0.682583 0.145782 -56.268655 1800.00 silicon sulfide,cr SiS2 need abbrev S(2)Si(1) JA98 13.Aug.24 -50814.8 -51000.0 19.200 0.0 17.264619 2.780923 -0.287478 12.790673 1800.00 silicon,cr Si need abbrev Si(1) JA98 13.Aug.24 0.0 0.0 4.498 0.0 5.415905 0.937417 -0.854254 0.754359 1800.00 strontium, alph,cr Sr need abbrev Sr(1) JA98 13.Aug.24 0.0 0.0 13.311 0.0 4.433069 3.028295 -0.232919 22.913437 1500.00 strontium, beta,cr Sr need abbrev Sr(1) JA98 13.Aug.24 184.0 289.4 13.665 0.0 6.299474 1.000126 -0.000228 0.012788 1500.00 tantalum,cr Ta need abbrev Ta(1) JA98 13.Aug.24 0.0 0.0 9.912 0.0 6.793301 0.426116 0.067537 -16.445230 1800.00 titanium, alpha,cr Ti need abbrev Ti(1) JA98 13.Aug.24 0.0 0.0 7.352 0.0 -34.760618 17.066725 -11.644726 839.429684 1700.00 titanium, beta,cr Ti need abbrev Ti(1) JA98 13.Aug.24 1115.0 1639.6 9.111 0.0 0.976489 2.947366 -1.328742 92.247886 1800.00 vanadium,cr V need abbrev V(1) JA98 13.Aug.24 0.0 0.0 6.916 0.0 0.517702 3.355645 -1.761760 110.539472 1800.00 tungsten,cr W need abbrev W(1) JA98 13.Aug.24 0.0 0.0 7.806 0.0 5.046914 1.207522 -0.219408 11.192457 1800.00 zinc,cr Zn need abbrev Zn(1) JA98 13.Aug.24 0.0 0.0 9.971 0.0 2.520684 4.249435 -0.302992 45.285897 1000.00 zirconium, alph,cr Zr need abbrev Zr(1) JA98 13.Aug.24 0.0 0.0 9.290 0.0 3.684588 2.915093 -0.096852 27.554375 1700.00 zirconium, beta,cr Zr need abbrev Zr(1) JA98 13.Aug.24 841.5 1149.6 10.323 0.0 3.444676 1.497453 -1.331043 61.686169 1800.00