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 12:35:10 -271.953481 1.087241 BFGS: 1 12:35:11 -272.575004 0.976354 BFGS: 2 12:35:11 -274.110817 1.024118 BFGS: 3 12:35:11 -274.893926 1.038467 BFGS: 4 12:35:12 -275.290501 1.031034 BFGS: 5 12:35:12 -275.579663 1.014083 BFGS: 6 12:35:12 -275.859283 0.994348 BFGS: 7 12:35:13 -276.142230 0.974185 BFGS: 8 12:35:13 -276.423746 0.954559 BFGS: 9 12:35:13 -276.698272 0.934787 BFGS: 10 12:35:14 -276.961640 0.914478 BFGS: 11 12:35:14 -277.212989 0.893860 BFGS: 12 12:35:14 -277.457575 0.874000 BFGS: 13 12:35:15 -277.695849 0.855123 BFGS: 14 12:35:15 -277.926071 0.837107 BFGS: 15 12:35:15 -278.146881 0.819893 BFGS: 16 12:35:16 -278.358453 0.803500 BFGS: 17 12:35:16 -278.561412 0.787410 BFGS: 18 12:35:16 -278.757246 0.771503 BFGS: 19 12:35:17 -278.947006 0.755956 BFGS: 20 12:35:17 -279.131326 0.740841 BFGS: 21 12:35:17 -279.310733 0.726179 BFGS: 22 12:35:17 -279.485768 0.711981 BFGS: 23 12:35:18 -279.656950 0.698212 BFGS: 24 12:35:18 -279.824755 0.684773 BFGS: 25 12:35:18 -279.989824 0.671895 BFGS: 26 12:35:19 -280.152286 0.659427 BFGS: 27 12:35:19 -280.312457 0.647181 BFGS: 28 12:35:19 -280.470827 0.635043 BFGS: 29 12:35:20 -280.627875 0.622792 BFGS: 30 12:35:20 -280.783973 0.609922 BFGS: 31 12:35:20 -280.939994 0.596426 BFGS: 32 12:35:21 -281.096528 0.582488 BFGS: 33 12:35:21 -281.253853 0.568195 BFGS: 34 12:35:21 -281.412135 0.553370 BFGS: 35 12:35:22 -281.571339 0.542318 BFGS: 36 12:35:22 -281.731612 0.554146 BFGS: 37 12:35:22 -281.893022 0.564326 BFGS: 38 12:35:23 -282.055446 0.572975 BFGS: 39 12:35:23 -282.218904 0.580178 BFGS: 40 12:35:24 -282.383323 0.585883 BFGS: 41 12:35:24 -282.548369 0.589939 BFGS: 42 12:35:24 -282.713944 0.592509 BFGS: 43 12:35:25 -282.880040 0.593613 BFGS: 44 12:35:25 -283.046577 0.593043 BFGS: 45 12:35:25 -283.213654 0.590644 BFGS: 46 12:35:26 -283.381081 0.586294 BFGS: 47 12:35:26 -283.548654 0.579251 BFGS: 48 12:35:26 -283.715724 0.569225 BFGS: 49 12:35:27 -283.881539 0.558400 BFGS: 50 12:35:27 -284.045275 0.545699 BFGS: 51 12:35:27 -284.206061 0.527382 BFGS: 52 12:35:27 -284.362915 0.515087 BFGS: 53 12:35:28 -284.514527 0.528497 BFGS: 54 12:35:28 -284.659895 0.537050 BFGS: 55 12:35:28 -284.797451 0.539867 BFGS: 56 12:35:29 -284.927050 0.535292 BFGS: 57 12:35:29 -285.048437 0.519514 BFGS: 58 12:35:30 -285.162014 0.485817 BFGS: 59 12:35:30 -285.271216 0.420044 BFGS: 60 12:35:30 -285.371885 0.372596 BFGS: 61 12:35:30 -285.463019 0.345507 BFGS: 62 12:35:31 -285.557972 0.271223 BFGS: 63 12:35:31 -285.602067 0.248989 BFGS: 64 12:35:31 -285.629671 0.242817 BFGS: 65 12:35:32 -285.645997 0.251787 BFGS: 66 12:35:32 -285.658171 0.268083 BFGS: 67 12:35:32 -285.666855 0.280340 BFGS: 68 12:35:33 -285.675452 0.285012 BFGS: 69 12:35:33 -285.684299 0.279406 BFGS: 70 12:35:34 -285.691829 0.266429 BFGS: 71 12:35:34 -285.699387 0.251539 BFGS: 72 12:35:34 -285.708034 0.239156 BFGS: 73 12:35:35 -285.717698 0.230138 BFGS: 74 12:35:35 -285.728025 0.223586 BFGS: 75 12:35:35 -285.738597 0.218627 BFGS: 76 12:35:35 -285.749088 0.214570 BFGS: 77 12:35:36 -285.759296 0.210915 BFGS: 78 12:35:36 -285.769137 0.207318 BFGS: 79 12:35:36 -285.778610 0.203569 BFGS: 80 12:35:37 -285.787763 0.199559 BFGS: 81 12:35:37 -285.796657 0.195235 BFGS: 82 12:35:37 -285.805355 0.190583 BFGS: 83 12:35:38 -285.813909 0.185614 BFGS: 84 12:35:38 -285.822362 0.180339 BFGS: 85 12:35:38 -285.830745 0.174783 BFGS: 86 12:35:39 -285.839079 0.168965 BFGS: 87 12:35:39 -285.847378 0.162906 BFGS: 88 12:35:39 -285.855648 0.156624 BFGS: 89 12:35:40 -285.863892 0.150138 BFGS: 90 12:35:40 -285.872106 0.143459 BFGS: 91 12:35:40 -285.880284 0.136601 BFGS: 92 12:35:40 -285.888415 0.129573 BFGS: 93 12:35:41 -285.896488 0.129237 BFGS: 94 12:35:41 -285.904490 0.130270 BFGS: 95 12:35:41 -285.912404 0.131211 BFGS: 96 12:35:42 -285.920213 0.132055 BFGS: 97 12:35:42 -285.927898 0.132795 BFGS: 98 12:35:42 -285.935440 0.133423 BFGS: 99 12:35:43 -285.942817 0.133934 BFGS: 100 12:35:43 -285.950010 0.134320 BFGS: 101 12:35:43 -285.956996 0.134569 BFGS: 102 12:35:44 -285.963751 0.134669 BFGS: 103 12:35:44 -285.970253 0.134611 BFGS: 104 12:35:44 -285.976478 0.134381 BFGS: 105 12:35:45 -285.982402 0.133966 BFGS: 106 12:35:45 -285.988003 0.133347 BFGS: 107 12:35:45 -285.993264 0.132502 BFGS: 108 12:35:46 -285.998167 0.131398 BFGS: 109 12:35:46 -286.002702 0.129994 BFGS: 110 12:35:46 -286.006864 0.128236 BFGS: 111 12:35:47 -286.010663 0.126037 BFGS: 112 12:35:47 -286.014127 0.123275 BFGS: 113 12:35:47 -286.017329 0.119736 BFGS: 114 12:35:48 -286.020431 0.115002 BFGS: 115 12:35:48 -286.023830 0.108090 BFGS: 116 12:35:48 -286.028465 0.096604 BFGS: 117 12:35:49 -286.034681 0.082424 BFGS: 118 12:35:49 -286.043898 0.071617 BFGS: 119 12:35:49 -286.050243 0.074235 BFGS: 120 12:35:50 -286.055714 0.071922 BFGS: 121 12:35:50 -286.061131 0.082037 BFGS: 122 12:35:50 -286.067049 0.088081 BFGS: 123 12:35:51 -286.070881 0.080425 BFGS: 124 12:35:51 -286.074594 0.063664 BFGS: 125 12:35:51 -286.076920 0.049479 BFGS: 126 12:35:52 -286.078665 0.036124 BFGS: 127 12:35:52 -286.079927 0.022898 BFGS: 128 12:35:52 -286.080713 0.020256 BFGS: 129 12:35:53 -286.081014 0.017279 BFGS: 130 12:35:53 -286.081178 0.014358 BFGS: 131 12:35:53 -286.081499 0.008155 BFGS: 132 12:35:54 -286.081615 0.006743 BFGS: 133 12:35:54 -286.081648 0.005016 BFGS: 134 12:35:54 -286.081657 0.003487 BFGS: 135 12:35:54 -286.081667 0.001488 BFGS: 136 12:35:55 -286.081674 0.001256 BFGS: 137 12:35:55 -286.081677 0.001396 BFGS: 138 12:35:55 -286.081679 0.001248 BFGS: 139 12:35:56 -286.081680 0.000896 BFGS: 140 12:35:56 -286.081680 0.000512 BFGS: 141 12:35:56 -286.081681 0.000443 BFGS: 142 12:35:57 -286.081681 0.000302 BFGS: 143 12:35:57 -286.081681 0.000170 BFGS: 144 12:35:57 -286.081681 0.000082 BFGS: 145 12:35:57 -286.081681 0.000086 BFGS: 146 12:35:58 -286.081681 0.000113 BFGS: 147 12:35:58 -286.081681 0.000089 BFGS: 148 12:35:58 -286.081681 0.000047 BFGS: 149 12:35:59 -286.081681 0.000033 BFGS: 150 12:35:59 -286.081681 0.000024 BFGS: 151 12:35:59 -286.081681 0.000022 BFGS: 152 12:35:59 -286.081681 0.000016 BFGS: 153 12:36:00 -286.081681 0.000008 BFGS: 154 12:36:00 -286.081681 0.000004 BFGS: 155 12:36:00 -286.081681 0.000005 BFGS: 156 12:36:01 -286.081681 0.000004 BFGS: 157 12:36:01 -286.081681 0.000003 BFGS: 158 12:36:02 -286.081681 0.000001 BFGS: 159 12:36:02 -286.081681 0.000001 BFGS: 160 12:36:02 -286.081681 0.000001 BFGS: 161 12:36:03 -286.081681 0.000000 BFGS: 162 12:36:03 -286.081681 0.000000 BFGS: 163 12:36:03 -286.081681 0.000000 BFGS: 164 12:36:04 -286.081681 0.000000 BFGS: 165 12:36:04 -286.081681 0.000000 BFGS: 166 12:36:04 -286.081681 0.000000 BFGS: 167 12:36:05 -286.081681 0.000000 BFGS: 168 12:36:05 -286.081681 0.000000 BFGS: 169 12:36:05 -286.081681 0.000000 BFGS: 170 12:36:06 -286.081681 0.000000 BFGS: 171 12:36:06 -286.081681 0.000000 BFGS: 172 12:36:06 -286.081681 0.000000 BFGS: 173 12:36:06 -286.081681 0.000000 BFGS: 174 12:36:06 -286.081681 0.000000 BFGS: 175 12:36:07 -286.081681 0.000000 BFGS: 176 12:36:07 -286.081681 0.000000 BFGS: 177 12:36:07 -286.081681 0.000000 BFGS: 178 12:36:07 -286.081681 0.000000 BFGS: 179 12:36:07 -286.081681 0.000000 BFGS: 180 12:36:07 -286.081681 0.000000 BFGS: 181 12:36:08 -286.081681 0.000000 BFGS: 182 12:36:08 -286.081681 0.000000 BFGS: 183 12:36:08 -286.081681 0.000000 BFGS: 184 12:36:08 -286.081681 0.000000 BFGS: 185 12:36:08 -286.081681 0.000000 BFGS: 186 12:36:09 -286.081681 0.000000 BFGS: 187 12:36:09 -286.081681 0.000000 BFGS: 188 12:36:09 -286.081681 0.000000 BFGS: 189 12:36:10 -286.081681 0.000000 BFGS: 190 12:36:10 -286.081681 0.000000 BFGS: 191 12:36:10 -286.081681 0.000000 BFGS: 192 12:36:11 -286.081681 0.000000 BFGS: 193 12:36:11 -286.081681 0.000000 BFGS: 194 12:36:11 -286.081681 0.000000 BFGS: 195 12:36:11 -286.081681 0.000000 BFGS: 196 12:36:12 -286.081681 0.000000 BFGS: 197 12:36:12 -286.081681 0.000000 BFGS: 198 12:36:12 -286.081681 0.000000 BFGS: 199 12:36:13 -286.081681 0.000000 BFGS: 200 12:36:13 -286.081681 0.000000 BFGS: 201 12:36:13 -286.081681 0.000000 BFGS: 202 12:36:13 -286.081681 0.000000 BFGS: 203 12:36:14 -286.081681 0.000000 BFGS: 204 12:36:14 -286.081681 0.000000 BFGS: 205 12:36:14 -286.081681 0.000000 BFGS: 206 12:36:15 -286.081681 0.000000 BFGS: 207 12:36:15 -286.081681 0.000000 BFGS: 208 12:36:15 -286.081681 0.000000 BFGS: 209 12:36:15 -286.081681 0.000000 BFGS: 210 12:36:16 -286.081681 0.000000 BFGS: 211 12:36:16 -286.081681 0.000000 BFGS: 212 12:36:16 -286.081681 0.000000 BFGS: 213 12:36:17 -286.081681 0.000000 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