forked from lijiext/lammps
18 lines
539 B
Plaintext
Executable File
18 lines
539 B
Plaintext
Executable File
# rx heats of formation for various molecules
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# multiple entries can be added to this file, LAMMPS reads the ones it needs
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# the entries are in LAMMPS "metal" units (eV)
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# Be sure the units are consistent with your input file
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# format of a single entry (one or more lines):
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# species DeltaHformation
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rdx 1.989907438211819
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hcn 1.400635733970104
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no2 0.343004076201018
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no 0.935781955892458
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h2o -2.506184777415379
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n2 0.000000000000000
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h2 0.000000000000000
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co -1.145533746031845
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co2 -4.078501848437456
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