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_mC72_5_12c_ab5c" }, "stoichiometric-species": { "source-value": [ "O", "Si" ] }, "a": { "source-value": 13.7426, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 1.002605, 0.71075342, 89.8996, 0.71156954, 0.28756338, 0.25617484, 0.73251933, 0.23106435, 0.23531536, 0.56074042, 0.12381794, 0.76451479, 0.43851711, 0.62485211, 0.93875667, 0.23596385, 0.37578981, 0.060525646, 0.76404866, 0.8756396, 0.082452743, 0.65891552, 0.095317351, 0.91822479, 0.34117668, 0.59537201, 0.34205783, 0.58297604, 0.34701327, 0.65845888, 0.41729957, 0.84606861, 0.232347, 0.74379602, 0.98082004, 0.7676371, 0.25583288, 0.47998259, 0.74384278, 0.2681329, 0.73036111, 0.71153792, 0.50047257, 0.75024911, 0.17378943, 0.79913936, 0.85728546, 0.82678334, 0.20134132, 0.35751208, 0.79986798, 0.3255678, 0.60703473, 0.20053519, 0.6739935, 0.10833149 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_649216551945_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 2.201266143425117 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 12:33:21 -262.118975 2.774105 LBFGSLineSearch: 1 12:33:24 -263.414145 1.334377 LBFGSLineSearch: 2 12:33:27 -263.712928 0.363115 LBFGSLineSearch: 3 12:33:29 -263.733485 0.284451 LBFGSLineSearch: 4 12:33:30 -263.756602 0.196146 LBFGSLineSearch: 5 12:33:32 -263.774674 0.216356 LBFGSLineSearch: 6 12:33:33 -263.790479 0.194053 LBFGSLineSearch: 7 12:33:34 -263.828432 0.317387 LBFGSLineSearch: 8 12:33:35 -263.885027 0.503742 LBFGSLineSearch: 9 12:33:37 -263.940994 0.352953 LBFGSLineSearch: 10 12:33:39 -263.978927 0.492386 LBFGSLineSearch: 11 12:33:40 -264.057608 0.517690 LBFGSLineSearch: 12 12:33:42 -264.195585 0.886841 LBFGSLineSearch: 13 12:33:45 -264.263646 0.353550 LBFGSLineSearch: 14 12:33:47 -264.306187 0.209573 LBFGSLineSearch: 15 12:33:51 -264.316955 0.166499 LBFGSLineSearch: 16 12:33:53 -264.325222 0.186947 LBFGSLineSearch: 17 12:33:54 -264.330159 0.108728 LBFGSLineSearch: 18 12:33:55 -264.334109 0.115264 LBFGSLineSearch: 19 12:33:55 -264.335751 0.108977 LBFGSLineSearch: 20 12:33:56 -264.337946 0.096782 LBFGSLineSearch: 21 12:33:58 -264.342841 0.099902 LBFGSLineSearch: 22 12:33:59 -264.346753 0.125352 LBFGSLineSearch: 23 12:34:00 -264.352726 0.167699 LBFGSLineSearch: 24 12:34:01 -264.359033 0.153762 LBFGSLineSearch: 25 12:34:02 -264.365346 0.144088 LBFGSLineSearch: 26 12:34:04 -264.371970 0.177773 LBFGSLineSearch: 27 12:34:05 -264.375851 0.078565 LBFGSLineSearch: 28 12:34:07 -264.376583 0.033125 LBFGSLineSearch: 29 12:34:09 -264.376767 0.027276 LBFGSLineSearch: 30 12:34:10 -264.377334 0.034873 LBFGSLineSearch: 31 12:34:11 -264.377710 0.033412 LBFGSLineSearch: 32 12:34:12 -264.378182 0.041997 LBFGSLineSearch: 33 12:34:13 -264.378639 0.024486 LBFGSLineSearch: 34 12:34:15 -264.378855 0.028792 LBFGSLineSearch: 35 12:34:16 -264.379007 0.023092 LBFGSLineSearch: 36 12:34:18 -264.379113 0.011487 LBFGSLineSearch: 37 12:34:18 -264.379176 0.025412 LBFGSLineSearch: 38 12:34:18 -264.379386 0.027329 LBFGSLineSearch: 39 12:34:20 -264.379516 0.018514 LBFGSLineSearch: 40 12:34:21 -264.379587 0.017020 LBFGSLineSearch: 41 12:34:22 -264.379701 0.014946 LBFGSLineSearch: 42 12:34:22 -264.379774 0.015852 LBFGSLineSearch: 43 12:34:24 -264.379854 0.017560 LBFGSLineSearch: 44 12:34:25 -264.379964 0.022562 LBFGSLineSearch: 45 12:34:26 -264.380257 0.044442 LBFGSLineSearch: 46 12:34:27 -264.381397 0.077835 LBFGSLineSearch: 47 12:34:28 -264.382445 0.028221 LBFGSLineSearch: 48 12:34:29 -264.382581 0.019993 LBFGSLineSearch: 49 12:34:31 -264.382652 0.013165 LBFGSLineSearch: 50 12:34:32 -264.382699 0.011191 LBFGSLineSearch: 51 12:34:33 -264.382731 0.007511 LBFGSLineSearch: 52 12:34:34 -264.382744 0.004424 LBFGSLineSearch: 53 12:34:36 -264.382749 0.003355 LBFGSLineSearch: 54 12:34:38 -264.382752 0.002852 LBFGSLineSearch: 55 12:34:39 -264.382755 0.002079 LBFGSLineSearch: 56 12:34:40 -264.382756 0.002053 LBFGSLineSearch: 57 12:34:40 -264.382758 0.003458 LBFGSLineSearch: 58 12:34:41 -264.382764 0.001855 LBFGSLineSearch: 59 12:34:42 -264.382765 0.001704 LBFGSLineSearch: 60 12:34:42 -264.382765 0.001599 LBFGSLineSearch: 61 12:34:44 -264.382766 0.001796 LBFGSLineSearch: 62 12:34:45 -264.382767 0.001734 LBFGSLineSearch: 63 12:34:45 -264.382769 0.001407 LBFGSLineSearch: 64 12:34:46 -264.382773 0.003476 LBFGSLineSearch: 65 12:34:47 -264.382779 0.001408 LBFGSLineSearch: 66 12:34:48 -264.382780 0.001046 LBFGSLineSearch: 67 12:34:50 -264.382780 0.001160 LBFGSLineSearch: 68 12:34:51 -264.382781 0.000285 LBFGSLineSearch: 69 12:34:51 -264.382781 0.000072 LBFGSLineSearch: 70 12:34:52 -264.382781 0.000074 LBFGSLineSearch: 71 12:34:53 -264.382781 0.000227 LBFGSLineSearch: 72 12:34:53 -264.382781 0.000097 LBFGSLineSearch: 73 12:34:54 -264.382781 0.000259 LBFGSLineSearch: 74 12:34:55 -264.382781 0.000222 LBFGSLineSearch: 75 12:34:56 -264.382781 0.000377 LBFGSLineSearch: 76 12:34:56 -264.382781 0.000073 LBFGSLineSearch: 77 12:34:56 -264.382781 0.000050 LBFGSLineSearch: 78 12:34:57 -264.382781 0.000079 LBFGSLineSearch: 79 12:34:58 -264.382781 0.000034 LBFGSLineSearch: 80 12:34:59 -264.382781 0.000040 LBFGSLineSearch: 81 12:34:59 -264.382781 0.000021 LBFGSLineSearch: 82 12:34:59 -264.382781 0.000022 LBFGSLineSearch: 83 12:35:00 -264.382781 0.000005