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_aP24_1_16a_8a" }, "stoichiometric-species": { "source-value": [ "O", "Si" ] }, "a": { "source-value": 2.8215, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 4.2236399, 4.1878433, 89.1933, 83.3937, 84.6739, 0.2043295, 0.088942776, 0.57447236, 0.97819114, 0.35395728, 0.75737962, 0.04680046, 0.64753587, 0.21450843, 0.8027175, 0.22863735, 0.34421514, 0.33291893, 0.77471343, 0.62485469, 0.74138487, 0.75751151, 0.81546994, 0.3720041, 0.22221791, 0.1514872, 0.57197545, 0.1639884, 0.75055041, 0.47209035, 0.83577502, 0.23041548, 0.41954618, 0.2834376, 0.93638494, 0.59335149, 0.72603733, 0.038095454, 0.7236541, 0.94796845, 0.70319933, 0.391345, 0.047253492, 0.28581551, 0.23710695, 0.59096889, 0.90380192, 0.81236058, 0.39948492, 0.087101354, 0.87519661, 0.90170124, 0.40848631, 0.40494091, 0.92096678, 0.33754481, 0.67479818, 0.07296891, 0.647619, 0.34895939, 0.18381507, 0.28503095, 0.78757421, 0.81148042, 0.68868476, 0.54107124, 0.71048161, 0.17594135, 0.48227273, 0.29256365, 0.79812131, 0.70340176, 0.66291467, 0.91489766, 0.34989836, 0.32990743, 0.065612077 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_286603381193_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 3.181338781998842 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 17:54:52 -174.928553 3.206643 LBFGSLineSearch: 1 17:54:54 -175.928428 1.353228 LBFGSLineSearch: 2 17:54:56 -176.182950 0.772174 LBFGSLineSearch: 3 17:54:59 -176.220707 0.763296 LBFGSLineSearch: 4 17:55:03 -176.262840 0.679818 LBFGSLineSearch: 5 17:55:07 -176.398890 0.515814 LBFGSLineSearch: 6 17:55:10 -176.457152 0.507516 LBFGSLineSearch: 7 17:55:12 -176.492285 0.432037 LBFGSLineSearch: 8 17:55:16 -176.510069 0.209700 LBFGSLineSearch: 9 17:55:21 -176.518488 0.149249 LBFGSLineSearch: 10 17:55:23 -176.526386 0.229368 LBFGSLineSearch: 11 17:55:25 -176.533599 0.116665 LBFGSLineSearch: 12 17:55:32 -176.536787 0.163979 LBFGSLineSearch: 13 17:55:36 -176.538061 0.059592 LBFGSLineSearch: 14 17:55:42 -176.539876 0.144542 LBFGSLineSearch: 15 17:55:48 -176.542982 0.103568 LBFGSLineSearch: 16 17:55:54 -176.545852 0.133719 LBFGSLineSearch: 17 17:55:59 -176.547472 0.111225 LBFGSLineSearch: 18 17:56:06 -176.548429 0.057029 LBFGSLineSearch: 19 17:56:13 -176.549115 0.056285 LBFGSLineSearch: 20 17:56:18 -176.549699 0.053330 LBFGSLineSearch: 21 17:56:24 -176.550331 0.042962 LBFGSLineSearch: 22 17:56:29 -176.550758 0.046358 LBFGSLineSearch: 23 17:56:36 -176.551122 0.049489 LBFGSLineSearch: 24 17:56:42 -176.551656 0.058385 LBFGSLineSearch: 25 17:56:44 -176.551837 0.033159 LBFGSLineSearch: 26 17:56:46 -176.551975 0.030215 LBFGSLineSearch: 27 17:56:49 -176.552118 0.038367 LBFGSLineSearch: 28 17:56:55 -176.552270 0.021293 LBFGSLineSearch: 29 17:56:59 -176.552409 0.041071 LBFGSLineSearch: 30 17:57:02 -176.552507 0.025625 LBFGSLineSearch: 31 17:57:07 -176.552700 0.024033 LBFGSLineSearch: 32 17:57:12 -176.552809 0.036284 LBFGSLineSearch: 33 17:57:19 -176.552927 0.023517 LBFGSLineSearch: 34 17:57:25 -176.553000 0.018356 LBFGSLineSearch: 35 17:57:30 -176.553070 0.034782 LBFGSLineSearch: 36 17:57:37 -176.553169 0.015430 LBFGSLineSearch: 37 17:57:43 -176.553204 0.011097 LBFGSLineSearch: 38 17:57:49 -176.553229 0.011223 LBFGSLineSearch: 39 17:57:54 -176.553265 0.023611 LBFGSLineSearch: 40 17:58:00 -176.553435 0.021836 LBFGSLineSearch: 41 17:58:05 -176.553557 0.029253 LBFGSLineSearch: 42 17:58:09 -176.553695 0.015073 LBFGSLineSearch: 43 17:58:14 -176.553789 0.026808 LBFGSLineSearch: 44 17:58:18 -176.553970 0.027597 LBFGSLineSearch: 45 17:58:25 -176.554087 0.029591 LBFGSLineSearch: 46 17:58:31 -176.554194 0.016302 LBFGSLineSearch: 47 17:58:36 -176.554379 0.021108 LBFGSLineSearch: 48 17:58:40 -176.555310 0.103019 LBFGSLineSearch: 49 17:58:44 -176.557322 0.180394 LBFGSLineSearch: 50 17:58:51 -176.558870 0.218175 LBFGSLineSearch: 51 17:58:55 -176.559719 0.215765 LBFGSLineSearch: 52 17:58:58 -176.568399 0.177015 LBFGSLineSearch: 53 17:59:04 -176.574267 0.223186 LBFGSLineSearch: 54 17:59:10 -176.584427 0.231245 LBFGSLineSearch: 55 17:59:14 -176.594796 0.212186 LBFGSLineSearch: 56 17:59:18 -176.607693 0.293506 LBFGSLineSearch: 57 17:59:22 -176.617647 0.181857 LBFGSLineSearch: 58 17:59:26 -176.625012 0.147002 LBFGSLineSearch: 59 17:59:30 -176.629683 0.121373 LBFGSLineSearch: 60 17:59:35 -176.633458 0.124317 LBFGSLineSearch: 61 17:59:39 -176.641400 0.155995 LBFGSLineSearch: 62 17:59:43 -176.645650 0.146734 LBFGSLineSearch: 63 17:59:48 -176.650305 0.073582 LBFGSLineSearch: 64 17:59:49 -176.651298 0.034642 LBFGSLineSearch: 65 17:59:51 -176.651525 0.023833 LBFGSLineSearch: 66 17:59:54 -176.651738 0.023920 LBFGSLineSearch: 67 17:59:58 -176.651902 0.031369 LBFGSLineSearch: 68 18:00:01 -176.652172 0.021098 LBFGSLineSearch: 69 18:00:04 -176.652358 0.019681 LBFGSLineSearch: 70 18:00:06 -176.652443 0.014785 LBFGSLineSearch: 71 18:00:09 -176.652495 0.015913 LBFGSLineSearch: 72 18:00:12 -176.652621 0.018621 LBFGSLineSearch: 73 18:00:16 -176.652735 0.018662 LBFGSLineSearch: 74 18:00:18 -176.652803 0.012149 LBFGSLineSearch: 75 18:00:21 -176.652859 0.015947 LBFGSLineSearch: 76 18:00:24 -176.653047 0.020478 LBFGSLineSearch: 77 18:00:26 -176.653141 0.012970 LBFGSLineSearch: 78 18:00:28 -176.653181 0.009952 LBFGSLineSearch: 79 18:00:31 -176.653211 0.012872 LBFGSLineSearch: 80 18:00:33 -176.653263 0.015652 LBFGSLineSearch: 81 18:00:35 -176.653345 0.010807 LBFGSLineSearch: 82 18:00:39 -176.653373 0.009699 LBFGSLineSearch: 83 18:00:42 -176.653420 0.012036 LBFGSLineSearch: 84 18:00:44 -176.653501 0.012551 LBFGSLineSearch: 85 18:00:45 -176.653562 0.012373 LBFGSLineSearch: 86 18:00:47 -176.653589 0.008415 LBFGSLineSearch: 87 18:00:50 -176.653598 0.005788 LBFGSLineSearch: 88 18:00:51 -176.653603 0.003907 LBFGSLineSearch: 89 18:00:54 -176.653608 0.005868 LBFGSLineSearch: 90 18:00:56 -176.653629 0.008481 LBFGSLineSearch: 91 18:00:59 -176.653689 0.006750 LBFGSLineSearch: 92 18:01:00 -176.653705 0.008209 LBFGSLineSearch: 93 18:01:02 -176.653730 0.010236 LBFGSLineSearch: 94 18:01:04 -176.653966 0.006052 LBFGSLineSearch: 95 18:01:06 -176.653974 0.004142 LBFGSLineSearch: 96 18:01:09 -176.653980 0.004496 LBFGSLineSearch: 97 18:01:11 -176.653990 0.003060 LBFGSLineSearch: 98 18:01:14 -176.653993 0.002520 LBFGSLineSearch: 99 18:01:16 -176.653997 0.005240 LBFGSLineSearch: 100 18:01:21 -176.654015 0.010983 LBFGSLineSearch: 101 18:01:23 -176.654026 0.004272 LBFGSLineSearch: 102 18:01:25 -176.654030 0.002918 LBFGSLineSearch: 103 18:01:27 -176.654033 0.003789 LBFGSLineSearch: 104 18:01:29 -176.654043 0.006180 LBFGSLineSearch: 105 18:01:31 -176.654051 0.003882 LBFGSLineSearch: 106 18:01:33 -176.654076 0.006335 LBFGSLineSearch: 107 18:01:36 -176.654391 0.026558 LBFGSLineSearch: 108 18:01:38 -176.654645 0.011377 LBFGSLineSearch: 109 18:01:41 -176.654698 0.013343 LBFGSLineSearch: 110 18:01:44 -176.656792 0.167782 LBFGSLineSearch: 111 18:01:47 -176.656796 0.171765 LBFGSLineSearch: 112 18:01:49 -176.658141 0.127251 LBFGSLineSearch: 113 18:01:51 -176.659131 0.042545 LBFGSLineSearch: 114 18:01:53 -176.659531 0.084108 LBFGSLineSearch: 115 18:01:55 -176.660609 0.045362 LBFGSLineSearch: 116 18:01:57 -176.664936 0.165612 LBFGSLineSearch: 117 18:02:00 -176.674235 0.317541 LBFGSLineSearch: 118 18:02:02 -176.683423 0.217751 LBFGSLineSearch: 119 18:02:04 -176.699016 0.321194 LBFGSLineSearch: 120 18:02:06 -176.719504 0.447189 LBFGSLineSearch: 121 18:02:07 -176.730611 0.242179 LBFGSLineSearch: 122 18:02:10 -176.734289 0.171306 LBFGSLineSearch: 123 18:02:11 -176.737848 0.119311 LBFGSLineSearch: 124 18:02:13 -176.739999 0.059792 LBFGSLineSearch: 125 18:02:15 -176.741076 0.060092 LBFGSLineSearch: 126 18:02:17 -176.741701 0.047158 LBFGSLineSearch: 127 18:02:20 -176.742234 0.045391 LBFGSLineSearch: 128 18:02:21 -176.742637 0.045757 LBFGSLineSearch: 129 18:02:23 -176.743257 0.083843 LBFGSLineSearch: 130 18:02:25 -176.745121 0.086469 LBFGSLineSearch: 131 18:02:27 -176.747413 0.116937 LBFGSLineSearch: 132 18:02:29 -176.751457 0.095046 LBFGSLineSearch: 133 18:02:30 -176.752795 0.053645 LBFGSLineSearch: 134 18:02:32 -176.753745 0.044020 LBFGSLineSearch: 135 18:02:33 -176.754073 0.042301 LBFGSLineSearch: 136 18:02:35 -176.754441 0.030867 LBFGSLineSearch: 137 18:02:37 -176.754706 0.039032 LBFGSLineSearch: 138 18:02:40 -176.755271 0.043668 LBFGSLineSearch: 139 18:02:42 -176.756432 0.062335 LBFGSLineSearch: 140 18:02:43 -176.757012 0.028541 LBFGSLineSearch: 141 18:02:45 -176.757164 0.016763 LBFGSLineSearch: 142 18:02:46 -176.757204 0.012351 LBFGSLineSearch: 143 18:02:47 -176.757230 0.007207 LBFGSLineSearch: 144 18:02:49 -176.757241 0.004743 LBFGSLineSearch: 145 18:02:51 -176.757246 0.002624 LBFGSLineSearch: 146 18:02:53 -176.757248 0.001951 LBFGSLineSearch: 147 18:02:54 -176.757249 0.001639 LBFGSLineSearch: 148 18:02:56 -176.757249 0.001127 LBFGSLineSearch: 149 18:02:57 -176.757250 0.000530 LBFGSLineSearch: 150 18:02:59 -176.757250 0.000364 LBFGSLineSearch: 151 18:03:01 -176.757250 0.000182 LBFGSLineSearch: 152 18:03:04 -176.757250 0.000069 LBFGSLineSearch: 153 18:03:06 -176.757250 0.000039 LBFGSLineSearch: 154 18:03:08 -176.757250 0.000021 LBFGSLineSearch: 155 18:03:09 -176.757250 0.000013 LBFGSLineSearch: 156 18:03:11 -176.757250 0.000005