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_mC16_12_4i" }, "stoichiometric-species": { "source-value": [ "Si" ] }, "a": { "source-value": 13.9056, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.27794558, 1.0489443, 154.3362, 0.18156111, 0.12588526, 0.90562063, 0.34640648, 0.15579867, 0.9429254, 0.14139464, 0.41433526 ] }, "library-prototype-label": { "source-value": "A_mC16_12_4i-001" }, "short-name": { "source-value": "M-carbon" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_789082330425_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 2.847585999145037 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 17:35:20 -14.190315 14.494230 LBFGSLineSearch: 1 17:35:22 -21.815665 5.313300 LBFGSLineSearch: 2 17:35:23 -22.263916 3.412626 LBFGSLineSearch: 3 17:35:25 -22.643439 3.389076 LBFGSLineSearch: 4 17:35:26 -22.890890 1.263051 LBFGSLineSearch: 5 17:35:27 -23.166418 1.539073 LBFGSLineSearch: 6 17:35:28 -23.359365 2.046690 LBFGSLineSearch: 7 17:35:30 -23.739230 4.065637 LBFGSLineSearch: 8 17:35:31 -24.075367 1.431465 LBFGSLineSearch: 9 17:35:33 -24.200841 1.018354 LBFGSLineSearch: 10 17:35:34 -24.222536 1.091129 LBFGSLineSearch: 11 17:35:35 -24.238342 0.453433 LBFGSLineSearch: 12 17:35:35 -24.249523 0.570846 LBFGSLineSearch: 13 17:35:36 -24.264713 1.022549 LBFGSLineSearch: 14 17:35:36 -24.317845 1.919154 LBFGSLineSearch: 15 17:35:37 -24.366382 0.709873 LBFGSLineSearch: 16 17:35:37 -24.400403 0.503616 LBFGSLineSearch: 17 17:35:38 -24.413879 0.335760 LBFGSLineSearch: 18 17:35:39 -24.429598 0.365262 LBFGSLineSearch: 19 17:35:40 -24.462167 0.777621 LBFGSLineSearch: 20 17:35:41 -24.490584 0.617265 LBFGSLineSearch: 21 17:35:41 -24.515195 1.420596 LBFGSLineSearch: 22 17:35:42 -24.534086 1.408807 LBFGSLineSearch: 23 17:35:43 -24.577093 1.007214 LBFGSLineSearch: 24 17:35:44 -24.585031 0.596120 LBFGSLineSearch: 25 17:35:45 -24.594391 0.881310 LBFGSLineSearch: 26 17:35:46 -24.605826 0.489526 LBFGSLineSearch: 27 17:35:47 -24.613495 0.316768 LBFGSLineSearch: 28 17:35:48 -24.618050 0.282695 LBFGSLineSearch: 29 17:35:49 -24.624098 0.401698 LBFGSLineSearch: 30 17:35:50 -24.629782 0.414326 LBFGSLineSearch: 31 17:35:51 -24.632415 0.139960 LBFGSLineSearch: 32 17:35:53 -24.633025 0.174242 LBFGSLineSearch: 33 17:35:54 -24.633386 0.108006 LBFGSLineSearch: 34 17:35:56 -24.634374 0.095598 LBFGSLineSearch: 35 17:35:57 -24.636866 0.273296 LBFGSLineSearch: 36 17:35:59 -24.638294 0.101753 LBFGSLineSearch: 37 17:36:01 -24.638493 0.033198 LBFGSLineSearch: 38 17:36:01 -24.638637 0.069822 LBFGSLineSearch: 39 17:36:03 -24.640733 0.243700 LBFGSLineSearch: 40 17:36:04 -24.643850 0.503900 LBFGSLineSearch: 41 17:36:05 -24.646705 0.417802 LBFGSLineSearch: 42 17:36:05 -24.648573 0.246409 LBFGSLineSearch: 43 17:36:06 -24.649285 0.233505 LBFGSLineSearch: 44 17:36:06 -24.649933 0.186659 LBFGSLineSearch: 45 17:36:07 -24.650396 0.112533 LBFGSLineSearch: 46 17:36:08 -24.650747 0.142200 LBFGSLineSearch: 47 17:36:08 -24.651003 0.062223 LBFGSLineSearch: 48 17:36:08 -24.651183 0.045659 LBFGSLineSearch: 49 17:36:09 -24.651285 0.040081 LBFGSLineSearch: 50 17:36:09 -24.651346 0.056568 LBFGSLineSearch: 51 17:36:09 -24.651392 0.029135 LBFGSLineSearch: 52 17:36:10 -24.651412 0.027848 LBFGSLineSearch: 53 17:36:10 -24.651425 0.023332 LBFGSLineSearch: 54 17:36:11 -24.651434 0.019056 LBFGSLineSearch: 55 17:36:12 -24.651444 0.020358 LBFGSLineSearch: 56 17:36:13 -24.651450 0.017072 LBFGSLineSearch: 57 17:36:14 -24.651457 0.010039 LBFGSLineSearch: 58 17:36:14 -24.651460 0.003601 LBFGSLineSearch: 59 17:36:14 -24.651461 0.004785 LBFGSLineSearch: 60 17:36:15 -24.651461 0.003391 LBFGSLineSearch: 61 17:36:15 -24.651461 0.002745 LBFGSLineSearch: 62 17:36:15 -24.651462 0.004606 LBFGSLineSearch: 63 17:36:16 -24.651462 0.001634 LBFGSLineSearch: 64 17:36:16 -24.651462 0.002516 LBFGSLineSearch: 65 17:36:16 -24.651462 0.003446 LBFGSLineSearch: 66 17:36:17 -24.651463 0.001210 LBFGSLineSearch: 67 17:36:17 -24.651463 0.000924 LBFGSLineSearch: 68 17:36:18 -24.651463 0.000753 LBFGSLineSearch: 69 17:36:18 -24.651463 0.001064 LBFGSLineSearch: 70 17:36:19 -24.651463 0.000370 LBFGSLineSearch: 71 17:36:19 -24.651463 0.000614 LBFGSLineSearch: 72 17:36:20 -24.651463 0.000554 LBFGSLineSearch: 73 17:36:21 -24.651463 0.000241 LBFGSLineSearch: 74 17:36:21 -24.651463 0.000200 LBFGSLineSearch: 75 17:36:21 -24.651463 0.000194 LBFGSLineSearch: 76 17:36:22 -24.651463 0.000228 LBFGSLineSearch: 77 17:36:22 -24.651463 0.000136 LBFGSLineSearch: 78 17:36:22 -24.651463 0.000171 LBFGSLineSearch: 79 17:36:23 -24.651463 0.000055 LBFGSLineSearch: 80 17:36:23 -24.651463 0.000053 LBFGSLineSearch: 81 17:36:23 -24.651463 0.000044 LBFGSLineSearch: 82 17:36:23 -24.651463 0.000011 LBFGSLineSearch: 83 17:36:23 -24.651463 0.000026 LBFGSLineSearch: 84 17:36:23 -24.651463 0.000025 LBFGSLineSearch: 85 17:36:23 -24.651463 0.000005