Model name? Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_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_hP2_191_c" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 2.4677, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 1.6162824 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_339218640688_000" ] ] }, "duplicate_reference_data": [] }, { "prototype-label": { "source-value": "A_hP2_191_c" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 2.4647, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 1.3417049 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_349496902978_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum stress component 0.022261348492279818 eV/angstrom^3 even though the nominal state of the system is unstressed. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 10:39:55 -14.723675 0.234124 LBFGSLineSearch: 1 10:40:07 -14.725569 0.080742 LBFGSLineSearch: 2 10:40:24 -14.730249 0.107444 LBFGSLineSearch: 3 10:40:31 -14.742380 0.345588 LBFGSLineSearch: 4 10:40:40 -14.744525 0.340081 LBFGSLineSearch: 5 10:40:43 -14.747353 0.162421 LBFGSLineSearch: 6 10:40:43 -14.748161 0.006369 LBFGSLineSearch: 7 10:40:43 -14.748165 0.000325 LBFGSLineSearch: 8 10:40:43 -14.748165 0.000053 LBFGSLineSearch: 9 10:40:44 -14.748165 0.000001 NOTE: The configuration you provided has a maximum stress component 0.019294590071558707 eV/angstrom^3 even though the nominal state of the system is unstressed. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 10:41:18 -14.746809 0.167836 LBFGSLineSearch: 1 10:41:18 -14.747699 0.028596 LBFGSLineSearch: 2 10:41:18 -14.748009 0.053759 LBFGSLineSearch: 3 10:41:18 -14.748147 0.018346 LBFGSLineSearch: 4 10:41:18 -14.748165 0.000117 LBFGSLineSearch: 5 10:41:18 -14.748165 0.000019 LBFGSLineSearch: 6 10:41:18 -14.748165 0.000000