--- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:09:37 2021 epsilon: 2.5e-13 prerequisites: ! | atom full improper inversion/harmonic pre_commands: ! "" post_commands: ! "" input_file: in.fourmol improper_style: inversion/harmonic improper_coeff: ! | 1 75.0 0.1 2 45.0 1.0 extract: ! "" natoms: 29 init_energy: 0.352301150271594 init_stress: ! |- -2.0258575599327061e-01 -1.7811780014253070e-01 3.8070355613579143e-01 -5.5279767824605708e-01 2.6080018124128801e-01 2.2225526588362821e-01 init_forces: ! |2 1 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 2 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 3 3.4413547454876281e-01 3.7330079439129671e-01 -5.9551821804014762e-02 4 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 5 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 6 -6.3739983279198285e+00 -6.0934584293714114e+00 2.0039260400812213e+00 7 3.8333655805108796e-01 4.1429603615837074e-01 -6.8062101489123866e-02 8 1.4627595538566258e+01 1.4187714263990550e+01 -5.5778104590457476e+00 9 -4.4960658258070012e+00 -4.3225204799384791e+00 2.0680155785480876e+00 10 -4.4850034174392803e+00 -4.5593321852303257e+00 1.6334827637095772e+00 11 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 12 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 13 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 14 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 15 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 16 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 17 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 18 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 19 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 20 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 21 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 22 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 23 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 24 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 25 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 26 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 27 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 28 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 29 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 run_energy: 0.353545934459527 run_stress: ! |- -2.0321693754031284e-01 -1.7922721758319698e-01 3.8244415512349306e-01 -5.5486273508472495e-01 2.6112525268542269e-01 2.2234067034718155e-01 run_forces: ! |2 1 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 2 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 3 3.9014332813152885e-01 4.2327140508149619e-01 -6.7539051541204195e-02 4 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 5 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 6 -6.5255364896166164e+00 -6.2573839228988852e+00 2.0273465795604100e+00 7 4.3399151919768653e-01 4.6893758346905956e-01 -7.7275277613397475e-02 8 1.4691225330577421e+01 1.4258632722113326e+01 -5.5807433641165485e+00 9 -4.4985056127326644e+00 -4.3264374066943745e+00 2.0661986223843822e+00 10 -4.4913180755573556e+00 -4.5670203810706225e+00 1.6320124913263574e+00 11 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 12 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 13 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 14 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 15 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 16 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 17 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 18 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 19 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 20 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 21 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 22 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 23 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 24 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 25 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 26 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 27 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 28 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 29 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 ...