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https://github.com/Cantera/cantera.git
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9e5362a762
Support for elemental composition written on additional lines indicated by
Fortran line-continuation character ('&').
51 lines
3.6 KiB
Plaintext
51 lines
3.6 KiB
Plaintext
THERMO
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300.000 1000.000 5000.000
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H 120186H 1 G 0300.00 5000.00 1000.00 1
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0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
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0.02547162E+06-0.04601176E+01 0.02500000E+02 0.00000000E+00 0.00000000E+00 3
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0.00000000E+00 0.00000000E+00 0.02547162E+06-0.04601176E+01 4
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H2 121286H 2 G 0300.00 5000.00 1000.00 1
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0.02991423E+02 0.07000644E-02-0.05633828E-06-0.09231578E-10 0.15827519E-14 2
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-0.08350340E+04-0.13551101E+01 0.03298124E+02 0.08249441E-02-0.08143015E-05 3
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-0.09475434E-09 0.04134872E-11-0.10125209E+04-0.03294094E+02 4
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C6H5 HR 4/99 BLYP00C 6H 5 0 0G 300.000 5000.000 1401.000 01
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1.39113231E+01 1.44510477E-02-4.97643143E-06 7.76350200E-10-4.52009699E-14 2
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3.39370888E+04-5.35639096E+01-4.79363838E+00 6.41256261E-02-5.63088346E-05 3
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2.50628417E-08-4.43680766E-12 3.97940632E+04 4.47040879E+01 4
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A1C2HJ2 HR 6/99 BLYP00C 8H 5 0 0G 300.000 5000.000 1403.000 01
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1.88370382E+01 1.52445522E-02-5.22469596E-06 8.12518874E-10-4.72045178E-14 2
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5.96821996E+04-7.49107592E+01-1.49929738E+00 7.01891496E-02-6.29429910E-05 3
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2.85073827E-08-5.11137313E-12 6.59494823E+04 3.15838359E+01 4
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C10H7J1 TB 1/99 BLYP00C 10H 7 0 0G 300.000 5000.000 1401.000 01
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2.32134837E+01 2.19245132E-02-7.57801031E-06 1.18526564E-09-6.91369406E-14 2
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3.75456274E+04-1.03911378E+02-7.74269427E+00 1.04220941E-01-9.25076899E-05 3
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4.12403544E-08-7.28199643E-12 4.72057155E+04 5.86484815E+01 4
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C10H7J2 TB 1/99 BLYP00C 10H 7 0 0G 300.000 5000.000 1401.000 01
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2.32356550E+01 2.19168575E-02-7.57777612E-06 1.18547456E-09-6.91588767E-14 2
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3.76662306E+04-1.04074200E+02-7.71898395E+00 1.04275854E-01-9.26741654E-05 3
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4.13767346E-08-7.31737931E-12 4.73225871E+04 5.84596982E+01 4
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A2CH2-1 HR 6/99 BLYP C 11H 9 0 0G 300.000 5000.000 1393.000 11
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2.67591143E+01 2.66944366E-02-9.34672512E-06 1.47411301E-09-8.64694573E-14 2
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1.79163708E+04-1.23291372E+02-9.42561321E+00 1.26956297E-01-1.19253218E-04 3
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5.69889164E-08-1.07817848E-11 2.90341851E+04 6.56750520E+01 4
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A2CH2-2 HR 6/99 BLYP C 11H 9 0 0G 300.000 5000.000 1393.000 11
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2.67837993E+01 2.67091735E-02-9.35972813E-06 1.47696837E-09-8.66691339E-14 2
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1.80361580E+04-1.23392042E+02-9.37163916E+00 1.27337620E-01-1.20319319E-04 3
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5.78670534E-08-1.10107665E-11 2.91224235E+04 6.53001580E+01 4
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BIN5 PYRENE C 0H 0 0 0G 300.000 5000.000 1401.000 01C 388H 144
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3.65839677E+01 3.36764102E-02-1.16783938E-05 1.83077466E-09-1.06963777E-13 2
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9.29809483E+03-1.81272070E+02-1.29758980E+01 1.63790064E-01-1.43851166E-04 3
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6.31057915E-08-1.09568047E-11 2.48866399E+04 7.94950474E+01 4
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BIN6J PYRENEJ1 C 0H 0 0 0G 300.000 5000.000 1401.000 01&
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C 778 H 263
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3.63345177E+01 3.13968020E-02-1.09044660E-05 1.71125597E-09-1.00056355E-13 2
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4.05143093E+04-1.77494305E+02-1.20603441E+01 1.59247554E-01-1.41562602E-04 3
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6.26071650E-08-1.09305161E-11 5.56473533E+04 7.68451211E+01 4
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BIN6 PYRENE C 0H 0 0 0G 300.000 5000.000 1401.000 01&
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C 778&
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H 264
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3.65839677E+01 3.36764102E-02-1.16783938E-05 1.83077466E-09-1.06963777E-13 2
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9.29809483E+03-1.81272070E+02-1.29758980E+01 1.63790064E-01-1.43851166E-04 3
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6.31057915E-08-1.09568047E-11 2.48866399E+04 7.94950474E+01 4
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END
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