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_tI48_98_2cef_g" }, "stoichiometric-species": { "source-value": [ "O", "Si" ] }, "a": { "source-value": 5.8086, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 3.9063285, 0.55799706, 0.81446766, 0.22553953, 0.73478507, 0.25137136, 0.87305647, 0.56156261 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_282114775387_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 1.2143657176933507 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 14:48:47 -175.127472 1.717372 LBFGSLineSearch: 1 14:48:51 -175.321901 0.820618 LBFGSLineSearch: 2 14:48:53 -175.381325 0.356945 LBFGSLineSearch: 3 14:48:58 -175.431492 0.422845 LBFGSLineSearch: 4 14:49:02 -175.473314 0.261377 LBFGSLineSearch: 5 14:49:06 -175.490957 0.239191 LBFGSLineSearch: 6 14:49:10 -175.510616 0.132769 LBFGSLineSearch: 7 14:49:14 -175.515084 0.102199 LBFGSLineSearch: 8 14:49:20 -175.520589 0.113653 LBFGSLineSearch: 9 14:49:26 -175.526493 0.067779 LBFGSLineSearch: 10 14:49:30 -175.527236 0.062640 LBFGSLineSearch: 11 14:49:35 -175.527395 0.060876 LBFGSLineSearch: 12 14:49:40 -175.527738 0.054474 LBFGSLineSearch: 13 14:49:47 -175.530627 0.061688 LBFGSLineSearch: 14 14:49:53 -175.532475 0.022793 LBFGSLineSearch: 15 14:49:56 -175.532589 0.005101 LBFGSLineSearch: 16 14:49:58 -175.532596 0.000060 LBFGSLineSearch: 17 14:50:01 -175.532596 0.000001