Model name? Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Runtime arguments (literal dictonary)? No runtime arguments given Initial parameters from query or test_generator (literal list of dicts)? [ { "prototype-label": { "source-value": "A_cP20_221_gj" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 5.215, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.26228631, 0.15146094 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_258592798454_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 0.3421462596152312 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 10:35:45 -160.078872 3.695103 LBFGSLineSearch: 1 10:36:24 -164.986979 1.912506 LBFGSLineSearch: 2 10:36:35 -165.339318 1.331644 LBFGSLineSearch: 3 10:36:36 -165.507086 1.085620 LBFGSLineSearch: 4 10:36:40 -165.720811 0.502690 LBFGSLineSearch: 5 10:36:42 -165.739500 0.029223 LBFGSLineSearch: 6 10:36:44 -165.739554 0.002675 LBFGSLineSearch: 7 10:36:46 -165.739554 0.000178 LBFGSLineSearch: 8 10:36:54 -165.739554 0.000017 LBFGSLineSearch: 9 10:37:00 -165.739554 0.000001