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_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 23.605301034562377 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 16:17:20 -204.845896 24.675820 LBFGSLineSearch: 1 16:17:22 -266.893009 18.693024 LBFGSLineSearch: 2 16:17:25 -291.868075 6.387756 LBFGSLineSearch: 3 16:17:28 -300.081256 8.851670 LBFGSLineSearch: 4 16:17:34 -302.472932 5.154036 LBFGSLineSearch: 5 16:17:38 -306.705014 7.347532 LBFGSLineSearch: 6 16:17:42 -308.090672 6.762472 LBFGSLineSearch: 7 16:17:46 -309.044818 2.997923 LBFGSLineSearch: 8 16:17:50 -309.431800 2.021376 LBFGSLineSearch: 9 16:17:54 -309.745875 1.381873 LBFGSLineSearch: 10 16:17:58 -309.987140 0.638763 LBFGSLineSearch: 11 16:18:01 -310.105394 0.472912 LBFGSLineSearch: 12 16:18:03 -310.191911 0.437986 LBFGSLineSearch: 13 16:18:06 -310.305405 0.665457 LBFGSLineSearch: 14 16:18:10 -310.517546 0.382599 LBFGSLineSearch: 15 16:18:14 -310.610842 0.659133 LBFGSLineSearch: 16 16:18:17 -310.772248 0.377107 LBFGSLineSearch: 17 16:18:20 -310.796394 1.620969 LBFGSLineSearch: 18 16:18:22 -310.872626 0.436932 LBFGSLineSearch: 19 16:18:24 -310.940042 0.484387 LBFGSLineSearch: 20 16:18:26 -311.017120 0.809145 LBFGSLineSearch: 21 16:18:30 -311.081661 0.409895 LBFGSLineSearch: 22 16:18:32 -311.162650 0.540320 LBFGSLineSearch: 23 16:18:35 -311.259340 0.492047 LBFGSLineSearch: 24 16:18:38 -311.349383 0.565410 LBFGSLineSearch: 25 16:18:42 -311.476075 0.857859 LBFGSLineSearch: 26 16:18:46 -311.505019 0.520558 LBFGSLineSearch: 27 16:18:50 -311.623624 1.320431 LBFGSLineSearch: 28 16:18:54 -311.730892 0.377126 LBFGSLineSearch: 29 16:18:58 -311.824585 0.633581 LBFGSLineSearch: 30 16:19:02 -311.913470 1.263760 LBFGSLineSearch: 31 16:19:06 -312.131478 0.623578 LBFGSLineSearch: 32 16:19:12 -312.399508 0.712885 LBFGSLineSearch: 33 16:19:16 -312.619433 0.820342 LBFGSLineSearch: 34 16:19:20 -312.756240 0.385877 LBFGSLineSearch: 35 16:19:23 -312.831996 0.311643 LBFGSLineSearch: 36 16:19:25 -312.900469 0.336227 LBFGSLineSearch: 37 16:19:27 -312.953983 0.355548 LBFGSLineSearch: 38 16:19:29 -313.021289 0.414383 LBFGSLineSearch: 39 16:19:30 -313.103241 0.221201 LBFGSLineSearch: 40 16:19:33 -313.123372 0.205368 LBFGSLineSearch: 41 16:19:36 -313.141804 0.283883 LBFGSLineSearch: 42 16:19:39 -313.151131 0.159339 LBFGSLineSearch: 43 16:19:42 -313.162607 0.259655 LBFGSLineSearch: 44 16:19:45 -313.180219 0.264264 LBFGSLineSearch: 45 16:19:46 -313.182610 0.081878 LBFGSLineSearch: 46 16:19:47 -313.184763 0.102490 LBFGSLineSearch: 47 16:19:50 -313.185963 0.046344 LBFGSLineSearch: 48 16:19:54 -313.186170 0.025659 LBFGSLineSearch: 49 16:19:56 -313.186379 0.035222 LBFGSLineSearch: 50 16:19:59 -313.186443 0.009612 LBFGSLineSearch: 51 16:20:01 -313.186461 0.006103 LBFGSLineSearch: 52 16:20:03 -313.186478 0.015006 LBFGSLineSearch: 53 16:20:05 -313.186495 0.015939 LBFGSLineSearch: 54 16:20:08 -313.186502 0.004774 LBFGSLineSearch: 55 16:20:09 -313.186504 0.004252 LBFGSLineSearch: 56 16:20:14 -313.186524 0.006971 LBFGSLineSearch: 57 16:20:17 -313.186532 0.004352 LBFGSLineSearch: 58 16:20:20 -313.186536 0.003935 LBFGSLineSearch: 59 16:20:25 -313.186539 0.004262 LBFGSLineSearch: 60 16:20:29 -313.186552 0.004116 LBFGSLineSearch: 61 16:20:33 -313.186558 0.005350 LBFGSLineSearch: 62 16:20:37 -313.186623 0.015031 LBFGSLineSearch: 63 16:20:40 -313.186675 0.008066 LBFGSLineSearch: 64 16:20:41 -313.186683 0.007107 LBFGSLineSearch: 65 16:20:44 -313.186694 0.005756 LBFGSLineSearch: 66 16:20:49 -313.186791 0.001218 LBFGSLineSearch: 67 16:20:52 -313.186791 0.000105 LBFGSLineSearch: 68 16:20:56 -313.186791 0.000003