element(s): ['Al', 'Cr'] AFLOW prototype label: A8B5_hR26_160_a3bc_a3b Parameter names: ['a', 'c/a', 'x1', 'x2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'z7', 'x8', 'z8', 'x9', 'y9', 'z9'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['13.503802', '0.59792039', '0.29861528', '0.88345696', '0.36135358', '0.020975612', '0.66071047', '0.45047231', '0.29266451', '0.63787353', '0.0088368207', '0.27992147', '0.012140134', '0.63778166', '0.63007213', '0.9898081', '0.92450439', '0.30363104', '0.66563447'] model name: EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Cr', 'Cr', 'Cr', 'Cr'] representative atom coordinates = [[0. 0. 0.29861528] [0.78012599 0.21987401 0.58122759] [0.73674605 0.26325395 0.92396442] [0.88493033 0.11506967 0.40773418] [0.67237441 0.70675224 0.63125663] [0. 0. 0.88345696] [0.90963845 0.09036155 0.09919837] [0.79145282 0.20854718 0.22068731] [0.88008801 0.11991199 0.74998412]] spacegroup = 160 cell = [[13.5038, 0, 0], [-6.7519, 11.694633847624, 0], [0, 0, 8.0742]] ========================================= Step Time Energy fmax BFGS: 0 17:06:19 -271.953481 1.0872 BFGS: 1 17:06:20 -272.575004 0.9764 BFGS: 2 17:06:20 -274.110817 1.0241 BFGS: 3 17:06:20 -274.893926 1.0385 BFGS: 4 17:06:20 -275.290501 1.0310 BFGS: 5 17:06:20 -275.579663 1.0141 BFGS: 6 17:06:21 -275.859283 0.9943 BFGS: 7 17:06:21 -276.142230 0.9742 BFGS: 8 17:06:21 -276.423746 0.9546 BFGS: 9 17:06:21 -276.698272 0.9348 BFGS: 10 17:06:21 -276.961640 0.9145 BFGS: 11 17:06:22 -277.212989 0.8939 BFGS: 12 17:06:22 -277.457575 0.8740 BFGS: 13 17:06:22 -277.695849 0.8551 BFGS: 14 17:06:22 -277.926071 0.8371 BFGS: 15 17:06:23 -278.146881 0.8199 BFGS: 16 17:06:23 -278.358453 0.8035 BFGS: 17 17:06:23 -278.561412 0.7874 BFGS: 18 17:06:23 -278.757246 0.7715 BFGS: 19 17:06:23 -278.947006 0.7560 BFGS: 20 17:06:24 -279.131326 0.7408 BFGS: 21 17:06:24 -279.310733 0.7262 BFGS: 22 17:06:24 -279.485768 0.7120 BFGS: 23 17:06:24 -279.656950 0.6982 BFGS: 24 17:06:25 -279.824755 0.6848 BFGS: 25 17:06:25 -279.989824 0.6719 BFGS: 26 17:06:25 -280.152286 0.6594 BFGS: 27 17:06:25 -280.312457 0.6472 BFGS: 28 17:06:25 -280.470827 0.6350 BFGS: 29 17:06:25 -280.627875 0.6228 BFGS: 30 17:06:25 -280.783973 0.6099 BFGS: 31 17:06:26 -280.939994 0.5964 BFGS: 32 17:06:26 -281.096528 0.5825 BFGS: 33 17:06:27 -281.253853 0.5682 BFGS: 34 17:06:27 -281.412135 0.5534 BFGS: 35 17:06:27 -281.571339 0.5423 BFGS: 36 17:06:27 -281.731612 0.5541 BFGS: 37 17:06:27 -281.893022 0.5643 BFGS: 38 17:06:28 -282.055446 0.5730 BFGS: 39 17:06:28 -282.218904 0.5802 BFGS: 40 17:06:28 -282.383323 0.5859 BFGS: 41 17:06:28 -282.548369 0.5899 BFGS: 42 17:06:28 -282.713944 0.5925 BFGS: 43 17:06:28 -282.880040 0.5936 BFGS: 44 17:06:28 -283.046577 0.5930 BFGS: 45 17:06:29 -283.213654 0.5906 BFGS: 46 17:06:29 -283.381081 0.5863 BFGS: 47 17:06:29 -283.548654 0.5793 BFGS: 48 17:06:29 -283.715724 0.5692 BFGS: 49 17:06:30 -283.881539 0.5584 BFGS: 50 17:06:30 -284.045275 0.5457 BFGS: 51 17:06:30 -284.206061 0.5274 BFGS: 52 17:06:30 -284.362915 0.5151 BFGS: 53 17:06:31 -284.514527 0.5285 BFGS: 54 17:06:31 -284.659895 0.5370 BFGS: 55 17:06:31 -284.797451 0.5399 BFGS: 56 17:06:31 -284.927050 0.5353 BFGS: 57 17:06:31 -285.048437 0.5195 BFGS: 58 17:06:32 -285.162014 0.4858 BFGS: 59 17:06:32 -285.271216 0.4200 BFGS: 60 17:06:32 -285.371885 0.3726 BFGS: 61 17:06:32 -285.463019 0.3455 BFGS: 62 17:06:32 -285.557972 0.2712 BFGS: 63 17:06:33 -285.602067 0.2490 BFGS: 64 17:06:33 -285.629671 0.2428 BFGS: 65 17:06:33 -285.645997 0.2518 BFGS: 66 17:06:33 -285.658171 0.2681 BFGS: 67 17:06:33 -285.666855 0.2803 BFGS: 68 17:06:34 -285.675452 0.2850 BFGS: 69 17:06:34 -285.684299 0.2794 BFGS: 70 17:06:34 -285.691829 0.2664 BFGS: 71 17:06:34 -285.699387 0.2515 BFGS: 72 17:06:34 -285.708034 0.2392 BFGS: 73 17:06:35 -285.717698 0.2301 BFGS: 74 17:06:35 -285.728025 0.2236 BFGS: 75 17:06:35 -285.738597 0.2186 BFGS: 76 17:06:36 -285.749088 0.2146 BFGS: 77 17:06:36 -285.759296 0.2109 BFGS: 78 17:06:36 -285.769137 0.2073 BFGS: 79 17:06:36 -285.778610 0.2036 BFGS: 80 17:06:36 -285.787763 0.1996 BFGS: 81 17:06:36 -285.796657 0.1952 BFGS: 82 17:06:36 -285.805355 0.1906 BFGS: 83 17:06:36 -285.813909 0.1856 BFGS: 84 17:06:37 -285.822362 0.1803 BFGS: 85 17:06:37 -285.830745 0.1748 BFGS: 86 17:06:37 -285.839079 0.1690 BFGS: 87 17:06:37 -285.847378 0.1629 BFGS: 88 17:06:37 -285.855648 0.1566 BFGS: 89 17:06:37 -285.863892 0.1501 BFGS: 90 17:06:37 -285.872106 0.1435 BFGS: 91 17:06:37 -285.880284 0.1366 BFGS: 92 17:06:37 -285.888415 0.1296 BFGS: 93 17:06:37 -285.896488 0.1292 BFGS: 94 17:06:37 -285.904490 0.1303 BFGS: 95 17:06:38 -285.912404 0.1312 BFGS: 96 17:06:38 -285.920213 0.1321 BFGS: 97 17:06:38 -285.927898 0.1328 BFGS: 98 17:06:38 -285.935440 0.1334 BFGS: 99 17:06:38 -285.942817 0.1339 BFGS: 100 17:06:38 -285.950010 0.1343 BFGS: 101 17:06:38 -285.956996 0.1346 BFGS: 102 17:06:38 -285.963751 0.1347 BFGS: 103 17:06:39 -285.970253 0.1346 BFGS: 104 17:06:39 -285.976478 0.1344 BFGS: 105 17:06:39 -285.982402 0.1340 BFGS: 106 17:06:39 -285.988003 0.1333 BFGS: 107 17:06:39 -285.993264 0.1325 BFGS: 108 17:06:39 -285.998167 0.1314 BFGS: 109 17:06:40 -286.002702 0.1300 BFGS: 110 17:06:40 -286.006864 0.1282 BFGS: 111 17:06:40 -286.010663 0.1260 BFGS: 112 17:06:40 -286.014127 0.1233 BFGS: 113 17:06:40 -286.017329 0.1197 BFGS: 114 17:06:40 -286.020431 0.1150 BFGS: 115 17:06:40 -286.023830 0.1081 BFGS: 116 17:06:40 -286.028465 0.0966 BFGS: 117 17:06:40 -286.034681 0.0824 BFGS: 118 17:06:40 -286.043898 0.0716 BFGS: 119 17:06:40 -286.050243 0.0742 BFGS: 120 17:06:40 -286.055714 0.0719 BFGS: 121 17:06:41 -286.061131 0.0820 BFGS: 122 17:06:41 -286.067049 0.0881 BFGS: 123 17:06:41 -286.070881 0.0804 BFGS: 124 17:06:41 -286.074594 0.0637 BFGS: 125 17:06:41 -286.076920 0.0495 BFGS: 126 17:06:41 -286.078665 0.0361 BFGS: 127 17:06:41 -286.079927 0.0229 BFGS: 128 17:06:41 -286.080713 0.0203 BFGS: 129 17:06:41 -286.081014 0.0173 BFGS: 130 17:06:41 -286.081178 0.0144 BFGS: 131 17:06:41 -286.081499 0.0082 BFGS: 132 17:06:41 -286.081615 0.0067 BFGS: 133 17:06:42 -286.081648 0.0050 BFGS: 134 17:06:42 -286.081657 0.0035 BFGS: 135 17:06:42 -286.081667 0.0015 BFGS: 136 17:06:42 -286.081674 0.0013 BFGS: 137 17:06:42 -286.081677 0.0014 BFGS: 138 17:06:42 -286.081679 0.0012 BFGS: 139 17:06:42 -286.081680 0.0009 BFGS: 140 17:06:42 -286.081680 0.0005 BFGS: 141 17:06:42 -286.081681 0.0004 BFGS: 142 17:06:42 -286.081681 0.0003 BFGS: 143 17:06:42 -286.081681 0.0002 BFGS: 144 17:06:42 -286.081681 0.0001 BFGS: 145 17:06:43 -286.081681 0.0001 BFGS: 146 17:06:43 -286.081681 0.0001 BFGS: 147 17:06:43 -286.081681 0.0001 BFGS: 148 17:06:43 -286.081681 0.0000 BFGS: 149 17:06:43 -286.081681 0.0000 BFGS: 150 17:06:43 -286.081681 0.0000 BFGS: 151 17:06:43 -286.081681 0.0000 BFGS: 152 17:06:43 -286.081681 0.0000 BFGS: 153 17:06:43 -286.081681 0.0000 BFGS: 154 17:06:43 -286.081681 0.0000 BFGS: 155 17:06:44 -286.081681 0.0000 BFGS: 156 17:06:44 -286.081681 0.0000 BFGS: 157 17:06:44 -286.081681 0.0000 BFGS: 158 17:06:44 -286.081681 0.0000 BFGS: 159 17:06:44 -286.081681 0.0000 BFGS: 160 17:06:44 -286.081681 0.0000 BFGS: 161 17:06:44 -286.081681 0.0000 BFGS: 162 17:06:44 -286.081681 0.0000 BFGS: 163 17:06:44 -286.081681 0.0000 BFGS: 164 17:06:45 -286.081681 0.0000 BFGS: 165 17:06:45 -286.081681 0.0000 BFGS: 166 17:06:45 -286.081681 0.0000 BFGS: 167 17:06:45 -286.081681 0.0000 BFGS: 168 17:06:45 -286.081681 0.0000 BFGS: 169 17:06:45 -286.081681 0.0000 BFGS: 170 17:06:45 -286.081681 0.0000 BFGS: 171 17:06:46 -286.081681 0.0000 BFGS: 172 17:06:46 -286.081681 0.0000 BFGS: 173 17:06:46 -286.081681 0.0000 BFGS: 174 17:06:46 -286.081681 0.0000 BFGS: 175 17:06:46 -286.081681 0.0000 BFGS: 176 17:06:46 -286.081681 0.0000 BFGS: 177 17:06:46 -286.081681 0.0000 BFGS: 178 17:06:46 -286.081681 0.0000 BFGS: 179 17:06:47 -286.081681 0.0000 BFGS: 180 17:06:47 -286.081681 0.0000 BFGS: 181 17:06:47 -286.081681 0.0000 BFGS: 182 17:06:47 -286.081681 0.0000 BFGS: 183 17:06:47 -286.081681 0.0000 BFGS: 184 17:06:47 -286.081681 0.0000 BFGS: 185 17:06:47 -286.081681 0.0000 BFGS: 186 17:06:48 -286.081681 0.0000 BFGS: 187 17:06:48 -286.081681 0.0000 BFGS: 188 17:06:48 -286.081681 0.0000 BFGS: 189 17:06:48 -286.081681 0.0000 BFGS: 190 17:06:48 -286.081681 0.0000 BFGS: 191 17:06:49 -286.081681 0.0000 BFGS: 192 17:06:49 -286.081681 0.0000 BFGS: 193 17:06:49 -286.081681 0.0000 BFGS: 194 17:06:49 -286.081681 0.0000 BFGS: 195 17:06:50 -286.081681 0.0000 BFGS: 196 17:06:50 -286.081681 0.0000 BFGS: 197 17:06:51 -286.081681 0.0000 BFGS: 198 17:06:51 -286.081681 0.0000 BFGS: 199 17:06:51 -286.081681 0.0000 BFGS: 200 17:06:52 -286.081681 0.0000 BFGS: 201 17:06:52 -286.081681 0.0000 BFGS: 202 17:06:52 -286.081681 0.0000 BFGS: 203 17:06:53 -286.081681 0.0000 BFGS: 204 17:06:53 -286.081681 0.0000 BFGS: 205 17:06:53 -286.081681 0.0000 BFGS: 206 17:06:54 -286.081681 0.0000 BFGS: 207 17:06:54 -286.081681 0.0000 BFGS: 208 17:06:54 -286.081681 0.0000 BFGS: 209 17:06:54 -286.081681 0.0000 BFGS: 210 17:06:55 -286.081681 0.0000 BFGS: 211 17:06:55 -286.081681 0.0000 BFGS: 212 17:06:55 -286.081681 0.0000 BFGS: 213 17:06:56 -286.081681 0.0000 Minimization converged after 213 steps. Maximum force component: 9.80288018328433e-09 eV/Angstrom Maximum stress component: 1.9955162762463918e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr'] basis = [[9.30989185e-32 7.09650145e-32 3.15710182e-01] [6.66666667e-01 3.33333333e-01 6.49043515e-01] [3.33333333e-01 6.66666667e-01 9.82376848e-01] [7.88475268e-01 2.11524732e-01 5.63289193e-01] [7.88475268e-01 5.76950536e-01 5.63289193e-01] [4.23049464e-01 2.11524732e-01 5.63289193e-01] [4.55141935e-01 5.44858065e-01 8.96622526e-01] [4.55141935e-01 9.10283869e-01 8.96622526e-01] [8.97161306e-02 5.44858065e-01 8.96622526e-01] [1.21808601e-01 8.78191399e-01 2.29955860e-01] [1.21808601e-01 2.43617203e-01 2.29955860e-01] [7.56382797e-01 8.78191399e-01 2.29955860e-01] [7.42703085e-01 2.57296915e-01 9.09241409e-01] [7.42703085e-01 4.85406170e-01 9.09241409e-01] [5.14593830e-01 2.57296915e-01 9.09241409e-01] [4.09369752e-01 5.90630248e-01 2.42574742e-01] [4.09369752e-01 8.18739503e-01 2.42574742e-01] [1.81260497e-01 5.90630248e-01 2.42574742e-01] [7.60364183e-02 9.23963582e-01 5.75908075e-01] [7.60364183e-02 1.52072837e-01 5.75908075e-01] [8.47927163e-01 9.23963582e-01 5.75908075e-01] [8.79257541e-01 1.20742459e-01 3.40570680e-01] [8.79257541e-01 7.58515082e-01 3.40570680e-01] [2.41484918e-01 1.20742459e-01 3.40570680e-01] [5.45924208e-01 4.54075792e-01 6.73904014e-01] [5.45924208e-01 9.18484155e-02 6.73904014e-01] [9.08151585e-01 4.54075792e-01 6.73904014e-01] [2.12590874e-01 7.87409126e-01 7.23734701e-03] [2.12590874e-01 4.25181749e-01 7.23734701e-03] [5.74818251e-01 7.87409126e-01 7.23734701e-03] [6.56795722e-01 7.11434757e-01 6.96521362e-01] [2.88565243e-01 9.45360965e-01 6.96521362e-01] [5.46390352e-02 3.43204278e-01 6.96521362e-01] [2.88565243e-01 3.43204278e-01 6.96521362e-01] [5.46390352e-02 7.11434757e-01 6.96521362e-01] [6.56795722e-01 9.45360965e-01 6.96521362e-01] [3.23462389e-01 4.47680906e-02 2.98546952e-02] [9.55231909e-01 2.78694298e-01 2.98546952e-02] [7.21305702e-01 6.76537611e-01 2.98546952e-02] [9.55231909e-01 6.76537611e-01 2.98546952e-02] [7.21305702e-01 4.47680906e-02 2.98546952e-02] [3.23462389e-01 2.78694298e-01 2.98546952e-02] [9.90129055e-01 3.78101424e-01 3.63188029e-01] [6.21898576e-01 6.12027631e-01 3.63188029e-01] [3.87972369e-01 9.87094463e-03 3.63188029e-01] [6.21898576e-01 9.87094463e-03 3.63188029e-01] [3.87972369e-01 3.78101424e-01 3.63188029e-01] [9.90129055e-01 6.12027631e-01 3.63188029e-01] [1.00000000e+00 1.00000000e+00 8.14774341e-01] [6.66666667e-01 3.33333333e-01 1.48107674e-01] [3.33333333e-01 6.66666667e-01 4.81441007e-01] [9.33935780e-01 6.60642204e-02 5.85405174e-02] [9.33935780e-01 8.67871559e-01 5.85405174e-02] [1.32128441e-01 6.60642204e-02 5.85405174e-02] [6.00602446e-01 3.99397554e-01 3.91873851e-01] [6.00602446e-01 2.01204893e-01 3.91873851e-01] [7.98795107e-01 3.99397554e-01 3.91873851e-01] [2.67269113e-01 7.32730887e-01 7.25207184e-01] [2.67269113e-01 5.34538226e-01 7.25207184e-01] [4.65461774e-01 7.32730887e-01 7.25207184e-01] [7.73350095e-01 2.26649905e-01 2.24181482e-01] [7.73350095e-01 5.46700190e-01 2.24181482e-01] [4.53299810e-01 2.26649905e-01 2.24181482e-01] [4.40016761e-01 5.59983239e-01 5.57514815e-01] [4.40016761e-01 8.80033523e-01 5.57514815e-01] [1.19966477e-01 5.59983239e-01 5.57514815e-01] [1.06683428e-01 8.93316572e-01 8.90848148e-01] [1.06683428e-01 2.13366856e-01 8.90848148e-01] [7.86633144e-01 8.93316572e-01 8.90848148e-01] [8.84835378e-01 1.15164622e-01 7.73639151e-01] [8.84835378e-01 7.69670756e-01 7.73639151e-01] [2.30329244e-01 1.15164622e-01 7.73639151e-01] [5.51502045e-01 4.48497955e-01 1.06972484e-01] [5.51502045e-01 1.03004090e-01 1.06972484e-01] [8.96995910e-01 4.48497955e-01 1.06972484e-01] [2.18168711e-01 7.81831289e-01 4.40305818e-01] [2.18168711e-01 4.36337423e-01 4.40305818e-01] [5.63662577e-01 7.81831289e-01 4.40305818e-01]] cellpar = Cell([[12.835875794998248, -4.4917486339146676e-17, 7.557248661771635e-17], [-6.417937897499125, 11.116194518290188, 4.935417641064496e-17], [8.88712620916264e-16, 1.1658242171843652e-15, 8.082198978331343]]) forces = [[-3.48419970e-25 -4.57070456e-25 -3.16866874e-09] [-3.48419970e-25 -4.57070456e-25 -3.16866874e-09] [-3.48419970e-25 -4.57069482e-25 -3.16866874e-09] [ 1.54848553e-09 -8.94018537e-10 5.10996654e-09] [ 4.61691852e-25 1.78803707e-09 5.10996654e-09] [-1.54848553e-09 -8.94018537e-10 5.10996654e-09] [ 1.54848553e-09 -8.94018537e-10 5.10996654e-09] [ 4.61691852e-25 1.78803707e-09 5.10996654e-09] [-1.54848553e-09 -8.94018537e-10 5.10996654e-09] [ 1.54848553e-09 -8.94018537e-10 5.10996654e-09] [ 7.93491465e-25 1.78803707e-09 5.10996654e-09] [-1.54848553e-09 -8.94018537e-10 5.10996654e-09] [ 1.54382311e-09 -8.91326686e-10 -2.53729062e-09] [-6.39132310e-25 1.78265337e-09 -2.53729062e-09] [-1.54382311e-09 -8.91326686e-10 -2.53729062e-09] [ 1.54382311e-09 -8.91326686e-10 -2.53729062e-09] [-2.25542003e-25 1.78265337e-09 -2.53729062e-09] [-1.54382311e-09 -8.91326686e-10 -2.53729062e-09] [ 1.54382311e-09 -8.91326686e-10 -2.53729062e-09] [-5.96421972e-26 1.78265337e-09 -2.53729062e-09] [-1.54382311e-09 -8.91326686e-10 -2.53729062e-09] [ 2.28186027e-10 -1.31743264e-10 -1.37661611e-09] [-1.53407595e-25 2.63486528e-10 -1.37661611e-09] [-2.28186027e-10 -1.31743264e-10 -1.37661611e-09] [ 2.28186027e-10 -1.31743264e-10 -1.37661611e-09] [-1.53407595e-25 2.63486528e-10 -1.37661611e-09] [-2.28186027e-10 -1.31743264e-10 -1.37661611e-09] [ 2.28186027e-10 -1.31743264e-10 -1.37661611e-09] [-1.58519514e-25 2.63486528e-10 -1.37661611e-09] [-2.28186027e-10 -1.31743264e-10 -1.37661611e-09] [ 5.53142767e-09 -3.08946169e-09 2.46394933e-09] [-9.01615244e-11 6.33508772e-09 2.46394933e-09] [-5.44126614e-09 -3.24562603e-09 2.46394933e-09] [ 5.44126614e-09 -3.24562603e-09 2.46394933e-09] [-5.53142767e-09 -3.08946169e-09 2.46394933e-09] [ 9.01615244e-11 6.33508772e-09 2.46394933e-09] [ 5.53142767e-09 -3.08946169e-09 2.46394933e-09] [-9.01615244e-11 6.33508772e-09 2.46394933e-09] [-5.44126614e-09 -3.24562603e-09 2.46394933e-09] [ 5.44126614e-09 -3.24562603e-09 2.46394933e-09] [-5.53142767e-09 -3.08946169e-09 2.46394933e-09] [ 9.01615244e-11 6.33508772e-09 2.46394933e-09] [ 5.53142767e-09 -3.08946169e-09 2.46394933e-09] [-9.01615244e-11 6.33508772e-09 2.46394933e-09] [-5.44126614e-09 -3.24562603e-09 2.46394933e-09] [ 5.44126614e-09 -3.24562603e-09 2.46394933e-09] [-5.53142767e-09 -3.08946169e-09 2.46394933e-09] [ 9.01615244e-11 6.33508772e-09 2.46394933e-09] [ 5.29131719e-26 6.94121539e-26 4.81207056e-10] [ 5.29131719e-26 6.94121539e-26 4.81207056e-10] [ 5.29131719e-26 6.94121539e-26 4.81207056e-10] [-1.77598169e-09 1.02536351e-09 -2.53431074e-09] [-2.26989517e-26 -2.05072701e-09 -2.53431074e-09] [ 1.77598169e-09 1.02536351e-09 -2.53431074e-09] [-1.77598169e-09 1.02536351e-09 -2.53431074e-09] [ 3.09100661e-25 -2.05072701e-09 -2.53431074e-09] [ 1.77598169e-09 1.02536351e-09 -2.53431074e-09] [-1.77598169e-09 1.02536351e-09 -2.53431074e-09] [-2.29494105e-25 -2.05072701e-09 -2.53431074e-09] [ 1.77598169e-09 1.02536351e-09 -2.53431074e-09] [ 1.40876986e-09 -8.13353660e-10 4.86294479e-10] [ 1.48558484e-25 1.62670732e-09 4.86294479e-10] [-1.40876986e-09 -8.13353660e-10 4.86294479e-10] [ 1.40876986e-09 -8.13353660e-10 4.86294479e-10] [ 2.73562943e-25 1.62670732e-09 4.86294479e-10] [-1.40876986e-09 -8.13353660e-10 4.86294479e-10] [ 1.40876986e-09 -8.13353660e-10 4.86294479e-10] [-5.82366692e-26 1.62670732e-09 4.86294479e-10] [-1.40876986e-09 -8.13353660e-10 4.86294479e-10] [ 8.48954327e-09 -4.90144009e-09 -3.18012162e-09] [-9.11522444e-26 9.80288018e-09 -3.18012162e-09] [-8.48954327e-09 -4.90144009e-09 -3.18012162e-09] [ 8.48954327e-09 -4.90144009e-09 -3.18012162e-09] [-1.41835069e-24 9.80288018e-09 -3.18012162e-09] [-8.48954327e-09 -4.90144009e-09 -3.18012162e-09] [ 8.48954327e-09 -4.90144009e-09 -3.18012162e-09] [-9.11522444e-26 9.80288018e-09 -3.18012162e-09] [-8.48954327e-09 -4.90144009e-09 -3.18012162e-09]] stress = [-1.99551628e-11 -1.99551628e-11 1.71365989e-11 5.58163228e-27 3.07630595e-27 5.14219144e-27] energy per atom = -3.667713859579085 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0