Model name? Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_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_oC92_63_ce2f2g3h" }, "stoichiometric-species": { "source-value": [ "Si" ] }, "a": { "source-value": 16.8175, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.76472127, 0.59618255, 0.14451121, 0.3989819, 0.75155355, 0.56020189, 0.57865634, 0.63103039, 0.61588756, 0.5449893, 0.92923425, 0.87216844, 0.11899988, 0.78738309, 0.44063684, 0.17613844, 0.62454305, 0.37329271, 0.3077052, 0.58172809, 0.44099105 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_450277629393_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 7.882603238415813 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 18:40:47 -75.226844 14.329541 LBFGSLineSearch: 1 18:40:49 -107.407369 8.058407 LBFGSLineSearch: 2 18:40:52 -122.370202 6.957773 LBFGSLineSearch: 3 18:40:56 -126.511985 3.204428 LBFGSLineSearch: 4 18:40:58 -127.870092 1.570759 LBFGSLineSearch: 5 18:41:00 -128.208479 1.267669 LBFGSLineSearch: 6 18:41:05 -128.413289 1.028031 LBFGSLineSearch: 7 18:41:08 -128.594278 1.088324 LBFGSLineSearch: 8 18:41:12 -129.265142 3.609361 LBFGSLineSearch: 9 18:41:15 -130.598180 2.129634 LBFGSLineSearch: 10 18:41:19 -130.973889 1.282431 LBFGSLineSearch: 11 18:41:22 -131.051140 1.069304 LBFGSLineSearch: 12 18:41:24 -131.113426 0.505803 LBFGSLineSearch: 13 18:41:27 -131.167593 0.433491 LBFGSLineSearch: 14 18:41:28 -131.400510 1.400956 LBFGSLineSearch: 15 18:41:29 -131.733863 0.896029 LBFGSLineSearch: 16 18:41:31 -131.801513 0.658166 LBFGSLineSearch: 17 18:41:34 -131.820553 0.305203 LBFGSLineSearch: 18 18:41:37 -131.866599 0.837863 LBFGSLineSearch: 19 18:41:40 -131.924994 0.729999 LBFGSLineSearch: 20 18:41:44 -131.986732 0.271870 LBFGSLineSearch: 21 18:41:49 -132.002309 0.373597 LBFGSLineSearch: 22 18:41:51 -132.016548 0.249931 LBFGSLineSearch: 23 18:41:54 -132.028169 0.142499 LBFGSLineSearch: 24 18:41:57 -132.036241 0.204260 LBFGSLineSearch: 25 18:42:02 -132.058079 0.277097 LBFGSLineSearch: 26 18:42:07 -132.077612 0.233730 LBFGSLineSearch: 27 18:42:11 -132.086250 0.153269 LBFGSLineSearch: 28 18:42:15 -132.089740 0.139909 LBFGSLineSearch: 29 18:42:19 -132.093681 0.130961 LBFGSLineSearch: 30 18:42:22 -132.112629 0.357019 LBFGSLineSearch: 31 18:42:23 -132.137157 0.195205 LBFGSLineSearch: 32 18:42:26 -132.141432 0.133081 LBFGSLineSearch: 33 18:42:28 -132.144918 0.183613 LBFGSLineSearch: 34 18:42:29 -132.166394 0.359192 LBFGSLineSearch: 35 18:42:31 -132.179586 0.204895 LBFGSLineSearch: 36 18:42:32 -132.186117 0.100044 LBFGSLineSearch: 37 18:42:35 -132.188746 0.105885 LBFGSLineSearch: 38 18:42:40 -132.200804 0.456547 LBFGSLineSearch: 39 18:42:44 -132.237492 0.424397 LBFGSLineSearch: 40 18:42:48 -132.254907 0.321241 LBFGSLineSearch: 41 18:42:52 -132.259172 0.108564 LBFGSLineSearch: 42 18:42:55 -132.261782 0.077205 LBFGSLineSearch: 43 18:42:59 -132.264817 0.099621 LBFGSLineSearch: 44 18:43:00 -132.266697 0.312727 LBFGSLineSearch: 45 18:43:01 -132.272875 0.102443 LBFGSLineSearch: 46 18:43:02 -132.276520 0.070060 LBFGSLineSearch: 47 18:43:03 -132.278468 0.031362 LBFGSLineSearch: 48 18:43:04 -132.278832 0.043605 LBFGSLineSearch: 49 18:43:05 -132.280043 0.087819 LBFGSLineSearch: 50 18:43:08 -132.281854 0.080212 LBFGSLineSearch: 51 18:43:10 -132.282709 0.023827 LBFGSLineSearch: 52 18:43:12 -132.282780 0.025522 LBFGSLineSearch: 53 18:43:15 -132.282911 0.048057 LBFGSLineSearch: 54 18:43:19 -132.287707 0.032280 LBFGSLineSearch: 55 18:43:20 -132.288320 0.022065 LBFGSLineSearch: 56 18:43:22 -132.288379 0.026009 LBFGSLineSearch: 57 18:43:24 -132.288443 0.029729 LBFGSLineSearch: 58 18:43:25 -132.289774 0.070768 LBFGSLineSearch: 59 18:43:26 -132.292901 0.091271 LBFGSLineSearch: 60 18:43:27 -132.294350 0.020281 LBFGSLineSearch: 61 18:43:28 -132.294386 0.003918 LBFGSLineSearch: 62 18:43:28 -132.294388 0.001065 LBFGSLineSearch: 63 18:43:29 -132.294388 0.000139 LBFGSLineSearch: 64 18:43:30 -132.294388 0.000063 LBFGSLineSearch: 65 18:43:31 -132.294388 0.000004