Model name? EDIP_LAMMPS_JustoBazantKaxiras_1998_Si__MO_315965276297_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_hP40_191_hjmno" }, "stoichiometric-species": { "source-value": [ "Si" ] }, "a": { "source-value": 10.2149, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 1.0165836, 0.61228571, 0.75779551, 0.86747065, 0.38051764, 0.81323099, 0.79060657, 0.68780964 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_918245745648_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 0.4822986633404463 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 17:18:58 -183.130685 0.482299 LBFGSLineSearch: 1 17:18:59 -183.182649 0.371335 LBFGSLineSearch: 2 17:18:59 -183.205889 0.339535 LBFGSLineSearch: 3 17:19:00 -183.232413 0.285199 LBFGSLineSearch: 4 17:19:00 -183.280083 0.286049 LBFGSLineSearch: 5 17:19:01 -183.301284 0.161871 LBFGSLineSearch: 6 17:19:01 -183.313761 0.086000 LBFGSLineSearch: 7 17:19:01 -183.318776 0.070103 LBFGSLineSearch: 8 17:19:02 -183.320327 0.056517 LBFGSLineSearch: 9 17:19:02 -183.320996 0.049502 LBFGSLineSearch: 10 17:19:02 -183.321392 0.046332 LBFGSLineSearch: 11 17:19:03 -183.321737 0.045196 LBFGSLineSearch: 12 17:19:04 -183.323893 0.044063 LBFGSLineSearch: 13 17:19:05 -183.325420 0.052581 LBFGSLineSearch: 14 17:19:06 -183.330036 0.029684 LBFGSLineSearch: 15 17:19:07 -183.330479 0.017520 LBFGSLineSearch: 16 17:19:08 -183.330537 0.008413 LBFGSLineSearch: 17 17:19:10 -183.330551 0.002806 LBFGSLineSearch: 18 17:19:11 -183.330552 0.000328 LBFGSLineSearch: 19 17:19:13 -183.330552 0.000016 LBFGSLineSearch: 20 17:19:14 -183.330552 0.000001