Model name? Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001 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_cP8_223_ac" }, "stoichiometric-species": { "source-value": [ "Cr" ] }, "a": { "source-value": 4.577, "source-unit": "angstrom" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_585538196383_000" ] ] }, "duplicate_reference_data": [] }, { "prototype-label": { "source-value": "A_cP8_223_ac" }, "stoichiometric-species": { "source-value": [ "Cr" ] }, "a": { "source-value": 5.5603, "source-unit": "angstrom" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_490181025830_000" ] ] }, "duplicate_reference_data": [] } ] Step Time Energy fmax LBFGSLineSearch: 0 12:04:57 -32.261122 0.085588 LBFGSLineSearch: 1 12:05:01 -32.263100 0.000001 Step Time Energy fmax LBFGSLineSearch: 0 12:05:29 -18.584447 4.014833 LBFGSLineSearch: 1 12:05:34 -31.634501 1.436903 LBFGSLineSearch: 2 12:05:35 -32.205688 0.451029 LBFGSLineSearch: 3 12:05:36 -32.262644 0.041045 LBFGSLineSearch: 4 12:05:38 -32.263100 0.001157 LBFGSLineSearch: 5 12:05:39 -32.263100 0.000003