aluminum,cr,l Al need abbrev Al(1) JA98 13.Aug.24 0.0 0.0 6.758 need vol 16.893122 -2.248673 2.669059 -231.478497 1800.00 aluminum bromid,cr,l AlBr3 need abbrev Al(1)Br(3) JA98 13.Aug.24 -116757.9 -122200.0 43.073 0.0 -6.985399 9.438781 -22.760695 931.104576 1500.00 aluminum chlori,cr,l AlCl3 need abbrev Al(1)Cl(3) JA98 13.Aug.24 -150577.9 -168650.1 26.120 0.0 37.092886 -3.247292 -8.729766 -83.638159 1500.00 aluminum fluori,cr,l 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 lithium hexaflu,cr,l Li3AlF6 need abbrev Al(1)F(6)Li(3) JA98 13.Aug.24 -770504.3 -808700.0 44.907 0.0 159.878218 -6.861841 34.177606 -2536.840683 1800.00 cryolite,cr,l Na3AlF6 need abbrev Al(1)F(6)Na(3) JA98 13.Aug.24 -753386.2 -792760.0 56.995 0.0 38.747046 33.931399 0.517536 46.504694 1800.00 aluminum iodide,cr,l AlI3 need abbrev Al(1)I(3) JA98 13.Aug.24 -71945.0 -72400.1 46.870 0.0 21.907661 1.129471 -10.449525 224.506420 1500.00 lithium aluminu,cr,l 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 beryllium alumi,cr,l 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 magnesium alumi,cr,l 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,l 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 chiolite,cr,l Na5Al3F14 need abbrev Al(3)F(14)Na(5) JA98 13.Aug.24 -1720924.5 -1812000.0 115.570 0.0 430.673556 9.704075 161.334079 -8662.647537 1800.00 beryllium alumi,cr,l 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 boron,cr,l 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,l KBF4 need abbrev B(1)F(4)K(1) JA98 13.Aug.24 -426615.2 -451000.0 32.000 0.0 60.664954 -3.927440 0.395993 -561.165466 1500.00 potassium borat,cr,l KBO2 need abbrev B(1)K(1)O(2) JA98 13.Aug.24 -223856.6 -237800.0 19.116 0.0 14.964876 12.964000 -0.237230 -41.123980 1800.00 lithium borate,cr,l LiBO2 need abbrev B(1)Li(1)O(2) JA98 13.Aug.24 -230179.3 -243599.9 12.364 0.0 68.326758 -1.356445 19.043735 -1285.893690 1800.00 sodium borate,cr,l NaBO2 need abbrev B(1)Na(1)O(2) JA98 13.Aug.24 -219739.2 -233200.0 17.576 0.0 12.081865 13.937316 -0.883778 11.606055 1800.00 boron oxide,cr,l B2O3 need abbrev B(2)O(3) JA98 13.Aug.24 -285085.1 -304000.0 12.895 0.0 99.533857 -16.539384 16.923672 -1703.992274 1800.00 titanium boride,cr,l 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,l 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 potassium borat,cr,l K2B4O7 need abbrev B(4)K(2)O(7) JA98 13.Aug.24 -749702.7 -796900.1 49.800 0.0 109.247164 40.031458 39.079762 -2117.712074 1800.00 lithium borate,cr,l Li2B4O7 need abbrev B(4)Li(2)O(7) JA98 13.Aug.24 -757717.7 -803599.9 37.200 0.0 135.828002 28.264543 52.579619 -2734.349686 1800.00 sodium borate,cr,l Na2B4O7 need abbrev B(4)Na(2)O(7) JA98 13.Aug.24 -736501.4 -783159.9 45.289 0.0 227.257106 -3.876240 80.270287 -4654.595307 1800.00 potassium borat,cr,l K2B8O13 need abbrev B(8)K(2)O(13) JA98 13.Aug.24 -1334286.1 -1420919.9 70.200 0.0 352.142989 -24.127180 87.970000 -6317.781990 1800.00 decaborane,cr,l B10H14 need abbrev B(10)H(14) JA98 13.Aug.24 49860.7 -6900.1 42.200 0.0 194.774400 -0.054206 -2.120472 -2401.009676 1500.00 barium,cr,l Ba need abbrev Ba(1) JA98 13.Aug.24 0.0 0.0 14.932 0.0 8.718684 -0.645916 -5.604148 72.887502 1800.00 barium bromide,cr,l BaBr2 need abbrev Ba(1)Br(2) JA98 13.Aug.24 -176386.2 -181099.9 35.500 0.0 39.134171 -0.924182 8.364237 -512.839291 1800.00 barium chloride,cr,l BaCl2 need abbrev Ba(1)Cl(2) JA98 13.Aug.24 -193664.0 -205200.0 29.557 0.0 68.707554 -7.143959 21.888745 -1256.322640 1800.00 barium fluoride,cr,l BaF2 need abbrev Ba(1)F(2) JA98 13.Aug.24 -276866.6 -288900.1 23.039 0.0 206.650221 -45.111889 72.028647 -4413.122681 1800.00 barium hydroxid,cr,l Ba(OH)2 need abbrev Ba(1)H(2)O(2) JA98 13.Aug.24 -205419.7 -226169.9 25.600 0.0 68.273004 -8.735308 5.976620 -832.011819 1800.00 barium iodide,cr,l BaI2 need abbrev Ba(1)I(2) JA98 13.Aug.24 -143739.7 -144700.0 39.470 0.0 64.857320 -6.260206 19.074872 -1132.444208 1800.00 barium oxide,cr,l 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 beryllium,cr,l Be need abbrev Be(1) JA98 13.Aug.24 0.0 0.0 2.256 0.0 13.009943 -0.939032 1.271322 -175.636229 1800.00 beryllium chlor,cr,l BeCl2 need abbrev Be(1)Cl(2) JA98 13.Aug.24 -106657.3 -117335.1 19.760 0.0 112.832770 -20.225600 26.687665 -2094.895116 1800.00 beryllium fluor,cr,l BeF2 need abbrev Be(1)F(2) JA98 13.Aug.24 -234078.6 -245400.1 12.752 0.0 -2.552254 11.582807 -9.123660 376.756371 1800.00 lithium trifluo,cr,l LiBeF3 need abbrev Be(1)F(3)Li(1) JA98 13.Aug.24 -376738.3 -394800.0 21.330 0.0 105.284015 -17.201630 13.081459 -1610.559367 1800.00 lithium tetrafl,cr,l Li2BeF4 need abbrev Be(1)F(4)Li(2) JA98 13.Aug.24 -518986.1 -543400.1 31.210 0.0 178.057052 -29.538629 35.804128 -3060.822119 1800.00 beryllium iodid,cr,l BeI2 need abbrev Be(1)I(2) JA98 13.Aug.24 -44737.8 -45099.9 28.800 0.0 95.354978 -16.522303 23.525231 -1729.184285 1500.00 beryllium oxide,cr,l 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 nitri,cr,l 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 potassium bromi,cr,l KBr need abbrev Br(1)K(1) JA98 13.Aug.24 -90925.2 -94120.0 22.930 0.0 40.175031 -4.757601 10.006170 -645.260529 1800.00 lithium bromide,cr,l LiBr need abbrev Br(1)Li(1) JA98 13.Aug.24 -81651.5 -83870.0 17.700 0.0 38.896243 -5.674154 7.095002 -578.429202 1800.00 sodium bromide,cr,l NaBr need abbrev Br(1)Na(1) JA98 13.Aug.24 -83476.8 -86380.0 20.750 0.0 25.318005 -2.166831 3.526383 -281.625977 1800.00 bromine,cr,l Br2 need abbrev Br(2) JA98 13.Aug.24 0.0 0.0 36.378 0.0 37.597467 -10.434537 3.665333 -354.435531 500.00 calcium bromide,cr,l CaBr2 need abbrev Br(2)Ca(1) JA98 13.Aug.24 -158733.0 -163300.0 31.000 0.0 49.023907 -1.312453 14.739142 -809.746354 1800.00 iron bromide,cr,l FeBr2 need abbrev Br(2)Fe(1) JA98 13.Aug.24 -56730.9 -59500.0 33.620 0.0 56.567538 -5.813808 14.071165 -885.096891 1800.00 mercury bromide,cr,l HgBr2 need abbrev Br(2)Hg(1) JA98 13.Aug.24 -36372.6 -40500.0 40.706 0.0 66.599281 -12.294782 9.261211 -958.889353 1500.00 magnesium bromi,cr,l MgBr2 need abbrev Br(2)Mg(1) JA98 13.Aug.24 -120473.9 -125300.0 28.000 0.0 53.023808 -4.576527 13.121187 -839.968417 1800.00 lead bromide,cr,l PbBr2 need abbrev Br(2)Pb(1) JA98 13.Aug.24 -62319.1 -66300.0 38.511 0.0 79.539566 -12.933944 16.779044 -1306.330809 1800.00 strontium bromi,cr,l SrBr2 need abbrev Br(2)Sr(1) JA98 13.Aug.24 -167006.5 -171599.9 34.283 0.0 85.177249 -11.276410 26.379226 -1600.789646 1800.00 zirconium bromi,cr,l ZrBr2 need abbrev Br(2)Zr(1) JA98 13.Aug.24 -91342.7 -96700.0 27.700 0.0 27.325426 -1.624376 0.739620 -120.552408 1800.00 titanium bromid,cr,l TiBr4 need abbrev Br(4)Ti(1) JA98 13.Aug.24 -141176.1 -147700.0 58.227 0.0 -41.235379 26.480511 -30.279421 1719.110178 1000.00 niobium bromide,cr,l NbBr5 need abbrev Br(5)Nb(1) JA98 13.Aug.24 -121626.9 -132900.1 61.850 0.0 698.856001 -269.301097 156.292322 -13101.865606 900.00 tungsten bromid,cr,l WBr5 need abbrev Br(5)W(1) JA98 13.Aug.24 -64437.1 -74500.0 65.000 0.0 99.558653 -22.697335 6.444249 -1087.188231 1000.00 boron carbide,cr,l 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,l 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 potassium cyani,cr,l KCN need abbrev C(1)K(1)N(1) JA98 13.Aug.24 -24381.2 -27120.0 30.540 0.0 32.607097 -2.769108 7.323762 -414.937502 1800.00 potassium carbo,cr,l K2CO3 need abbrev C(1)K(2)O(3) JA98 13.Aug.24 -254428.3 -274900.1 37.170 0.0 128.717184 -14.405362 30.199006 -2255.852558 1800.00 lithium carbona,cr,l Li2CO3 need abbrev C(1)Li(2)O(3) JA98 13.Aug.24 -270583.2 -290640.1 21.551 0.0 135.066378 -20.788501 25.722331 -2325.952422 1800.00 sodium cyanide,cr,l NaCN need abbrev C(1)N(1)Na(1) JA98 13.Aug.24 nan 999999.0 28.314 0.0 37.545362 -3.639986 9.001863 -518.681052 1800.00 sodium carbonat,cr,l NaCO3 need abbrev C(1)Na(2)O(3) JA98 13.Aug.24 -250480.2 -270260.0 33.173 0.0 96.159742 -10.885768 10.027660 -1343.793438 1800.00 tantalum carbid,cr,l 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,l 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,l 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 calcium,cr,l Ca need abbrev Ca(1) JA98 13.Aug.24 0.0 0.0 9.940 0.0 31.948288 -5.954605 8.004047 -567.389513 1800.00 calcium chlorid,cr,l CaCl2 need abbrev Ca(1)Cl(2) JA98 13.Aug.24 -178793.7 -190200.0 25.000 0.0 42.950697 -1.585753 11.225820 -646.011261 1800.00 calcium fluorid,cr,l CaF2 need abbrev Ca(1)F(2) JA98 13.Aug.24 -280472.3 -293000.0 16.389 0.0 37.024808 1.381709 8.846477 -529.882511 1800.00 calcium iodide,cr,l CaI2 need abbrev Ca(1)I(2) JA98 13.Aug.24 -127413.2 -128300.0 34.724 0.0 44.870708 -2.731270 10.461738 -642.233969 1800.00 calcium oxide,cr,l 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 cesium chloride,cr,l CsCl need abbrev Cl(1)Cs(1) JA98 13.Aug.24 -99034.4 -105840.1 24.183 0.0 45.546447 -4.901625 12.309779 -780.379929 1800.00 copper chloride,cr,l CuCl need abbrev Cl(1)Cu(1) JA98 13.Aug.24 -28890.1 -33000.0 20.800 0.0 22.454488 -1.675006 -1.577843 -147.718852 1800.00 iodine chloride,cr,l ICl need abbrev Cl(1)I(1) JA98 13.Aug.24 -3357.8 -8466.1 23.405 0.0 -96.852668 31.389981 -52.267132 2800.187604 1000.00 potassium chlor,cr,l KCl need abbrev Cl(1)K(1) JA98 13.Aug.24 -97696.2 -104370.0 19.731 0.0 41.393933 -4.216666 11.075672 -693.361847 1800.00 lithium chlorid,cr,l LiCl need abbrev Cl(1)Li(1) JA98 13.Aug.24 -91782.7 -97577.9 14.173 0.0 44.265015 -8.433500 8.352261 -684.154665 1800.00 lithium perchlo,cr,l LiClO4 need abbrev Cl(1)Li(1)O(4) JA98 13.Aug.24 -60686.2 -91000.0 30.000 0.0 46.540623 -3.976366 -14.628470 -70.000458 1500.00 sodium chloride,cr,l NaCl need abbrev Cl(1)Na(1) JA98 13.Aug.24 -91783.9 -98260.0 17.236 0.0 41.897134 -5.661015 10.251568 -682.572787 1800.00 cobalt chloride,cr,l CoCl2 need abbrev Cl(2)Co(1) JA98 13.Aug.24 -64447.2 -74700.0 26.115 0.0 33.264318 -0.651383 5.160916 -344.803961 1800.00 iron chloride,cr,l FeCl2 need abbrev Cl(2)Fe(1) JA98 13.Aug.24 -72261.5 -81700.0 28.190 0.0 47.686649 -3.789171 11.049955 -698.273628 1800.00 mercury chlorid,cr,l HgCl2 need abbrev Cl(2)Hg(1) JA98 13.Aug.24 -43982.3 -55000.0 34.535 0.0 74.580612 -14.458527 12.327836 -1150.617878 1500.00 magnesium chlor,cr,l MgCl2 need abbrev Cl(2)Mg(1) JA98 13.Aug.24 -141512.2 -153349.9 21.422 0.0 37.862064 -2.896190 5.753763 -453.926926 1800.00 nickel chloride,cr,l NiCl2 need abbrev Cl(2)Ni(1) JA98 13.Aug.24 -61849.7 -72880.0 23.460 0.0 15.210935 5.436947 -0.186828 11.108916 1800.00 lead chloride,cr,l PbCl2 need abbrev Cl(2)Pb(1) JA98 13.Aug.24 -75076.7 -85900.1 32.500 0.0 83.308195 -12.963870 21.236988 -1463.490415 1800.00 strontium chlor,cr,l SrCl2 need abbrev Cl(2)Sr(1) JA98 13.Aug.24 -186416.1 -198099.9 27.440 0.0 96.824143 -17.202926 27.354508 -1796.478625 1800.00 zirconium chlor,cr,l ZrCl2 need abbrev Cl(2)Zr(1) JA98 13.Aug.24 -92175.0 -103000.0 26.300 0.0 34.817597 -2.266702 4.820431 -382.010020 1800.00 iron chloride,cr,l FeCl3 need abbrev Cl(3)Fe(1) JA98 13.Aug.24 -79811.2 -95460.1 34.019 0.0 59.514262 -8.750696 -0.597815 -576.322227 1500.00 molybdenum chlo,cr,l MoCl4 need abbrev Cl(4)Mo(1) JA98 13.Aug.24 -96119.5 -114000.0 53.500 0.0 43.301526 -2.923328 -2.236878 -156.213589 1500.00 tungsten chlori,cr,l OWCl4 need abbrev Cl(4)O(1)W(1) JA98 13.Aug.24 -131283.9 -160400.1 41.300 0.0 113.622726 -28.776245 6.797809 -1345.349300 1000.00 titanium chlori,cr,l TiCl4 need abbrev Cl(4)Ti(1) JA98 13.Aug.24 -176199.6 -192200.0 60.320 0.0 33.897113 2.228592 -0.067055 3.770073 1000.00 molybdenum chlo,cr,l MoCl5 need abbrev Cl(5)Mo(1) JA98 13.Aug.24 -101214.9 -126000.0 57.000 0.0 24.305813 4.320099 -13.758726 465.844737 1200.00 niobium chlorid,cr,l NbCl5 need abbrev Cl(5)Nb(1) JA98 13.Aug.24 -163513.6 -190599.9 51.160 0.0 945.586957 -402.272649 187.499453 -17289.249726 800.00 tantalum chlori,cr,l TaCl5 need abbrev Cl(5)Ta(1) JA98 13.Aug.24 -178405.4 -205300.0 53.000 0.0 928.835052 -393.141884 185.586906 -17009.322971 800.00 tungsten chlori,cr,l WCl5 need abbrev Cl(5)W(1) JA98 13.Aug.24 -96035.1 -122599.9 52.000 0.0 36.323858 0.955931 -11.926981 238.788607 1500.00 tungsten chlori,cr,l WCl6 need abbrev Cl(6)W(1) JA98 13.Aug.24 -108877.6 -141900.1 57.000 0.0 20.919980 6.909859 -18.652528 689.872554 1500.00 cobalt,cr,l Co need abbrev Co(1) JA98 13.Aug.24 0.0 0.0 7.186 0.0 42.512052 -7.180897 13.835371 -855.158202 1800.00 cobalt fluoride,cr,l CoF2 need abbrev Co(1)F(2) JA98 13.Aug.24 -149751.9 -160500.0 19.605 0.0 -16.798608 13.745091 -13.981921 773.069114 1800.00 chromium,cr,l 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 oxide,cr,l 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,l Cs need abbrev Cs(1) JA98 13.Aug.24 0.0 0.0 20.351 0.0 6.973086 0.263011 0.399700 4.155090 1500.00 cesium fluoride,cr,l CsF need abbrev Cs(1)F(1) JA98 13.Aug.24 -125568.1 -132570.0 21.100 0.0 42.259420 -4.516510 11.102950 -704.692568 1800.00 cesium hydroxid,cr,l CsOH need abbrev Cs(1)H(1)O(1) JA98 13.Aug.24 -88603.3 -99599.9 23.600 0.0 13.082511 1.121698 -7.768302 195.613474 1800.00 cesium sulfate,cr,l Cs2SO4 need abbrev Cs(2)O(4)S(1) JA98 13.Aug.24 -316241.6 -344800.0 50.640 0.0 149.251322 -25.364495 25.806525 -2389.954496 1800.00 copper,cr,l Cu need abbrev Cu(1) JA98 13.Aug.24 0.0 0.0 7.926 0.0 8.276808 0.767246 1.098827 -66.282582 1800.00 copper fluoride,cr,l CuF2 need abbrev Cu(1)F(2) JA98 13.Aug.24 -117505.3 -128800.0 18.511 0.0 37.395337 -1.468932 4.078242 -445.579348 1800.00 copper oxide,cr,l Cu2O need abbrev Cu(2)O(1) JA98 13.Aug.24 -35345.6 -40800.0 22.075 0.0 7.631762 7.564527 -3.310744 151.891489 1800.00 potassium fluor,cr,l KF need abbrev F(1)K(1) JA98 13.Aug.24 -128808.3 -135900.1 15.905 0.0 28.832540 -0.732321 7.003399 -425.368263 1800.00 lithium fluorid,cr,l LiF need abbrev F(1)Li(1) JA98 13.Aug.24 -140693.1 -147450.0 8.523 0.0 29.941021 -2.560455 4.877674 -424.389750 1800.00 sodium fluoride,cr,l NaF need abbrev F(1)Na(1) JA98 13.Aug.24 -130277.5 -137520.1 12.240 0.0 28.789031 -1.367997 6.520146 -420.651127 1800.00 iron fluoride,cr,l FeF2 need abbrev F(2)Fe(1) JA98 13.Aug.24 -158501.0 -168700.0 20.790 0.0 3.098153 8.087660 -5.322833 288.635347 1800.00 potassium fluor,cr,l K(HF2) need abbrev F(2)H(1)K(1) JA98 13.Aug.24 -206284.7 -222570.0 24.920 0.0 23.711262 -0.353959 -9.355938 87.215640 1800.00 mercury fluorid,cr,l HgF2 need abbrev F(2)Hg(1) JA98 13.Aug.24 -89420.2 -101000.0 27.800 0.0 55.547079 -5.762653 14.151631 -891.652508 1800.00 magnesium fluor,cr,l MgF2 need abbrev F(2)Mg(1) JA98 13.Aug.24 -256001.2 -268700.0 13.684 0.0 -0.753228 7.889945 -9.275188 404.461661 1800.00 lead fluoride,cr,l PbF2 need abbrev F(2)Pb(1) JA98 13.Aug.24 -150782.7 -161800.0 27.000 0.0 60.044795 -9.183061 7.074215 -834.597738 1500.00 strontium fluor,cr,l SrF2 need abbrev F(2)Sr(1) JA98 13.Aug.24 -278332.7 -290900.1 19.628 0.0 116.959970 -15.838758 45.328998 -2506.646171 1800.00 zirconium fluor,cr,l ZrF2 need abbrev F(2)Zr(1) JA98 13.Aug.24 -218146.3 -230000.0 18.000 0.0 32.147435 1.067459 5.917942 -400.894840 1800.00 tungsten fluori,cr,l WF4O need abbrev F(4)O(1)W(1) JA98 13.Aug.24 -310243.3 -336259.1 42.000 0.0 -46.671763 27.505459 -47.495179 2134.664364 1000.00 iron,cr,l Fe need abbrev Fe(1) JA98 13.Aug.24 0.0 0.0 6.530 0.0 73.936424 -17.654064 20.306589 -1475.397808 1800.00 iron iodide,cr,l FeI2 need abbrev Fe(1)I(2) JA98 13.Aug.24 -26702.9 -25000.0 40.000 0.0 102.504029 -17.649125 31.029410 -1931.274205 1800.00 iron oxide,cr,l FeO need abbrev Fe(1)O(1) JA98 13.Aug.24 -60093.0 -65020.1 14.520 0.0 9.783383 2.978986 -1.293931 46.467280 1800.00 iron sulfide, t,cr,l FeS need abbrev Fe(1)S(1) JA98 13.Aug.24 -24367.4 -24300.0 14.417 0.0 -59.686870 19.331576 -34.862117 1834.495834 1800.00 gallium,cr,l Ga need abbrev Ga(1) JA98 13.Aug.24 0.0 0.0 9.761 0.0 4.590371 0.437263 -0.759348 43.666650 1800.00 potassium hydro,cr,l KOH need abbrev H(1)K(1)O(1) JA98 13.Aug.24 -90559.0 -101510.0 18.859 0.0 21.193298 -0.590390 -4.535022 -8.419008 1800.00 lithium hydride,cr,l LiH need abbrev H(1)Li(1) JA98 13.Aug.24 -16359.2 -21659.9 4.789 0.0 54.584605 -9.551416 10.892834 -989.296643 1800.00 lithium hydroxi,cr,l LiOH need abbrev H(1)Li(1)O(1) JA98 13.Aug.24 -104913.5 -115900.1 10.234 0.0 61.294701 -9.670673 10.827981 -1013.726509 1800.00 sodium hydroxid,cr,l NaOH need abbrev H(1)Na(1)O(1) JA98 13.Aug.24 -90760.3 -101800.0 15.403 0.0 26.824423 -3.572903 -7.037493 -69.097023 1800.00 strontium hydro,cr,l Sr(OH)2 need abbrev H(2)O(2)Sr(1) JA98 13.Aug.24 -210587.5 -231570.0 23.200 0.0 141.424235 -25.066918 29.845107 -2584.442831 1800.00 sulfuric acid,cr,l O2S(OH)2 need abbrev H(2)O(4)S(1) JA98 13.Aug.24 -164894.4 -194548.0 37.499 0.0 19.738250 46.239474 0.208883 -11.002558 1000.00 phosphoric acid,cr,l H3PO4 need abbrev H(3)O(4)P(1) JA98 13.Aug.24 -268717.5 -306973.0 26.421 0.0 -137.058061 123.032440 -59.626656 3342.740820 1000.00 sulfuric acid, ,cr,l H2SO4.H2O need abbrev H(4)O(5)S(1) JA98 13.Aug.24 -227124.8 -269507.9 50.552 0.0 43.629695 34.875888 1.466434 -77.135912 1000.00 sulfuric acid, ,cr,l H2SO4.2H2O need abbrev H(6)O(6)S(1) JA98 13.Aug.24 -286701.7 -341085.1 66.052 0.0 39.298837 77.797857 0.003330 -0.159951 1000.00 sulfuric acid, ,cr,l H2SO4.3H2O need abbrev H(8)O(7)S(1) JA98 13.Aug.24 -345098.7 -411185.9 82.546 0.0 57.316572 68.318006 0.745968 -39.625171 1000.00 sulfuric acid, ,cr,l H2SO4.4H2O need abbrev H(10)O(8)S(1) JA98 13.Aug.24 -402907.3 -480688.1 99.075 0.0 77.032823 57.113971 0.893571 -47.043715 1000.00 sulfuric acid, ,cr,l H2SO4.6.5H2O need abbrev H(15)O(10).(5)S(1) JA98 13.Aug.24 -546278.9 -653265.1 140.492 0.0 127.029358 30.210614 -0.137730 7.426987 1000.00 hafnium,cr,l 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 mercury,cr,l Hg need abbrev Hg(1) JA98 13.Aug.24 0.0 0.0 18.171 0.0 5.694317 0.860496 0.448883 4.198736 1800.00 mercury iodide,cr,l HgI2 need abbrev Hg(1)I(2) JA98 13.Aug.24 -24427.3 -25200.0 43.338 0.0 62.595396 -11.131628 8.355895 -867.685454 1500.00 mercury iodide,cr,l Hg2I2 need abbrev Hg(2)I(2) JA98 13.Aug.24 -26544.7 -28462.0 57.670 0.0 81.999055 -14.301190 11.287092 -1127.610791 1500.00 potassium iodid,cr,l KI need abbrev I(1)K(1) JA98 13.Aug.24 -77204.6 -78370.0 25.427 0.0 45.474584 -5.864956 11.851231 -765.099606 1800.00 lithium iodide,cr,l LiI need abbrev I(1)Li(1) JA98 13.Aug.24 -64451.5 -64550.0 20.500 0.0 26.469584 -2.990942 1.541913 -265.910215 1800.00 sodium iodide,cr,l NaI need abbrev I(1)Na(1) JA98 13.Aug.24 -68014.3 -68800.0 23.542 0.0 29.046727 -2.637549 5.545880 -378.779911 1800.00 iodine,cr,l I2 need abbrev I(2) JA98 13.Aug.24 0.0 0.0 27.759 0.0 -9.804162 6.965177 -21.176347 761.857409 1000.00 magnesium iodid,cr,l MgI2 need abbrev I(2)Mg(1) JA98 13.Aug.24 -86338.4 -87700.0 31.000 0.0 48.380002 -4.450484 10.284974 -700.236819 1800.00 lead iodide,cr,l PbI2 need abbrev I(2)Pb(1) JA98 13.Aug.24 -41485.9 -41919.9 41.787 0.0 105.411101 -21.260802 27.004367 -1913.628241 1500.00 strontium iodid,cr,l SrI2 need abbrev I(2)Sr(1) JA98 13.Aug.24 -133294.0 -134200.0 38.031 0.0 73.066164 -10.020547 18.863845 -1251.047877 1800.00 zirconium iodid,cr,l ZrI2 need abbrev I(2)Zr(1) JA98 13.Aug.24 -61657.5 -62000.0 35.900 0.0 -13.285388 26.838339 -0.678616 497.129788 1800.00 tetraiodosilane,cr,l SiI4 need abbrev I(4)Si(1) JA98 13.Aug.24 -45802.3 -45300.0 61.700 0.0 104.280348 -34.390358 -12.031311 -946.727408 700.00 titanium iodide,cr,l TiI4 need abbrev I(4)Ti(1) JA98 13.Aug.24 -88596.3 -89800.0 58.831 0.0 12.596285 5.772100 -20.357151 664.733293 1500.00 potassium,cr,l K need abbrev K(1) JA98 13.Aug.24 0.0 0.0 15.457 0.0 -10.580396 6.196591 -5.538427 384.247154 1500.00 potassium silic,cr,l K2SiO3 need abbrev K(2)O(3)Si(1) JA98 13.Aug.24 -347928.5 -370000.0 34.930 0.0 91.108930 -11.405258 8.940938 -1198.789894 1800.00 potassium sulfa,cr,l K2SO4 need abbrev K(2)O(4)S(1) JA98 13.Aug.24 -315390.8 -343620.0 41.956 0.0 125.577059 -18.263922 20.431759 -1926.817670 1800.00 potassium sulfi,cr,l K2S need abbrev K(2)S(1) JA98 13.Aug.24 -86698.1 -90000.0 27.500 0.0 257.967897 -62.505451 83.268043 -5424.810066 1800.00 lithium,cr,l Li need abbrev Li(1) JA98 13.Aug.24 0.0 0.0 6.951 0.0 2.013803 0.936024 -3.950359 137.468866 1800.00 lithium oxide,cr,l 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 silicat,cr,l Li2SiO3 need abbrev Li(2)O(3)Si(1) JA98 13.Aug.24 -372547.6 -394240.0 19.191 0.0 49.130828 0.858792 -0.693391 -422.336692 1800.00 lithium titaniu,cr,l 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,l Li2SO4 need abbrev Li(2)O(4)S(1) JA98 13.Aug.24 -315753.1 -343300.0 27.234 0.0 150.410858 -25.550913 24.231228 -2451.198834 1800.00 lithium silicat,cr,l Li2Si2O5 need abbrev Li(2)O(5)Si(2) JA98 13.Aug.24 -577640.5 -612070.0 30.000 0.0 95.199262 -5.596614 0.030597 -1042.222288 1800.00 magnesium,cr,l Mg need abbrev Mg(1) JA98 13.Aug.24 0.0 0.0 7.809 0.0 18.561496 -2.170713 3.825963 -279.674924 1800.00 magnesium oxide,cr,l 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,l 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,l 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,l MgSO4 need abbrev Mg(1)O(4)S(1) JA98 13.Aug.24 -274237.1 -301574.1 21.844 0.0 93.464221 -11.395840 17.202536 -1487.911840 1800.00 magnesium titan,cr,l 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 silic,cr,l 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,l 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,l Mg2Si need abbrev Mg(2)Si(1) JA98 13.Aug.24 -18416.6 -18599.9 19.500 0.0 29.682525 -0.329948 1.965439 -267.825165 1800.00 magnesium phosp,cr,l Mg3P2O8 need abbrev Mg(3)O(8)P(2) JA98 13.Aug.24 -837203.4 -895099.9 45.000 0.0 15.009316 41.075375 -23.681003 856.417776 1800.00 manganese,cr,l Mn need abbrev Mn(1) JA98 13.Aug.24 0.0 0.0 7.651 0.0 5.938487 3.106047 -0.468664 -0.862411 1800.00 molybdenum,cr,l 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,l MoO3 need abbrev Mo(1)O(3) JA98 13.Aug.24 -159674.7 -178099.9 18.585 0.0 67.993351 -5.806731 16.467692 -1149.069770 1800.00 molybdenum sulf,cr,l 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 titanium nitrid,cr,l 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 zirconium nitri,cr,l 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,l N2O4 need abbrev N(2)O(4) JA98 13.Aug.24 23308.1 -4675.9 50.000 0.0 21.009014 43.128292 -0.038312 4.072471 500.00 sodium,cr,l Na need abbrev Na(1) JA98 13.Aug.24 0.0 0.0 12.298 0.0 -10.843573 5.576344 -6.722583 405.847396 1600.00 sodium oxide,cr,l Na2O need abbrev Na(2)O(1) JA98 13.Aug.24 -90604.7 -99900.1 17.935 0.0 27.300865 1.334686 -0.363673 -186.551515 1800.00 sodium silicate,cr,l Na2SiO3 need abbrev Na(2)O(3)Si(1) JA98 13.Aug.24 -350700.3 -373190.0 27.210 0.0 86.748148 -8.944841 11.254751 -1205.676090 1800.00 sodium sulfate,cr,l Na2SO4 need abbrev Na(2)O(4)S(1) JA98 13.Aug.24 -303501.2 -331696.0 35.754 0.0 113.188120 -16.320860 13.806100 -1610.622705 1800.00 sodium silicate,cr,l Na2Si2O5 need abbrev Na(2)O(5)Si(2) JA98 13.Aug.24 -555488.3 -590359.9 39.210 0.0 185.828908 -29.443166 34.545818 -3072.662052 1800.00 sodium sulfide,cr,l Na2S need abbrev Na(2)S(1) JA98 13.Aug.24 -84740.0 -87500.0 23.000 0.0 271.131382 -62.669318 97.233816 -5872.958864 1800.00 sodium sulfide,cr,l Na2S2 need abbrev Na(2)S(2) JA98 13.Aug.24 -93731.6 -94900.1 36.000 0.0 67.985144 -10.764459 8.894887 -884.860312 1500.00 niobium,cr,l 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,l 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,l 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,l Nb2O5 need abbrev Nb(2)O(5) JA98 13.Aug.24 -422040.4 -454000.0 32.815 0.0 -15.881469 21.687851 -24.757432 1180.023253 1800.00 nickel,cr,l Ni need abbrev Ni(1) JA98 13.Aug.24 0.0 0.0 7.139 0.0 -5.112540 4.091663 -7.174204 308.400663 1800.00 nickel sulfide,cr,l NiS need abbrev Ni(1)S(1) JA98 13.Aug.24 -20363.3 -21000.0 12.665 0.0 24.005407 1.590203 5.599087 -333.821024 1800.00 nickel sulfide,cr,l NiS2 need abbrev Ni(1)S(2) JA98 13.Aug.24 -29831.0 -31400.1 17.200 0.0 37.083324 -2.361844 6.885980 -468.753037 1800.00 nickel sulfide,cr,l Ni3S2 need abbrev Ni(3)S(2) JA98 13.Aug.24 -50286.6 -51700.0 32.000 0.0 144.773698 -20.945663 39.223229 -2658.746965 1800.00 lead oxide,cr,l PbO need abbrev O(1)Pb(1) JA98 13.Aug.24 -45239.7 -52440.0 15.850 0.0 15.994672 1.162452 -0.071936 -90.721533 1800.00 strontium oxide,cr,l SrO need abbrev O(1)Sr(1) JA98 13.Aug.24 -134178.3 -141500.0 13.270 0.0 13.283300 1.307026 -0.688428 -35.391142 1800.00 titanium oxide,cr,l TiO need abbrev O(1)Ti(1) JA98 13.Aug.24 -122676.4 -129700.0 8.310 0.0 10.273987 4.157244 -1.485121 -5.101716 1800.00 vanadium oxide,cr,l 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 silicon oxide,cr,l SiO2 need abbrev O(2)Si(1) JA98 13.Aug.24 -204694.8 -217700.0 9.910 0.0 2.515516 5.736129 -10.100690 302.979157 1800.00 titanium oxide,cr,l TiO2 need abbrev O(2)Ti(1) JA98 13.Aug.24 -212573.1 -225800.0 12.020 0.0 20.557459 0.015109 -2.630638 -76.598335 1800.00 zirconium oxide,cr,l ZrO2 need abbrev O(2)Zr(1) JA98 13.Aug.24 -248500.0 -262300.0 12.036 0.0 33.787701 -4.058719 2.046826 -369.389259 1800.00 titanium oxide,cr,l 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,l 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,l WO3 need abbrev O(3)W(1) JA98 13.Aug.24 -182614.0 -201460.1 18.143 0.0 -7.959401 11.864843 -15.078943 666.222883 1800.00 vanadium oxide,cr,l 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,l 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,l Ti3O5 need abbrev O(5)Ti(3) JA98 13.Aug.24 -553846.3 -587750.0 30.920 0.0 8.154705 18.927888 -19.368878 780.787526 1800.00 vanadium oxide,cr,l V2O5 need abbrev O(5)V(2) JA98 13.Aug.24 -339232.3 -370599.9 31.202 0.0 75.686998 -6.493532 2.761689 -786.068331 1800.00 titanium oxide,cr,l 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,cr,l P need abbrev P(1) JA98 13.Aug.24 0.0 0.0 9.818 0.0 3.298164 0.699205 -1.968667 78.233607 1800.00 phosphorus sulf,cr,l P4S3 need abbrev P(4)S(3) JA98 13.Aug.24 -49441.7 -53691.9 48.000 0.0 60.470972 -4.995592 -4.642519 -334.818480 1800.00 lead,cr,l Pb need abbrev Pb(1) JA98 13.Aug.24 0.0 0.0 15.484 0.0 6.734584 -0.175091 -1.262746 19.040206 1800.00 lead sulfide,cr,l PbS need abbrev Pb(1)S(1) JA98 13.Aug.24 -23108.3 -23500.0 21.832 0.0 6.541138 4.485970 -0.825731 84.322209 1800.00 rubidium,cr,l Rb need abbrev Rb(1) JA98 13.Aug.24 0.0 0.0 18.350 0.0 -4.905079 4.624329 -3.278112 254.739186 1600.00 sulfur,cr,l S need abbrev S(1) JA98 13.Aug.24 0.0 0.0 7.662 0.0 -31.605041 9.579269 -22.314840 1004.437319 1500.00 silicon sulfide,cr,l SiS2 need abbrev S(2)Si(1) JA98 13.Aug.24 -50814.8 -51000.0 19.200 0.0 24.621637 0.512623 2.273543 -151.512269 1800.00 silicon,cr,l Si need abbrev Si(1) JA98 13.Aug.24 0.0 0.0 4.498 0.0 9.253355 -0.332331 0.388366 -82.515767 1800.00 strontium,cr,l Sr need abbrev Sr(1) JA98 13.Aug.24 0.0 0.0 13.311 0.0 12.266959 0.610485 2.731982 -155.366750 1800.00 tantalum,cr,l 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,cr,l Ti need abbrev Ti(1) JA98 13.Aug.24 0.0 0.0 7.352 0.0 6.639713 0.924547 -0.600128 -3.899616 1800.00 vanadium,cr,l 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,l 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,l Zn need abbrev Zn(1) JA98 13.Aug.24 0.0 0.0 9.971 0.0 14.636741 -1.806034 1.725474 -172.758036 1800.00 zirconium,cr,l Zr need abbrev Zr(1) JA98 13.Aug.24 0.0 0.0 9.290 0.0 10.600703 -0.515132 1.079090 -97.453440 1800.00