element(s): ['Al', 'Mg'] AFLOW prototype label: A30B23_hR53_148_5f_a2c3f Parameter names: ['a', 'c/a', 'x2', 'x3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['12.771796', '1.7029179', '0.83908265', '0.57721743', '0.26534258', '0.59074834', '0.6492734', '0.33906271', '0.83454273', '0.63999898', '0.56957562', '0.81768135', '0.71718242', '0.74027573', '0.99083998', '0.58455228', '0.12703057', '0.75590653', '0.83076696', '0.58165668', '0.88712245', '0.40531356', '0.44286504', '0.95184048', '0.15192119', '0.3087187', '0.8821025', '0.92997536'] model name: MEAM_LAMMPS_KimKimLee_2009_AlMg__MO_058537087384_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg'] representative atom coordinates = [[0.14748529 0.91103977 0.50178811] [0.03546417 0.76999208 0.60453481] [0.01570262 0.88379845 0.7014798 ] [0.81266295 0.78104935 0.77188933] [0.25953227 0.81532816 0.57123469] [0. 0. 0. ] [0. 0. 0.83908265] [0. 0. 0.57721743] [0.780616 0.73757511 0.62469756] [0.63637895 0.56370176 0.51554224] [0.22304317 0.82482969 0.70693219]] spacegroup = 148 cell = [[12.7718, 0, 0], [-6.3859, 11.060703252054, 0], [0, 0, 21.7493]] ========================================= Step Time Energy fmax BFGS: 0 17:31:09 -413.877210 0.216199 BFGS: 1 17:31:10 -413.916500 0.205337 BFGS: 2 17:31:10 -414.253109 0.075970 BFGS: 3 17:31:12 -414.261829 0.072608 BFGS: 4 17:31:13 -414.273834 0.063340 BFGS: 5 17:31:13 -414.289525 0.063545 BFGS: 6 17:31:14 -414.298432 0.064335 BFGS: 7 17:31:14 -414.302221 0.064903 BFGS: 8 17:31:14 -414.305124 0.065089 BFGS: 9 17:31:15 -414.310670 0.064913 BFGS: 10 17:31:15 -414.318268 0.063952 BFGS: 11 17:31:16 -414.324615 0.062324 BFGS: 12 17:31:18 -414.327247 0.061159 BFGS: 13 17:31:19 -414.328376 0.060598 BFGS: 14 17:31:20 -414.329716 0.059989 BFGS: 15 17:31:21 -414.331906 0.058955 BFGS: 16 17:31:22 -414.334255 0.057697 BFGS: 17 17:31:22 -414.335690 0.056831 BFGS: 18 17:31:22 -414.336379 0.056425 BFGS: 19 17:31:22 -414.337105 0.055920 BFGS: 20 17:31:22 -414.338536 0.054594 BFGS: 21 17:31:23 -414.340878 0.051799 BFGS: 22 17:31:23 -414.343452 0.047901 BFGS: 23 17:31:23 -414.345043 0.045075 BFGS: 24 17:31:23 -414.345855 0.043892 BFGS: 25 17:31:23 -414.346740 0.042908 BFGS: 26 17:31:24 -414.348452 0.040855 BFGS: 27 17:31:24 -414.351136 0.036943 BFGS: 28 17:31:24 -414.353870 0.031972 BFGS: 29 17:31:24 -414.355455 0.028585 BFGS: 30 17:31:25 -414.356226 0.027189 BFGS: 31 17:31:25 -414.357011 0.025958 BFGS: 32 17:31:26 -414.358211 0.023743 BFGS: 33 17:31:26 -414.359524 0.020626 BFGS: 34 17:31:26 -414.360427 0.018027 BFGS: 35 17:31:27 -414.360979 0.016621 BFGS: 36 17:31:27 -414.361631 0.015380 BFGS: 37 17:31:27 -414.362765 0.015970 BFGS: 38 17:31:27 -414.364294 0.018167 BFGS: 39 17:31:29 -414.365517 0.020339 BFGS: 40 17:31:29 -414.366078 0.021366 BFGS: 41 17:31:29 -414.366393 0.021740 BFGS: 42 17:31:30 -414.366863 0.022240 BFGS: 43 17:31:30 -414.367651 0.023281 BFGS: 44 17:31:30 -414.368535 0.024821 BFGS: 45 17:31:30 -414.369048 0.025972 BFGS: 46 17:31:31 -414.369221 0.026302 BFGS: 47 17:31:31 -414.369324 0.026362 BFGS: 48 17:31:32 -414.369495 0.026429 BFGS: 49 17:31:32 -414.369716 0.026565 BFGS: 50 17:31:32 -414.369887 0.026733 BFGS: 51 17:31:32 -414.369958 0.026817 BFGS: 52 17:31:32 -414.369998 0.026820 BFGS: 53 17:31:33 -414.370067 0.026758 BFGS: 54 17:31:33 -414.370209 0.026546 BFGS: 55 17:31:34 -414.370451 0.026063 BFGS: 56 17:31:34 -414.370737 0.025356 BFGS: 57 17:31:34 -414.370961 0.024739 BFGS: 58 17:31:35 -414.371136 0.024323 BFGS: 59 17:31:35 -414.371383 0.023828 BFGS: 60 17:31:35 -414.371871 0.022846 BFGS: 61 17:31:36 -414.372644 0.021197 BFGS: 62 17:31:37 -414.373390 0.019580 BFGS: 63 17:31:38 -414.374080 0.017967 BFGS: 64 17:31:39 -414.374634 0.016321 BFGS: 65 17:31:40 -414.374996 0.015425 BFGS: 66 17:31:41 -414.375411 0.016551 BFGS: 67 17:31:42 -414.376161 0.016886 BFGS: 68 17:31:43 -414.376951 0.015204 BFGS: 69 17:31:44 -414.377711 0.011889 BFGS: 70 17:31:45 -414.378325 0.012427 BFGS: 71 17:31:46 -414.378662 0.010468 BFGS: 72 17:31:47 -414.378925 0.010626 BFGS: 73 17:31:47 -414.379386 0.011442 BFGS: 74 17:31:48 -414.379798 0.009178 BFGS: 75 17:31:49 -414.380055 0.005180 BFGS: 76 17:31:50 -414.380134 0.005102 BFGS: 77 17:31:50 -414.380167 0.004345 BFGS: 78 17:31:51 -414.380208 0.003261 BFGS: 79 17:31:52 -414.380258 0.002243 BFGS: 80 17:31:53 -414.380290 0.001936 BFGS: 81 17:31:54 -414.380299 0.001418 BFGS: 82 17:31:55 -414.380302 0.001285 BFGS: 83 17:31:56 -414.380305 0.001488 BFGS: 84 17:31:56 -414.380310 0.001576 BFGS: 85 17:31:57 -414.380316 0.001246 BFGS: 86 17:31:58 -414.380320 0.000663 BFGS: 87 17:31:58 -414.380321 0.000647 BFGS: 88 17:31:59 -414.380322 0.000610 BFGS: 89 17:32:00 -414.380323 0.000513 BFGS: 90 17:32:01 -414.380324 0.000403 BFGS: 91 17:32:02 -414.380324 0.000274 BFGS: 92 17:32:04 -414.380325 0.000207 BFGS: 93 17:32:05 -414.380325 0.000188 BFGS: 94 17:32:06 -414.380325 0.000163 BFGS: 95 17:32:07 -414.380325 0.000143 BFGS: 96 17:32:07 -414.380325 0.000147 BFGS: 97 17:32:08 -414.380325 0.000113 BFGS: 98 17:32:09 -414.380325 0.000097 BFGS: 99 17:32:10 -414.380325 0.000090 BFGS: 100 17:32:11 -414.380325 0.000069 BFGS: 101 17:32:12 -414.380325 0.000056 BFGS: 102 17:32:13 -414.380325 0.000046 BFGS: 103 17:32:14 -414.380325 0.000054 BFGS: 104 17:32:14 -414.380325 0.000052 BFGS: 105 17:32:15 -414.380325 0.000043 BFGS: 106 17:32:16 -414.380325 0.000028 BFGS: 107 17:32:17 -414.380325 0.000014 BFGS: 108 17:32:18 -414.380325 0.000006 BFGS: 109 17:32:19 -414.380325 0.000004 BFGS: 110 17:32:20 -414.380325 0.000004 BFGS: 111 17:32:22 -414.380325 0.000003 BFGS: 112 17:32:23 -414.380325 0.000003 BFGS: 113 17:32:24 -414.380325 0.000002 BFGS: 114 17:32:25 -414.380325 0.000001 BFGS: 115 17:32:27 -414.380325 0.000001 BFGS: 116 17:32:28 -414.380325 0.000001 BFGS: 117 17:32:28 -414.380325 0.000001 BFGS: 118 17:32:29 -414.380325 0.000001 BFGS: 119 17:32:30 -414.380325 0.000001 BFGS: 120 17:32:31 -414.380325 0.000000 BFGS: 121 17:32:32 -414.380325 0.000000 BFGS: 122 17:32:33 -414.380325 0.000000 BFGS: 123 17:32:35 -414.380325 0.000000 BFGS: 124 17:32:36 -414.380325 0.000000 BFGS: 125 17:32:38 -414.380325 0.000000 BFGS: 126 17:32:39 -414.380325 0.000000 BFGS: 127 17:32:40 -414.380325 0.000000 BFGS: 128 17:32:41 -414.380325 0.000000 BFGS: 129 17:32:42 -414.380325 0.000000 BFGS: 130 17:32:42 -414.380325 0.000000 BFGS: 131 17:32:43 -414.380325 0.000000 BFGS: 132 17:32:44 -414.380325 0.000000 BFGS: 133 17:32:45 -414.380325 0.000000 BFGS: 134 17:32:46 -414.380325 0.000000 BFGS: 135 17:32:47 -414.380325 0.000000 BFGS: 136 17:32:48 -414.380325 0.000000 BFGS: 137 17:32:48 -414.380325 0.000000 BFGS: 138 17:32:49 -414.380325 0.000000 BFGS: 139 17:32:51 -414.380325 0.000000 BFGS: 140 17:32:51 -414.380325 0.000000 BFGS: 141 17:32:52 -414.380325 0.000000 BFGS: 142 17:32:54 -414.380325 0.000000 BFGS: 143 17:32:55 -414.380325 0.000000 BFGS: 144 17:32:56 -414.380325 0.000000 BFGS: 145 17:32:57 -414.380325 0.000000 BFGS: 146 17:32:58 -414.380325 0.000000 BFGS: 147 17:32:59 -414.380325 0.000000 BFGS: 148 17:32:59 -414.380325 0.000000 BFGS: 149 17:33:00 -414.380325 0.000000 BFGS: 150 17:33:00 -414.380325 0.000000 BFGS: 151 17:33:01 -414.380325 0.000000 BFGS: 152 17:33:01 -414.380325 0.000000 BFGS: 153 17:33:01 -414.380325 0.000000 BFGS: 154 17:33:02 -414.380325 0.000000 BFGS: 155 17:33:02 -414.380325 0.000000 BFGS: 156 17:33:02 -414.380325 0.000000 BFGS: 157 17:33:02 -414.380325 0.000000 BFGS: 158 17:33:03 -414.380325 0.000000 BFGS: 159 17:33:03 -414.380325 0.000000 BFGS: 160 17:33:03 -414.380325 0.000000 BFGS: 161 17:33:04 -414.380325 0.000000 BFGS: 162 17:33:04 -414.380325 0.000000 BFGS: 163 17:33:05 -414.380325 0.000000 BFGS: 164 17:33:05 -414.380325 0.000000 BFGS: 165 17:33:06 -414.380325 0.000000 BFGS: 166 17:33:06 -414.380325 0.000000 BFGS: 167 17:33:07 -414.380325 0.000000 BFGS: 168 17:33:08 -414.380325 0.000000 BFGS: 169 17:33:08 -414.380325 0.000000 BFGS: 170 17:33:09 -414.380325 0.000000 BFGS: 171 17:33:09 -414.380325 0.000000 BFGS: 172 17:33:10 -414.380325 0.000000 BFGS: 173 17:33:11 -414.380325 0.000000 BFGS: 174 17:33:11 -414.380325 0.000000 BFGS: 175 17:33:11 -414.380325 0.000000 BFGS: 176 17:33:11 -414.380325 0.000000 BFGS: 177 17:33:12 -414.380325 0.000000 BFGS: 178 17:33:12 -414.380325 0.000000 BFGS: 179 17:33:12 -414.380325 0.000000 BFGS: 180 17:33:12 -414.380325 0.000000 BFGS: 181 17:33:12 -414.380325 0.000000 BFGS: 182 17:33:12 -414.380325 0.000000 BFGS: 183 17:33:13 -414.380325 0.000000 BFGS: 184 17:33:13 -414.380325 0.000000 BFGS: 185 17:33:13 -414.380325 0.000000 BFGS: 186 17:33:13 -414.380325 0.000000 BFGS: 187 17:33:13 -414.380325 0.000000 BFGS: 188 17:33:14 -414.380325 0.000000 BFGS: 189 17:33:14 -414.380325 0.000000 BFGS: 190 17:33:14 -414.380325 0.000000 BFGS: 191 17:33:14 -414.380325 0.000000 BFGS: 192 17:33:15 -414.380325 0.000000 BFGS: 193 17:33:15 -414.380325 0.000000 BFGS: 194 17:33:15 -414.380325 0.000000 BFGS: 195 17:33:16 -414.380325 0.000000 BFGS: 196 17:33:16 -414.380325 0.000000 BFGS: 197 17:33:16 -414.380325 0.000000 BFGS: 198 17:33:17 -414.380325 0.000000 BFGS: 199 17:33:17 -414.380325 0.000000 Minimization converged after 199 steps. Maximum force component: 9.399993192011933e-09 eV/Angstrom Maximum stress component: 2.8487820171812982e-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', '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', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg'] basis = [[0.14808958 0.90879472 0.50098327] [0.09120528 0.23929487 0.50098327] [0.76070513 0.85191042 0.50098327] [0.81475625 0.24212805 0.8343166 ] [0.75787195 0.5726282 0.8343166 ] [0.4273718 0.18524375 0.8343166 ] [0.48142292 0.57546138 0.16764993] [0.42453862 0.90596153 0.16764993] [0.09403847 0.51857708 0.16764993] [0.85191042 0.09120528 0.49901673] [0.90879472 0.76070513 0.49901673] [0.23929487 0.14808958 0.49901673] [0.51857708 0.42453862 0.83235007] [0.57546138 0.09403847 0.83235007] [0.90596153 0.48142292 0.83235007] [0.18524375 0.75787195 0.1656834 ] [0.24212805 0.4273718 0.1656834 ] [0.5726282 0.81475625 0.1656834 ] [0.03486979 0.77206481 0.60449978] [0.22793519 0.26280498 0.60449978] [0.73719502 0.96513021 0.60449978] [0.70153646 0.10539815 0.93783312] [0.89460185 0.59613831 0.93783312] [0.40386169 0.29846354 0.93783312] [0.36820313 0.43873148 0.27116645] [0.56126852 0.92947165 0.27116645] [0.07052835 0.63179687 0.27116645] [0.96513021 0.22793519 0.39550022] [0.77206481 0.73719502 0.39550022] [0.26280498 0.03486979 0.39550022] [0.63179687 0.56126852 0.72883355] [0.43873148 0.07052835 0.72883355] [0.92947165 0.36820313 0.72883355] [0.29846354 0.89460185 0.06216688] [0.10539815 0.40386169 0.06216688] [0.59613831 0.70153646 0.06216688] [0.01973696 0.88445701 0.70348524] [0.11554299 0.13527996 0.70348524] [0.86472004 0.98026304 0.70348524] [0.68640363 0.21779034 0.03681857] [0.78220966 0.46861329 0.03681857] [0.53138671 0.31359637 0.03681857] [0.3530703 0.55112367 0.3701519 ] [0.44887633 0.80194662 0.3701519 ] [0.19805338 0.6469297 0.3701519 ] [0.98026304 0.11554299 0.29651476] [0.88445701 0.86472004 0.29651476] [0.13527996 0.01973696 0.29651476] [0.6469297 0.44887633 0.6298481 ] [0.55112367 0.19805338 0.6298481 ] [0.80194662 0.3530703 0.6298481 ] [0.31359637 0.78220966 0.96318143] [0.21779034 0.53138671 0.96318143] [0.46861329 0.68640363 0.96318143] [0.81275007 0.78141399 0.77201567] [0.21858601 0.03133609 0.77201567] [0.96866391 0.18724993 0.77201567] [0.47941674 0.11474732 0.105349 ] [0.88525268 0.36466942 0.105349 ] [0.63533058 0.52058326 0.105349 ] [0.14608341 0.44808065 0.43868233] [0.55191935 0.69800276 0.43868233] [0.30199724 0.85391659 0.43868233] [0.18724993 0.21858601 0.22798433] [0.78141399 0.96866391 0.22798433] [0.03133609 0.81275007 0.22798433] [0.85391659 0.55191935 0.56131767] [0.44808065 0.30199724 0.56131767] [0.69800276 0.14608341 0.56131767] [0.52058326 0.88525268 0.894651 ] [0.11474732 0.63533058 0.894651 ] [0.36466942 0.47941674 0.894651 ] [0.2570129 0.81029001 0.5722043 ] [0.18970999 0.44672289 0.5722043 ] [0.55327711 0.7429871 0.5722043 ] [0.92367957 0.14362334 0.90553763] [0.85637666 0.78005623 0.90553763] [0.21994377 0.07632043 0.90553763] [0.59034623 0.47695667 0.23887096] [0.52304333 0.11338956 0.23887096] [0.88661044 0.40965377 0.23887096] [0.7429871 0.18970999 0.4277957 ] [0.81029001 0.55327711 0.4277957 ] [0.44672289 0.2570129 0.4277957 ] [0.40965377 0.52304333 0.76112904] [0.47695667 0.88661044 0.76112904] [0.11338956 0.59034623 0.76112904] [0.07632043 0.85637666 0.09446237] [0.14362334 0.21994377 0.09446237] [0.78005623 0.92367957 0.09446237] [1. 0. 1. ] [0.66666667 0.33333333 0.33333333] [0.33333333 0.66666667 0.66666667] [1. 1. 0.83636902] [0.66666667 0.33333333 0.16970235] [0.33333333 0.66666667 0.50303569] [1. 0. 0.16363098] [0.66666667 0.33333333 0.49696431] [0.33333333 0.66666667 0.83029765] [1. 0. 0.57754053] [0.66666667 0.33333333 0.91087387] [0.33333333 0.66666667 0.2442072 ] [1. 0. 0.42245947] [0.66666667 0.33333333 0.7557928 ] [0.33333333 0.66666667 0.08912613] [0.78096222 0.73891046 0.6260951 ] [0.26108954 0.04205175 0.6260951 ] [0.95794825 0.21903778 0.6260951 ] [0.44762888 0.0722438 0.95942844] [0.9277562 0.37538509 0.95942844] [0.62461491 0.55237112 0.95942844] [0.11429555 0.40557713 0.29276177] [0.59442287 0.70871842 0.29276177] [0.29128158 0.88570445 0.29276177] [0.21903778 0.26108954 0.3739049 ] [0.73891046 0.95794825 0.3739049 ] [0.04205175 0.78096222 0.3739049 ] [0.88570445 0.59442287 0.70723823] [0.40557713 0.29128158 0.70723823] [0.70871842 0.11429555 0.70723823] [0.55237112 0.9277562 0.04057156] [0.0722438 0.62461491 0.04057156] [0.37538509 0.44762888 0.04057156] [0.63776693 0.5704912 0.51462438] [0.4295088 0.06727573 0.51462438] [0.93272427 0.36223307 0.51462438] [0.30443359 0.90382453 0.84795772] [0.09617547 0.40060906 0.84795772] [0.59939094 0.69556641 0.84795772] [0.97110026 0.23715786 0.18129105] [0.76284214 0.7339424 0.18129105] [0.2660576 0.02889974 0.18129105] [0.36223307 0.4295088 0.48537562] [0.5704912 0.93272427 0.48537562] [0.06727573 0.63776693 0.48537562] [0.02889974 0.76284214 0.81870895] [0.23715786 0.2660576 0.81870895] [0.7339424 0.97110026 0.81870895] [0.69556641 0.09617547 0.15204228] [0.90382453 0.59939094 0.15204228] [0.40060906 0.30443359 0.15204228] [0.2220132 0.82224882 0.70698648] [0.17775118 0.39976438 0.70698648] [0.60023562 0.7779868 0.70698648] [0.88867987 0.15558216 0.04031981] [0.84441784 0.73309771 0.04031981] [0.26690229 0.11132013 0.04031981] [0.55534654 0.48891549 0.37365314] [0.51108451 0.06643104 0.37365314] [0.93356896 0.44465346 0.37365314] [0.7779868 0.17775118 0.29301352] [0.82224882 0.60023562 0.29301352] [0.39976438 0.2220132 0.29301352] [0.44465346 0.51108451 0.62634686] [0.48891549 0.93356896 0.62634686] [0.06643104 0.55534654 0.62634686] [0.11132013 0.84441784 0.95968019] [0.15558216 0.26690229 0.95968019] [0.73309771 0.88867987 0.95968019]] cellpar = Cell([[12.849663510685978, 9.45111747925906e-13, 1.0198935436091439e-17], [-6.424831755343809, 11.128135030335555, 2.5593820447707015e-17], [9.108085112409705e-16, 9.535450731252294e-16, 21.662692071367953]]) forces = [[-2.76619649e-09 -1.85544158e-09 -1.75315347e-09] [ 2.98995779e-09 -1.46787564e-09 -1.75315347e-09] [-2.23761298e-10 3.32331723e-09 -1.75315347e-09] [-2.76619649e-09 -1.85544158e-09 -1.75315347e-09] [ 2.98995779e-09 -1.46787564e-09 -1.75315347e-09] [-2.23761298e-10 3.32331723e-09 -1.75315347e-09] [-2.76619649e-09 -1.85544158e-09 -1.75315347e-09] [ 2.98995779e-09 -1.46787564e-09 -1.75315347e-09] [-2.23761298e-10 3.32331723e-09 -1.75315347e-09] [ 2.76619649e-09 1.85544158e-09 1.75315347e-09] [-2.98995779e-09 1.46787564e-09 1.75315347e-09] [ 2.23761298e-10 -3.32331723e-09 1.75315347e-09] [ 2.76619649e-09 1.85544158e-09 1.75315347e-09] [-2.98995779e-09 1.46787564e-09 1.75315347e-09] [ 2.23761298e-10 -3.32331723e-09 1.75315347e-09] [ 2.76619649e-09 1.85544158e-09 1.75315347e-09] [-2.98995779e-09 1.46787564e-09 1.75315347e-09] [ 2.23761298e-10 -3.32331723e-09 1.75315347e-09] [-4.21573355e-09 4.55932501e-09 -7.43813282e-09] [-1.84062451e-09 -5.93059485e-09 -7.43813282e-09] [ 6.05635806e-09 1.37126984e-09 -7.43813282e-09] [-4.21573355e-09 4.55932501e-09 -7.43813282e-09] [-1.84062451e-09 -5.93059485e-09 -7.43813282e-09] [ 6.05635806e-09 1.37126984e-09 -7.43813282e-09] [-4.21573355e-09 4.55932501e-09 -7.43813282e-09] [-1.84062451e-09 -5.93059485e-09 -7.43813282e-09] [ 6.05635806e-09 1.37126984e-09 -7.43813282e-09] [ 4.21573355e-09 -4.55932501e-09 7.43813282e-09] [ 1.84062451e-09 5.93059485e-09 7.43813282e-09] [-6.05635806e-09 -1.37126984e-09 7.43813282e-09] [ 4.21573355e-09 -4.55932501e-09 7.43813282e-09] [ 1.84062451e-09 5.93059485e-09 7.43813282e-09] [-6.05635806e-09 -1.37126984e-09 7.43813282e-09] [ 4.21573355e-09 -4.55932501e-09 7.43813282e-09] [ 1.84062451e-09 5.93059485e-09 7.43813282e-09] [-6.05635806e-09 -1.37126984e-09 7.43813282e-09] [ 1.73646470e-10 -2.48865319e-09 -1.63367879e-09] [ 2.06841365e-09 1.39470885e-09 -1.63367879e-09] [-2.24206012e-09 1.09394434e-09 -1.63367879e-09] [ 1.73646470e-10 -2.48865319e-09 -1.63367879e-09] [ 2.06841365e-09 1.39470885e-09 -1.63367879e-09] [-2.24206012e-09 1.09394434e-09 -1.63367879e-09] [ 1.73646470e-10 -2.48865319e-09 -1.63367879e-09] [ 2.06841365e-09 1.39470885e-09 -1.63367879e-09] [-2.24206012e-09 1.09394434e-09 -1.63367879e-09] [-1.73646470e-10 2.48865319e-09 1.63367879e-09] [-2.06841365e-09 -1.39470885e-09 1.63367879e-09] [ 2.24206012e-09 -1.09394434e-09 1.63367879e-09] [-1.73646470e-10 2.48865319e-09 1.63367879e-09] [-2.06841365e-09 -1.39470885e-09 1.63367879e-09] [ 2.24206012e-09 -1.09394434e-09 1.63367879e-09] [-1.73646470e-10 2.48865319e-09 1.63367879e-09] [-2.06841365e-09 -1.39470885e-09 1.63367879e-09] [ 2.24206012e-09 -1.09394434e-09 1.63367879e-09] [-3.87674859e-09 8.48261519e-10 4.72586828e-09] [ 1.20375827e-09 -3.78149352e-09 4.72586828e-09] [ 2.67299032e-09 2.93323200e-09 4.72586828e-09] [-3.87674859e-09 8.48261519e-10 4.72586828e-09] [ 1.20375827e-09 -3.78149352e-09 4.72586828e-09] [ 2.67299032e-09 2.93323200e-09 4.72586828e-09] [-3.87674859e-09 8.48261519e-10 4.72586828e-09] [ 1.20375827e-09 -3.78149352e-09 4.72586828e-09] [ 2.67299032e-09 2.93323200e-09 4.72586828e-09] [ 3.87674859e-09 -8.48261519e-10 -4.72586828e-09] [-1.20375827e-09 3.78149352e-09 -4.72586828e-09] [-2.67299032e-09 -2.93323200e-09 -4.72586828e-09] [ 3.87674859e-09 -8.48261519e-10 -4.72586828e-09] [-1.20375827e-09 3.78149352e-09 -4.72586828e-09] [-2.67299032e-09 -2.93323200e-09 -4.72586828e-09] [ 3.87674859e-09 -8.48261519e-10 -4.72586828e-09] [-1.20375827e-09 3.78149352e-09 -4.72586828e-09] [-2.67299032e-09 -2.93323200e-09 -4.72586828e-09] [-9.03358934e-10 2.07086480e-09 -1.06726318e-09] [-1.34174206e-09 -1.81776419e-09 -1.06726318e-09] [ 2.24510099e-09 -2.53100615e-10 -1.06726318e-09] [-9.03358934e-10 2.07086480e-09 -1.06726318e-09] [-1.34174206e-09 -1.81776419e-09 -1.06726318e-09] [ 2.24510099e-09 -2.53100615e-10 -1.06726318e-09] [-9.03358934e-10 2.07086480e-09 -1.06726318e-09] [-1.34174206e-09 -1.81776419e-09 -1.06726318e-09] [ 2.24510099e-09 -2.53100615e-10 -1.06726318e-09] [ 9.03358934e-10 -2.07086480e-09 1.06726318e-09] [ 1.34174206e-09 1.81776419e-09 1.06726318e-09] [-2.24510099e-09 2.53100615e-10 1.06726318e-09] [ 9.03358934e-10 -2.07086480e-09 1.06726318e-09] [ 1.34174206e-09 1.81776419e-09 1.06726318e-09] [-2.24510099e-09 2.53100615e-10 1.06726318e-09] [ 9.03358934e-10 -2.07086480e-09 1.06726318e-09] [ 1.34174206e-09 1.81776419e-09 1.06726318e-09] [-2.24510099e-09 2.53100615e-10 1.06726318e-09] [ 1.40786072e-31 1.03484941e-44 -1.48340719e-31] [ 4.22358216e-31 3.10598475e-44 -1.18672576e-31] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-3.95223125e-25 -4.13767222e-25 -9.39999319e-09] [-3.95223125e-25 -4.13767222e-25 -9.39999319e-09] [-3.95223125e-25 -4.13767222e-25 -9.39999319e-09] [ 3.95223125e-25 4.13767222e-25 9.39999319e-09] [ 3.95223125e-25 4.13767222e-25 9.39999319e-09] [ 3.95223125e-25 4.13767222e-25 9.39999319e-09] [ 7.95322827e-26 8.32639145e-26 1.89159442e-09] [ 7.95320187e-26 8.32638841e-26 1.89159442e-09] [ 7.95320011e-26 8.32639145e-26 1.89159442e-09] [-7.95318603e-26 -8.32641584e-26 -1.89159442e-09] [-7.95322123e-26 -8.32640365e-26 -1.89159442e-09] [-7.95318603e-26 -8.32641584e-26 -1.89159442e-09] [-4.27548025e-09 -2.98792181e-09 3.80732195e-09] [ 4.72535631e-09 -2.20871360e-09 3.80732195e-09] [-4.49876067e-10 5.19663541e-09 3.80732195e-09] [-4.27548025e-09 -2.98792181e-09 3.80732195e-09] [ 4.72535631e-09 -2.20871360e-09 3.80732195e-09] [-4.49876067e-10 5.19663541e-09 3.80732195e-09] [-4.27548025e-09 -2.98792181e-09 3.80732195e-09] [ 4.72535631e-09 -2.20871360e-09 3.80732195e-09] [-4.49876067e-10 5.19663541e-09 3.80732195e-09] [ 4.27548025e-09 2.98792181e-09 -3.80732195e-09] [-4.72535631e-09 2.20871360e-09 -3.80732195e-09] [ 4.49876067e-10 -5.19663541e-09 -3.80732195e-09] [ 4.27548025e-09 2.98792181e-09 -3.80732195e-09] [-4.72535631e-09 2.20871360e-09 -3.80732195e-09] [ 4.49876067e-10 -5.19663541e-09 -3.80732195e-09] [ 4.27548025e-09 2.98792181e-09 -3.80732195e-09] [-4.72535631e-09 2.20871360e-09 -3.80732195e-09] [ 4.49876067e-10 -5.19663541e-09 -3.80732195e-09] [ 7.16668589e-09 -2.28559908e-09 -3.47486936e-10] [-1.60395608e-09 7.34933158e-09 -3.47486936e-10] [-5.56272981e-09 -5.06373250e-09 -3.47486936e-10] [ 7.16668589e-09 -2.28559908e-09 -3.47486936e-10] [-1.60395608e-09 7.34933158e-09 -3.47486936e-10] [-5.56272981e-09 -5.06373250e-09 -3.47486936e-10] [ 7.16668589e-09 -2.28559908e-09 -3.47486936e-10] [-1.60395608e-09 7.34933158e-09 -3.47486936e-10] [-5.56272981e-09 -5.06373250e-09 -3.47486936e-10] [-7.16668589e-09 2.28559908e-09 3.47486936e-10] [ 1.60395608e-09 -7.34933158e-09 3.47486936e-10] [ 5.56272981e-09 5.06373250e-09 3.47486936e-10] [-7.16668589e-09 2.28559908e-09 3.47486936e-10] [ 1.60395608e-09 -7.34933158e-09 3.47486936e-10] [ 5.56272981e-09 5.06373250e-09 3.47486936e-10] [-7.16668589e-09 2.28559908e-09 3.47486936e-10] [ 1.60395608e-09 -7.34933158e-09 3.47486936e-10] [ 5.56272981e-09 5.06373250e-09 3.47486936e-10] [ 3.86506345e-09 -2.35169969e-10 7.78535773e-09] [-1.72886856e-09 3.46482812e-09 7.78535773e-09] [-2.13619489e-09 -3.22965815e-09 7.78535773e-09] [ 3.86506345e-09 -2.35169969e-10 7.78535773e-09] [-1.72886856e-09 3.46482812e-09 7.78535773e-09] [-2.13619489e-09 -3.22965815e-09 7.78535773e-09] [ 3.86506345e-09 -2.35169969e-10 7.78535773e-09] [-1.72886856e-09 3.46482812e-09 7.78535773e-09] [-2.13619489e-09 -3.22965815e-09 7.78535773e-09] [-3.86506345e-09 2.35169969e-10 -7.78535773e-09] [ 1.72886856e-09 -3.46482812e-09 -7.78535773e-09] [ 2.13619489e-09 3.22965815e-09 -7.78535773e-09] [-3.86506345e-09 2.35169969e-10 -7.78535773e-09] [ 1.72886856e-09 -3.46482812e-09 -7.78535773e-09] [ 2.13619489e-09 3.22965815e-09 -7.78535773e-09] [-3.86506345e-09 2.35169969e-10 -7.78535773e-09] [ 1.72886856e-09 -3.46482812e-09 -7.78535773e-09] [ 2.13619489e-09 3.22965815e-09 -7.78535773e-09]] stress = [-1.13335490e-11 -1.13335490e-11 2.84878202e-11 -2.09240183e-26 -6.93998156e-27 2.10960990e-27] energy per atom = -2.6061655683894998 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0