Model name? Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_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": "A2B_mC18_5_3c_ac" }, "stoichiometric-species": { "source-value": [ "O", "Si" ] }, "a": { "source-value": 8.582, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.58252156, 0.63768352, 89.569, 0.47191332, 0.57014089, 0.15869749, 0.21755676, 0.36308617, 0.78328976, 0.11419915, 0.20577736, 0.051991382, 0.46025743, 0.26680352, 0.26211387, 0.66648872 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_512972607665_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 1.0453218699819133 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 11:17:30 -68.579577 1.315822 LBFGSLineSearch: 1 11:17:32 -68.771761 0.582312 LBFGSLineSearch: 2 11:17:34 -68.784032 0.309690 LBFGSLineSearch: 3 11:17:37 -68.806672 0.531184 LBFGSLineSearch: 4 11:17:39 -68.819595 0.292160 LBFGSLineSearch: 5 11:17:41 -68.825989 0.280873 LBFGSLineSearch: 6 11:17:44 -68.834572 0.449472 LBFGSLineSearch: 7 11:17:47 -68.856399 0.341723 LBFGSLineSearch: 8 11:17:48 -68.860076 0.122813 LBFGSLineSearch: 9 11:17:51 -68.860724 0.049992 LBFGSLineSearch: 10 11:17:52 -68.860974 0.028385 LBFGSLineSearch: 11 11:17:54 -68.861106 0.032279 LBFGSLineSearch: 12 11:17:56 -68.861218 0.031157 LBFGSLineSearch: 13 11:17:58 -68.861347 0.040663 LBFGSLineSearch: 14 11:18:00 -68.861471 0.026617 LBFGSLineSearch: 15 11:18:01 -68.861580 0.021609 LBFGSLineSearch: 16 11:18:03 -68.861647 0.020796 LBFGSLineSearch: 17 11:18:04 -68.861755 0.014225 LBFGSLineSearch: 18 11:18:05 -68.861783 0.011477 LBFGSLineSearch: 19 11:18:06 -68.861814 0.011944 LBFGSLineSearch: 20 11:18:08 -68.861887 0.005472 LBFGSLineSearch: 21 11:18:09 -68.861890 0.004993 LBFGSLineSearch: 22 11:18:10 -68.861893 0.004652 LBFGSLineSearch: 23 11:18:10 -68.861901 0.004487 LBFGSLineSearch: 24 11:18:11 -68.861905 0.001770 LBFGSLineSearch: 25 11:18:12 -68.861905 0.000629 LBFGSLineSearch: 26 11:18:13 -68.861905 0.001065 LBFGSLineSearch: 27 11:18:14 -68.861905 0.000167 LBFGSLineSearch: 28 11:18:15 -68.861905 0.000013 LBFGSLineSearch: 29 11:18:16 -68.861905 0.000000