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---
lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:36 2021
epsilon: 2.5e-13
prerequisites: ! |
atom full
improper cossq
pre_commands: ! ""
post_commands: ! ""
input_file: in.fourmol
improper_style: cossq
improper_coeff: ! |
1 75.0 120.2
2 45.0 59.5
extract: ! ""
natoms: 29
init_energy: 47.9012064519622
init_stress: ! |-
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init_forces: ! |2
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7 1.9329901359391172e+01 -2.0093109058858744e+01 -1.4251303737688040e+01
8 -2.4923528288230141e+01 3.6854393687412383e+01 4.1867680484587865e+01
9 1.3969666290783055e+01 -9.0595563105928818e+00 1.5851381427541192e+01
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run_energy: 47.8940525577889
run_stress: ! |-
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run_forces: ! |2
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8 -2.4922905418040280e+01 3.6824772717065628e+01 4.1857320277676386e+01
9 1.3974042259259667e+01 -9.0786457408306251e+00 1.5847251171627661e+01
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...
|
