File: improper-class2.yaml

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lammps 20250204%2Bdfsg.1-2
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---
lammps_version: 17 Feb 2022
date_generated: Fri Mar 18 22:18:02 2022
epsilon: 2.5e-13
skip_tests: kokkos_omp
prerequisites: ! |
  atom full
  improper class2
pre_commands: ! ""
post_commands: ! ""
input_file: in.fourmol
improper_style: class2
improper_coeff: ! |
  1  75.0 169
  2  45.0  10
  *  aa 75 42 31 125.4 130.01 115.06
extract: ! ""
natoms: 29
init_energy: 1375.7372366975192
init_stress: ! |-
  -1.7468868485439822e+02 -9.2086842555214787e+01  2.6677552740961301e+02  1.4938930562506283e+02  2.2947660920769948e+01  5.9390297771307900e+01
init_forces: ! |2
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    6  3.8384848080007407e+02  2.4743113398704139e+02 -6.2651869231333542e+01
    7 -1.7774406979068704e+02 -5.5990310445575943e+01 -6.1771623434942981e+01
    8 -1.1390550618440670e+02 -9.6594897230345566e+01  1.9743164026142125e+02
    9 -6.6272434058996311e+01  1.1515005775861550e+02  8.1891641120509050e+01
   10 -7.8205614976798818e+00 -3.5515704100773377e+01 -1.4295687967570640e+02
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run_energy: 1374.6549272930695
run_stress: ! |-
  -1.7447800608448503e+02 -9.2290397546656749e+01  2.6676840363114184e+02  1.5021277934074519e+02  2.2884061959854989e+01  5.9138100588497707e+01
run_forces: ! |2
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    7 -1.7763823119536448e+02 -5.5958318518613538e+01 -6.1721057453874508e+01
    8 -1.1424566465431873e+02 -9.6849247974043806e+01  1.9733669735220542e+02
    9 -6.6225563148766426e+01  1.1510944978037821e+02  8.1848368493984395e+01
   10 -7.6961113670268748e+00 -3.5306221823947865e+01 -1.4296814970730554e+02
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...