Model name? Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_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_oI120_71_lmn6o" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 16.9765, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.53839131, 0.53253026, 0.087794084, 0.41181715, 0.79695569, 0.077206239, 0.95291847, 0.41287669, 0.84820465, 0.25285259, 0.080318454, 0.91460436, 0.33504004, 0.12991053, 0.82302819, 0.12822295, 0.15791096, 0.95658327, 0.28466999, 0.25169645, 0.86554334, 0.080688437, 0.28688349, 0.93091231, 0.15926312, 0.33373657 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_557254925396_000" ] ] }, "duplicate_reference_data": [ "RD_837406006847_000" ] } ] NOTE: The configuration you provided has a maximum force component 1.9916827770129286 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 16:17:19 -410.716270 2.016554 LBFGSLineSearch: 1 16:17:22 -411.174280 0.648935 LBFGSLineSearch: 2 16:17:24 -411.266299 0.421849 LBFGSLineSearch: 3 16:17:27 -411.343459 0.435693 LBFGSLineSearch: 4 16:17:29 -411.368564 0.170937 LBFGSLineSearch: 5 16:17:33 -411.379023 0.202094 LBFGSLineSearch: 6 16:17:36 -411.384587 0.080068 LBFGSLineSearch: 7 16:17:40 -411.388670 0.061330 LBFGSLineSearch: 8 16:17:44 -411.390449 0.062512 LBFGSLineSearch: 9 16:17:48 -411.392358 0.063775 LBFGSLineSearch: 10 16:17:51 -411.393630 0.063550 LBFGSLineSearch: 11 16:17:54 -411.394845 0.062261 LBFGSLineSearch: 12 16:17:57 -411.395684 0.062559 LBFGSLineSearch: 13 16:18:00 -411.396306 0.061348 LBFGSLineSearch: 14 16:18:02 -411.396688 0.062027 LBFGSLineSearch: 15 16:18:06 -411.397096 0.061117 LBFGSLineSearch: 16 16:18:09 -411.398542 0.070781 LBFGSLineSearch: 17 16:18:12 -411.399995 0.054368 LBFGSLineSearch: 18 16:18:16 -411.401199 0.049435 LBFGSLineSearch: 19 16:18:20 -411.404239 0.094069 LBFGSLineSearch: 20 16:18:23 -411.406449 0.062801 LBFGSLineSearch: 21 16:18:25 -411.408300 0.054005 LBFGSLineSearch: 22 16:18:29 -411.409922 0.057304 LBFGSLineSearch: 23 16:18:33 -411.412579 0.029603 LBFGSLineSearch: 24 16:18:35 -411.412768 0.029273 LBFGSLineSearch: 25 16:18:38 -411.412871 0.028241 LBFGSLineSearch: 26 16:18:42 -411.412977 0.026413 LBFGSLineSearch: 27 16:18:46 -411.413147 0.026807 LBFGSLineSearch: 28 16:18:50 -411.413513 0.026795 LBFGSLineSearch: 29 16:18:54 -411.413740 0.025004 LBFGSLineSearch: 30 16:18:57 -411.414392 0.025272 LBFGSLineSearch: 31 16:19:00 -411.415401 0.051856 LBFGSLineSearch: 32 16:19:03 -411.418069 0.049271 LBFGSLineSearch: 33 16:19:07 -411.424256 0.213103 LBFGSLineSearch: 34 16:19:16 -411.443370 0.305220 LBFGSLineSearch: 35 16:19:24 -411.459519 0.200211 LBFGSLineSearch: 36 16:19:30 -411.467178 0.129271 LBFGSLineSearch: 37 16:19:35 -411.469484 0.113277 LBFGSLineSearch: 38 16:19:41 -411.470316 0.113151 LBFGSLineSearch: 39 16:19:48 -411.478575 0.135030 LBFGSLineSearch: 40 16:19:56 -411.507673 0.167074 LBFGSLineSearch: 41 16:20:03 -411.536271 0.178319 LBFGSLineSearch: 42 16:20:09 -411.569761 0.194847 LBFGSLineSearch: 43 16:20:12 -411.589916 0.129113 LBFGSLineSearch: 44 16:20:14 -411.595528 0.080243 LBFGSLineSearch: 45 16:20:17 -411.598070 0.035912 LBFGSLineSearch: 46 16:20:19 -411.598521 0.005721 LBFGSLineSearch: 47 16:20:21 -411.598547 0.001836 LBFGSLineSearch: 48 16:20:23 -411.598548 0.000300 LBFGSLineSearch: 49 16:20:25 -411.598548 0.000059 LBFGSLineSearch: 50 16:20:31 -411.598548 0.000018 LBFGSLineSearch: 51 16:20:35 -411.598548 0.000002