#F Compounds.dat #C This file has been created using Compounds.pro on Fri Oct 11 16:35:53 1996 #C This file belongs to the DABAX library. More information on #C DABAX can be found at: #C http://www.esrf.fr/computing/expg/subgroups/theory/DABAX/dabax.html #U3W Sheet_Stand #UT Compounds and Mixtures (formulae, density and composition) #UD Compounds and Mixtures (formulae, density and composition) #UD #UD This file contains composition and densities of the most usual #UD materials. Data comes from: #UD 1) LBL (from B4C to Zerodur, in scanning order) Ref: #UD http://www-cxro.lbl.gov:80/optical_constants/asf.html #UD 2) XOP 1.3.4 (from water to polystyrene, in scanning order) Ref: #UD Roger Dejus (dejus@aps.anl.gov) #UD 3) NIST (from A-150 TISSUE-EQUIVALENT PLASTIC to WATER, LIQUID) Ref: #UD http://physics.nist.gov/PhysRefData/XrayMassCoef/cover.html #UD #UD The mixture formula syntaxis consits in a string with the chemical #UD formula of the compounds with their weight fraction between parenthesis. #UD Example: SiO2(0.807)B2O3(0.129)Na2O(0.038)Al2O3(0.022)K2O(0.004) #UD #UD The formula is available at the #UFOR keyword. The compound name is #UD available at the data title (#S) and the compound density in g/cc is #UD stored at the #URHO keyword. Data is arranged in a number of lines #UD equal to the number of elements in the mixtute sorted by Z. The column #UD description is: 1:Z and 2:WeightFraction. #UD The scan number corresponds to the highest Z in the compound. #UD #S 6 B4C #UFOR B4C #URHO 2.52 #N 2 #L Z WeightFraction 5 0.78262601 6 0.21737399 #S 8 BeO #UFOR BeO #URHO 3.01 #N 2 #L Z WeightFraction 4 0.36032035 8 0.63967965 #S 7 BN #UFOR BN #URHO 2.25 #N 2 #L Z WeightFraction 5 0.43561581 7 0.56438419 #S 24 Cr2O3 #UFOR Cr2O3 #URHO 5.21 #N 2 #L Z WeightFraction 8 0.31579758 24 0.68420242 #S 55 CsI #UFOR CsI #URHO 4.51 #N 2 #L Z WeightFraction 53 0.48845125 55 0.51154875 #S 33 GaAs #UFOR GaAs #URHO 5.32 #N 2 #L Z WeightFraction 31 0.48202978 33 0.51797022 #S 9 LiF #UFOR LiF #URHO 2.635 #N 2 #L Z WeightFraction 3 0.26758518 9 0.73241482 #S 12 MgO #UFOR MgO #URHO 3.58 #N 2 #L Z WeightFraction 8 0.39696410 12 0.60303590 #S 42 MoSi2 #UFOR MoSi2 #URHO 6.31 #N 2 #L Z WeightFraction 14 0.36927638 42 0.63072362 #S 22 TiN #UFOR TiN #URHO 5.22 #N 2 #L Z WeightFraction 7 0.22632861 22 0.77367139 #S 13 Sapphire #UFOR Al2O3 #URHO 3.97 #N 2 #L Z WeightFraction 8 0.47074930 13 0.52925070 #S 8 Polyimide #UFOR C22H10N2O5 #URHO 1.43 #N 2 #L Z WeightFraction 1 0.026362960 6 0.69113253 7 0.073270061 8 0.20923445 #S 6 Polypropylene #UFOR C3H6 #URHO 0.90 #N 2 #L Z WeightFraction 1 0.14371549 6 0.85628451 #S 8 PMMA #UFOR C5H8O2 #URHO 1.19 #N 2 #L Z WeightFraction 1 0.080540710 6 0.59984626 8 0.31961303 #S 8 Polycarbonate #UFOR C16H14O3 #URHO 1.2 #N 2 #L Z WeightFraction 1 0.055493403 6 0.75574937 8 0.18875723 #S 8 Kimfol #UFOR C16H14O3 #URHO 1.2 #N 2 #L Z WeightFraction 1 0.055493403 6 0.75574937 8 0.18875723 #S 8 Mylar #UFOR C10H8O4 #URHO 1.4 #N 2 #L Z WeightFraction 1 0.041960103 6 0.62501587 8 0.33302403 #S 9 Teflon #UFOR C2F4 #URHO 2.2 #N 2 #L Z WeightFraction 6 0.24018250 9 0.75981750 #S 17 Parylene-C #UFOR C8H7Cl #URHO 1.29 #N 2 #L Z WeightFraction 1 0.050907427 6 0.69329422 17 0.25579835 #S 6 Parylene-N #UFOR C8H8 #URHO 1.11 #N 2 #L Z WeightFraction 1 0.077421050 6 0.92257895 #S 20 Fluorite #UFOR CaF2 #URHO 3.18 #N 2 #L Z WeightFraction 9 0.48667180 20 0.51332820 #S 17 Salt #UFOR NaCl #URHO 2.165 #N 2 #L Z WeightFraction 11 0.39337435 17 0.60662565 #S 28 NiO #UFOR NiO #URHO 6.67 #N 2 #L Z WeightFraction 8 0.21421246 28 0.78578754 #S 14 SiC #UFOR SiC #URHO 3.217 #N 2 #L Z WeightFraction 6 0.29955233 14 0.70044767 #S 14 Si3N4 #UFOR Si3N4 #URHO 3.44 #N 2 #L Z WeightFraction 7 0.39938393 14 0.60061607 #S 14 Silica #UFOR SiO2 #URHO 2.2 #N 2 #L Z WeightFraction 8 0.53256508 14 0.46743492 #S 14 Quartz #UFOR SiO2 #URHO 2.65 #N 2 #L Z WeightFraction 8 0.53256508 14 0.46743492 #S 22 Rutile #UFOR TiO2 #URHO 4.26 #N 2 #L Z WeightFraction 8 0.40059190 22 0.59940810 #S 22 ULE #UFOR Si.925Ti.075O2 #URHO 2.205 #N 2 #L Z WeightFraction 8 0.51972354 14 0.42195155 22 0.058324913 #S 40 Zerodur #UFOR Si.56Al.5P.16Li.04Ti.02Zr.02Zn.03O2.46 #URHO 2.53 #N 2 #L Z WeightFraction 3 0.0035343672 8 0.50103543 13 0.17173798 14 0.20021648 15 0.063087248 22 0.012190283 30 0.024972512 40 0.023225696 #S 8 water #UFOR H2O #URHO 1.00 #N 2 #L Z WeightFraction 1 0.11189834 8 0.88810166 #S 16 protein #UFOR H48.6C32.9N8.9O8.9S0.6 #URHO 1.35 #N 2 #L Z WeightFraction 1 0.067063342 6 0.54099009 7 0.17066376 8 0.19494314 16 0.026339667 #S 8 lipid #UFOR H62.5C31.5O6.3 #URHO 1.00 #N 2 #L Z WeightFraction 1 0.11619945 6 0.69787734 8 0.18592321 #S 16 nucleosome #UFOR H42.1C31.9N10.3O13.9P1.6S0.3 #URHO 1.50 #N 2 #L Z WeightFraction 1 0.049839189 6 0.45001194 7 0.16944489 8 0.26119971 15 0.058205783 16 0.011298485 #S 15 dna #UFOR H35.5C30.8N11.7O18.9P3.1 #URHO 1.70 #N 2 #L Z WeightFraction 1 0.036964497 6 0.38216565 7 0.16929522 8 0.31238291 15 0.099191721 #S 2 helium #UFOR He #URHO 0.1663e-3 #N 2 #L Z WeightFraction 2 1.0000000 #S 16 chromatin #UFOR H49.95C24.64N8.66O15.57P1.07S0.03 #URHO 1.527 #N 2 #L Z WeightFraction 1 0.067056345 6 0.39417545 7 0.16155659 8 0.33178902 15 0.044141334 16 0.0012812555 #S 18 air #UFOR N78.084O20.948Ar0.467 #URHO 1.2047e-3 #N 2 #L Z WeightFraction 7 0.75557315 8 0.23153874 18 0.012888113 #S 8 pmma #UFOR C5H8O2 #URHO 1.18 #N 2 #L Z WeightFraction 1 0.080540710 6 0.59984626 8 0.31961303 #S 14 nitride #UFOR Si3N4 #URHO 3.44 #N 2 #L Z WeightFraction 7 0.39938393 14 0.60061607 #S 6 graphite #UFOR C #URHO 2.26 #N 2 #L Z WeightFraction 6 1.0000000 #S 28 nickel #UFOR Ni #URHO 8.876 #N 2 #L Z WeightFraction 28 1.0000000 #S 4 beryl #UFOR Be #URHO 1.845 #N 2 #L Z WeightFraction 4 1.0000000 #S 29 copper #UFOR Cu #URHO 8.96 #N 2 #L Z WeightFraction 29 1.0000000 #S 14 quartz #UFOR SiO2 #URHO 2.20 #N 2 #L Z WeightFraction 8 0.53256508 14 0.46743492 #S 13 aluminum #UFOR Al #URHO 2.70 #N 2 #L Z WeightFraction 13 1.0000000 #S 79 gold #UFOR Au #URHO 19.3 #N 2 #L Z WeightFraction 79 1.0000000 #S 8 ice #UFOR H2O #URHO 0.92 #N 2 #L Z WeightFraction 1 0.11189834 8 0.88810166 #S 6 carbon #UFOR C #URHO 1.00 #N 2 #L Z WeightFraction 6 1.0000000 #S 6 polystyrene #UFOR C8H8 #URHO 1.06 #N 2 #L Z WeightFraction 1 0.077421050 6 0.92257895 #S 20 A-150 TISSUE-EQUIVALENT PLASTIC #UFOR H(0.10133)C(0.775498)N(0.035057)O(0.052315)F(0.017423)Ca(0.018377) #URHO 1.127E+00 #N 2 #L Z WeightFraction 1 0.10133000 6 0.77549797 7 0.035057001 8 0.052315000 9 0.017423000 20 0.018377000 #S 17 ADIPOSE TISSUE (ICRU-44) #UFOR H(0.114)C(0.598)N(0.007)O(0.278)Na(0.001)S(0.001)Cl(0.001) #URHO 9.500E-01 #N 2 #L Z WeightFraction 1 0.11400000 6 0.59799999 7 0.0070000002 8 0.27800000 11 0.0010000000 16 0.0010000000 17 0.0010000000 #S 18 AIR, DRY (NEAR SEA LEVEL) #UFOR C(0.000124)N(0.755268)O(0.231781)Ar(0.012827) #URHO 1.205E-03 #N 2 #L Z WeightFraction 6 0.00012400000 7 0.75526798 8 0.23178101 18 0.012827000 #S 8 ALANINE #UFOR H(0.079192)C(0.404437)N(0.157213)O(0.359157) #URHO 1.424E+00 #N 2 #L Z WeightFraction 1 0.079191998 6 0.40443701 7 0.15721300 8 0.35915700 #S 20 B-100 BONE-EQUIVALENT PLASTIC #UFOR H(0.065473)C(0.536942)N(0.0215)O(0.032084)F(0.167415)Ca(0.176585) #URHO 1.450E+00 #N 2 #L Z WeightFraction 1 0.065472998 6 0.53694201 7 0.021500001 8 0.032083999 9 0.16741499 20 0.17658500 #S 8 BAKELITE #UFOR H(0.057444)C(0.774589)O(0.167968) #URHO 1.250E+00 #N 2 #L Z WeightFraction 1 0.057443999 6 0.77458900 8 0.16796800 #S 26 BLOOD, WHOLE (ICRU-44) #UFOR H(0.102)C(0.11)N(0.033)O(0.745)Na(0.001)P(0.001)S(0.002)Cl(0.003)K(0.002)Fe(0.001) #URHO 1.060E+00 #N 2 #L Z WeightFraction 1 0.10200000 6 0.11000000 7 0.033000000 8 0.74500000 11 0.0010000000 15 0.0010000000 16 0.0020000001 17 0.0030000000 19 0.0020000001 26 0.0010000000 #S 20 BONE, CORTICAL (ICRU-44) #UFOR H(0.034)C(0.155)N(0.042)O(0.435)Na(0.001)Mg(0.002)P(0.103)S(0.003)Ca(0.225) #URHO 1.920E+00 #N 2 #L Z WeightFraction 1 0.034000002 6 0.15500000 7 0.041999999 8 0.43500000 11 0.0010000000 12 0.0020000001 15 0.10300000 16 0.0030000000 20 0.22499999 #S 19 BRAIN, GREY/WHITE MATTER (ICRU-44) #UFOR H(0.107)C(0.145)N(0.022)O(0.712)Na(0.002)P(0.004)S(0.002)Cl(0.003)K(0.003) #URHO 1.040E+00 #N 2 #L Z WeightFraction 1 0.10700000 6 0.14500000 7 0.022000000 8 0.71200001 11 0.0020000001 15 0.0040000002 16 0.0020000001 17 0.0030000000 19 0.0030000000 #S 17 BREAST TISSUE (ICRU-44) #UFOR H(0.106)C(0.332)N(0.03)O(0.527)Na(0.001)P(0.001)S(0.002)Cl(0.001) #URHO 1.020E+00 #N 2 #L Z WeightFraction 1 0.10600000 6 0.33199999 7 0.029999999 8 0.52700001 11 0.0010000000 15 0.0010000000 16 0.0020000001 17 0.0010000000 #S 14 C-552 AIR-EQUIVALENT PLASTIC #UFOR H(0.024681)C(0.50161)O(0.004527)F(0.465209)Si(0.003973) #URHO 1.760E+00 #N 2 #L Z WeightFraction 1 0.024681000 6 0.50160998 8 0.0045269998 9 0.46520901 14 0.0039730002 #S 52 CADMIUM TELLURIDE #UFOR Cd(0.468358)Te(0.531642) #URHO 6.200E+00 #N 2 #L Z WeightFraction 48 0.46835801 52 0.53164202 #S 20 CALCIUM FLUORIDE #UFOR F(0.486672)Ca(0.513328) #URHO 3.180E+00 #N 2 #L Z WeightFraction 9 0.48667201 20 0.51332802 #S 20 CALCIUM SULFATE #UFOR O(0.470081)S(0.235534)Ca(0.294385) #URHO 2.960E+00 #N 2 #L Z WeightFraction 8 0.47008100 16 0.23553400 20 0.29438499 #S 58 15e-3 M CERIC AMMONIUM SULFATE SOLUTION #UFOR H(0.107694)N(0.000816)O(0.875172)S(0.014279)Ce(0.00204) #URHO 1.030E+00 #N 2 #L Z WeightFraction 1 0.10769400 7 0.00081599999 8 0.87517202 16 0.014279000 58 0.0020399999 #S 55 CESIUM IODIDE #UFOR I(0.488451)Cs(0.511549) #URHO 4.510E+00 #N 2 #L Z WeightFraction 53 0.48845100 55 0.51154900 #S 26 CONCRETE, ORDINARY #UFOR H(0.0221)C(0.002484)O(0.57493)Na(0.015208)Mg(0.001266)Al(0.019953)Si(0.304627)K(0.010045)Ca(0.042951)Fe(0.006435) #URHO 2.300E+00 #N 2 #L Z WeightFraction 1 0.022100000 6 0.0024840001 8 0.57493001 11 0.015208000 12 0.0012660000 13 0.019952999 14 0.30462700 19 0.010045000 20 0.042950999 26 0.0064349999 #S 56 CONCRETE, BARITE (TYPE BA) #UFOR H(0.003585)O(0.311622)Mg(0.001195)Al(0.004183)Si(0.010457)S(0.107858)Ca(0.050194)Fe(0.047505)Ba(0.4634) #URHO 3.350E+00 #N 2 #L Z WeightFraction 1 0.0035850001 8 0.31162199 12 0.0011950000 13 0.0041830000 14 0.010457000 16 0.10785800 20 0.050193999 26 0.047504999 56 0.46340001 #S 17 EYE LENS (ICRU-44) #UFOR H(0.096)C(0.195)N(0.057)O(0.646)Na(0.001)P(0.001)S(0.003)Cl(0.001) #URHO 1.070E+00 #N 2 #L Z WeightFraction 1 0.096000001 6 0.19499999 7 0.057000000 8 0.64600003 11 0.0010000000 15 0.0010000000 16 0.0030000000 17 0.0010000000 #S 26 FERROUS SULFATE (STANDARD FRICKE) #UFOR H(0.108376)O(0.878959)Na(0.000022)S(0.012553)Cl(0.000035)Fe(0.000055) #URHO 1.024E+00 #N 2 #L Z WeightFraction 1 0.10837600 8 0.87895900 11 2.2000000e-05 16 0.012553000 17 3.5000001e-05 26 5.5000000e-05 #S 64 GADOLINIUM OXYSULFIDE #UFOR O(0.084527)S(0.084704)Gd(0.830769) #URHO 7.440E+00 #N 2 #L Z WeightFraction 8 0.084527001 16 0.084703997 64 0.83076900 #S 8 GAFCHROMIC SENSOR #UFOR H(0.0897)C(0.6058)N(0.1122)O(0.1923) #URHO 1.300E+00 #N 2 #L Z WeightFraction 1 0.089699998 6 0.60579997 7 0.11220000 8 0.19230001 #S 33 GALLIUM ARSENIDE #UFOR Ga(0.48203)As(0.51797) #URHO 5.310E+00 #N 2 #L Z WeightFraction 31 0.48203000 33 0.51797003 #S 19 GLASS, BOROSILICATE (PYREX) #UFOR SiO2(0.807)B2O3(0.129)Na2O(0.038)Al2O3(0.022)K2O(0.004) #URHO 2.230E+00 #N 2 #L Z WeightFraction 5 0.040063629 8 0.53956168 11 0.028190583 13 0.011643515 14 0.37721997 19 0.0033205913 #S 82 GLASS, LEAD #UFOR O(0.156453)Si(0.080866)Ti(0.008092)As(0.002651)Pb(0.751938) #URHO 6.220E+00 #N 2 #L Z WeightFraction 8 0.15645300 14 0.080866002 22 0.0080920001 33 0.0026509999 82 0.75193799 #S 9 LITHIUM FLUORIDE #UFOR Li(0.267585)F(0.732415) #URHO 2.635E+00 #N 2 #L Z WeightFraction 3 0.26758501 9 0.73241502 #S 8 LITHIUM TETRABORATE #UFOR Li(0.082081)B(0.255715)O(0.662204) #URHO 2.440E+00 #N 2 #L Z WeightFraction 3 0.082080998 5 0.25571501 8 0.66220403 #S 19 LUNG TISSUE (ICRU-44) #UFOR H(0.103)C(0.105)N(0.031)O(0.749)Na(0.002)P(0.002)S(0.003)Cl(0.003)K(0.002) #URHO 1.050E+00 #N 2 #L Z WeightFraction 1 0.10300000 6 0.10500000 7 0.030999999 8 0.74900001 11 0.0020000001 15 0.0020000001 16 0.0030000000 17 0.0030000000 19 0.0020000001 #S 12 MAGNESIUM TETRABORATE #UFOR B(0.24087)O(0.623762)Mg(0.135367) #URHO 2.530E+00 #N 2 #L Z WeightFraction 5 0.24087000 8 0.62376201 12 0.13536701 #S 80 MERCURIC IODIDE #UFOR I(0.55856)Hg(0.44144) #URHO 6.360E+00 #N 2 #L Z WeightFraction 53 0.55856001 80 0.44143999 #S 19 MUSCLE, SKELETAL (ICRU-44) #UFOR H(0.102)C(0.143)N(0.034)O(0.71)Na(0.001)P(0.002)S(0.003)Cl(0.001)K(0.004) #URHO 1.050E+00 #N 2 #L Z WeightFraction 1 0.10200000 6 0.14300001 7 0.034000002 8 0.70999998 11 0.0010000000 15 0.0020000001 16 0.0030000000 17 0.0010000000 19 0.0040000002 #S 19 OVARY (ICRU-44) #UFOR H(0.105)C(0.093)N(0.024)O(0.768)Na(0.002)P(0.002)S(0.002)Cl(0.002)K(0.002) #URHO 1.050E+00 #N 2 #L Z WeightFraction 1 0.10500000 6 0.093000002 7 0.024000000 8 0.76800001 11 0.0020000001 15 0.0020000001 16 0.0020000001 17 0.0020000001 19 0.0020000001 #S 47 PHOTOGRAPHIC EMULSION (KODAK TYPE AA) #UFOR H(0.0305)C(0.2107)N(0.0721)O(0.1632)Br(0.2228)Ag(0.3007) #URHO 2.200E+00 #N 2 #L Z WeightFraction 1 0.030500000 6 0.21070001 7 0.072099999 8 0.16320001 35 0.22280000 47 0.30070001 #S 53 PHOTOGRAPHIC EMULSION (STANDARD NUCLEAR) #UFOR H(0.0141)C(0.072261)N(0.01932)O(0.066101)S(0.00189)Br(0.349104)Ag(0.474105)I(0.00312) #URHO 3.815E+00 #N 2 #L Z WeightFraction 1 0.014100000 6 0.072260998 7 0.019320000 8 0.066101000 16 0.0018900000 35 0.34910399 47 0.47410500 53 0.0031200000 #S 6 PLASTIC SCINTILLATOR (VINYLTOLUENE) #UFOR H(0.085)C(0.915) #URHO 1.032E+00 #N 2 #L Z WeightFraction 1 0.085000001 6 0.91500002 #S 6 POLYETHYLENE #UFOR H(0.143716)C(0.856284) #URHO 9.300E-01 #N 2 #L Z WeightFraction 1 0.14371599 6 0.85628402 #S 8 POLYETHYLENE TEREPHTHALATE (MYLAR) #UFOR H(0.04196)C(0.625016)O(0.333024) #URHO 1.380E+00 #N 2 #L Z WeightFraction 1 0.041960001 6 0.62501597 8 0.33302400 #S 8 POLYMETHYL METHACRYLATE #UFOR H(0.080541)C(0.599846)O(0.319613) #URHO 1.190E+00 #N 2 #L Z WeightFraction 1 0.080541000 6 0.59984601 8 0.31961301 #S 6 POLYSTYRENE #UFOR H(0.077421)C(0.922579) #URHO 1.060E+00 #N 2 #L Z WeightFraction 1 0.077421002 6 0.92257899 #S 9 POLYTETRAFLUOROETHYLENE (TEFLON) #UFOR C(0.240183)F(0.759818) #URHO 2.250E+00 #N 2 #L Z WeightFraction 6 0.24018300 9 0.75981802 #S 17 POLYVINYL CHLORIDE #UFOR H(0.048382)C(0.384361)Cl(0.567257) #URHO 1.406E+00 #N 2 #L Z WeightFraction 1 0.048381999 6 0.38436100 17 0.56725699 #S 8 RADIOCHROMIC DYE FILM (NYLON BASE) #UFOR H(0.101996)C(0.654396)N(0.098915)O(0.144693) #URHO 1.080E+00 #N 2 #L Z WeightFraction 1 0.10199600 6 0.65439600 7 0.098915003 8 0.14469300 #S 19 TESTIS (ICRU-44) #UFOR H(0.106)C(0.099)N(0.02)O(0.766)Na(0.002)P(0.001)S(0.002)Cl(0.002)K(0.002) #URHO 1.040E+00 #N 2 #L Z WeightFraction 1 0.10600000 6 0.098999999 7 0.020000000 8 0.76599997 11 0.0020000001 15 0.0010000000 16 0.0020000001 17 0.0020000001 19 0.0020000001 #S 19 TISSUE, SOFT (ICRU-44) #UFOR H(0.102)C(0.143)N(0.034)O(0.708)Na(0.002)P(0.003)S(0.003)Cl(0.002)K(0.003) #URHO 1.060E+00 #N 2 #L Z WeightFraction 1 0.10200000 6 0.14300001 7 0.034000002 8 0.70800000 11 0.0020000001 15 0.0030000000 16 0.0030000000 17 0.0020000001 19 0.0030000000 #S 8 TISSUE, SOFT (ICRU FOUR-COMPONENT) #UFOR H(0.101174)C(0.111)N(0.026)O(0.761826) #URHO 1.000E+00 #N 2 #L Z WeightFraction 1 0.10117400 6 0.11100000 7 0.026000001 8 0.76182598 #S 8 TISSUE-EQUIVALENT GAS (METHANE BASED) #UFOR H(0.101873)C(0.456177)N(0.035172)O(0.406778) #URHO 1.064E-03 #N 2 #L Z WeightFraction 1 0.10187300 6 0.45617700 7 0.035172001 8 0.40677801 #S 8 TISSUE-EQUIVALENT GAS (PROPANE BASED) #UFOR H(0.102676)C(0.568937)N(0.035022)O(0.293365) #URHO 1.826E-03 #N 2 #L Z WeightFraction 1 0.10267600 6 0.56893700 7 0.035022002 8 0.29336500 #S 8 WATER, LIQUID #UFOR H(0.111898)O(0.888102) #URHO 1.000E+00 #N 2 #L Z WeightFraction 1 0.11189800 8 0.88810199