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_cI2_229_a" }, "stoichiometric-species": { "source-value": [ "W" ] }, "a": { "source-value": 3.2041, "source-unit": "angstrom" }, "library-prototype-label": { "source-value": "A_cI2_229_a" }, "short-name": { "source-value": "Body-Centered Cubic" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_587110618245_000" ] ] }, "duplicate_reference_data": [ "RD_360320371182_000", "RD_161346533091_000", "RD_677802973368_000", "RD_080319787808_000", "RD_137632706187_000", "RD_730835759895_000", "RD_918199169231_000", "RD_141769135844_000", "RD_082321970691_000", "RD_976017939381_000", "RD_009295210411_000", "RD_589528766528_000", "RD_673446537329_000" ] } ] Step Time Energy fmax LBFGSLineSearch: 0 21:10:53 -8.879103 1.150208 LBFGSLineSearch: 1 21:10:53 -8.897531 0.391941 LBFGSLineSearch: 2 21:10:54 -8.900002 0.003726 LBFGSLineSearch: 3 21:10:55 -8.900002 0.000032 LBFGSLineSearch: 4 21:10:56 -8.900002 0.000000