Model name? Sim_LAMMPS_Polymorphic_NordAlbeErhart_2003_GaN__SM_333071728528_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_oC8_64_f" }, "stoichiometric-species": { "source-value": [ "Ga" ] }, "a": { "source-value": 4.5397, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 1.6992092, 1.0032161, 0.84397269, 0.081681897 ] }, "library-prototype-label": { "source-value": "A_oC8_64_f-001" }, "short-name": { "source-value": "alpha-Gallium" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_021338994848_000" ] ] }, "duplicate_reference_data": [ "RD_703608442363_000", "RD_754257039901_000", "RD_818230274688_000", "RD_082991115296_000", "RD_111232043967_000", "RD_945653098777_000" ] } ] NOTE: The configuration you provided has a maximum force component 1.4857020875331588 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 17:20:02 -11.063321 3.387265 LBFGSLineSearch: 1 17:20:02 -11.266024 1.055139 LBFGSLineSearch: 2 17:20:03 -11.296293 0.204324 LBFGSLineSearch: 3 17:20:03 -11.310611 0.231588 LBFGSLineSearch: 4 17:20:04 -11.320655 0.148734 LBFGSLineSearch: 5 17:20:04 -11.323534 0.101126 LBFGSLineSearch: 6 17:20:04 -11.324870 0.094785 LBFGSLineSearch: 7 17:20:05 -11.330313 0.039918 LBFGSLineSearch: 8 17:20:05 -11.330781 0.024662 LBFGSLineSearch: 9 17:20:05 -11.330835 0.022041 LBFGSLineSearch: 10 17:20:06 -11.331003 0.008070 LBFGSLineSearch: 11 17:20:06 -11.331024 0.003965 LBFGSLineSearch: 12 17:20:06 -11.331025 0.002955 LBFGSLineSearch: 13 17:20:06 -11.331027 0.004020 LBFGSLineSearch: 14 17:20:07 -11.331030 0.000065 LBFGSLineSearch: 15 17:20:07 -11.331030 0.000016 LBFGSLineSearch: 16 17:20:07 -11.331030 0.000000