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_tP48_126_f2hi_k" }, "stoichiometric-species": { "source-value": [ "O", "Si" ] }, "a": { "source-value": 11.2139, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.44264707, 0.14765796, 0.86682448, 0.54461098, 0.14017105, 0.45438195, 0.46837408 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_833055608083_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 7.617730056599369 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 14:01:01 -282.924100 10.773097 LBFGSLineSearch: 1 14:01:03 -289.664231 6.655870 LBFGSLineSearch: 2 14:01:05 -294.036433 2.471944 LBFGSLineSearch: 3 14:01:06 -296.809537 3.346805 LBFGSLineSearch: 4 14:01:07 -297.985282 2.889018 LBFGSLineSearch: 5 14:01:08 -299.155460 3.537139 LBFGSLineSearch: 6 14:01:10 -299.956203 3.732043 LBFGSLineSearch: 7 14:01:13 -301.617531 3.345059 LBFGSLineSearch: 8 14:01:17 -304.368392 2.065341 LBFGSLineSearch: 9 14:01:24 -307.589069 2.133482 LBFGSLineSearch: 10 14:01:31 -310.237076 2.251618 LBFGSLineSearch: 11 14:01:37 -312.355413 2.012917 LBFGSLineSearch: 12 14:01:41 -313.711231 1.347518 LBFGSLineSearch: 13 14:01:43 -315.355864 1.476437 LBFGSLineSearch: 14 14:01:45 -316.131849 0.777198 LBFGSLineSearch: 15 14:01:47 -316.231647 0.790812 LBFGSLineSearch: 16 14:01:49 -316.272277 0.628735 LBFGSLineSearch: 17 14:01:51 -316.453094 0.683982 LBFGSLineSearch: 18 14:01:54 -316.611673 0.735533 LBFGSLineSearch: 19 14:01:55 -316.805592 0.603049 LBFGSLineSearch: 20 14:01:58 -317.178106 1.628114 LBFGSLineSearch: 21 14:02:03 -318.877728 1.166461 LBFGSLineSearch: 22 14:02:07 -319.480606 0.885091 LBFGSLineSearch: 23 14:02:10 -319.691165 0.194351 LBFGSLineSearch: 24 14:02:12 -319.709371 0.058966 LBFGSLineSearch: 25 14:02:15 -319.713496 0.014420 LBFGSLineSearch: 26 14:02:16 -319.713599 0.004970 LBFGSLineSearch: 27 14:02:17 -319.713604 0.000612 LBFGSLineSearch: 28 14:02:19 -319.713604 0.000405 LBFGSLineSearch: 29 14:02:20 -319.713604 0.000082 LBFGSLineSearch: 30 14:02:21 -319.713604 0.000012 LBFGSLineSearch: 31 14:02:23 -319.713604 0.000002