element(s): ['Al', 'Pt'] AFLOW prototype label: A21B8_tI116_88_a5f_2f Parameter names: ['a', 'c/a', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['12.9952', '0.82509696', '0.40725568', '0.8202655', '0.39809635', '0.24818494', '0.83829379', '0.17669856', '0.41052557', '0.80317945', '0.024993866', '0.78128983', '0.45943242', '0.099293474', '0.49042636', '0.96846349', '0.64523092', '0.36937644', '0.84294456', '0.77939314', '0.71471928', '0.34870482', '0.91680281'] model name: EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Pt', 'Pt'] representative atom coordinates = [[0. 0. 0. ] [0.90725568 0.5702655 0.02309635] [0.74818494 0.58829379 0.80169856] [0.91052557 0.55317945 0.64999387] [0.28128983 0.20943242 0.72429347] [0.49042636 0.21846349 0.77023092] [0.36937644 0.09294456 0.90439314] [0.21471928 0.09870482 0.54180281]] spacegroup = 88 cell = [[12.9952, 0, 0], [0, 12.9952, 0], [0, 0, 10.7223]] ========================================= Step Time Energy fmax BFGS: 0 13:36:47 -422.299684 1.935642 BFGS: 1 13:36:48 -422.953476 1.918344 BFGS: 2 13:36:48 -423.890972 1.890583 BFGS: 3 13:36:48 -424.630492 1.865632 BFGS: 4 13:36:48 -425.236261 1.842385 BFGS: 5 13:36:49 -425.750336 1.820351 BFGS: 6 13:36:49 -426.200899 1.799256 BFGS: 7 13:36:49 -426.607059 1.778892 BFGS: 8 13:36:49 -426.981472 1.759310 BFGS: 9 13:36:49 -427.332637 1.740565 BFGS: 10 13:36:49 -427.666736 1.722510 BFGS: 11 13:36:50 -427.987276 1.705317 BFGS: 12 13:36:50 -428.296991 1.688828 BFGS: 13 13:36:50 -428.597655 1.672912 BFGS: 14 13:36:50 -428.890481 1.657414 BFGS: 15 13:36:50 -429.176318 1.642176 BFGS: 16 13:36:51 -429.455724 1.627084 BFGS: 17 13:36:51 -429.729473 1.611930 BFGS: 18 13:36:51 -429.997511 1.596746 BFGS: 19 13:36:51 -430.260315 1.581458 BFGS: 20 13:36:51 -430.518105 1.566054 BFGS: 21 13:36:52 -430.771144 1.550594 BFGS: 22 13:36:52 -431.019894 1.534928 BFGS: 23 13:36:52 -431.264427 1.519192 BFGS: 24 13:36:52 -431.504811 1.503461 BFGS: 25 13:36:52 -431.741562 1.487677 BFGS: 26 13:36:53 -431.974705 1.471917 BFGS: 27 13:36:53 -432.204400 1.456203 BFGS: 28 13:36:53 -432.430622 1.440614 BFGS: 29 13:36:53 -432.653800 1.425029 BFGS: 30 13:36:53 -432.873910 1.409516 BFGS: 31 13:36:54 -433.091227 1.393982 BFGS: 32 13:36:54 -433.305498 1.378598 BFGS: 33 13:36:54 -433.516984 1.363277 BFGS: 34 13:36:54 -433.725614 1.348111 BFGS: 35 13:36:55 -433.931796 1.332899 BFGS: 36 13:36:55 -434.135305 1.317809 BFGS: 37 13:36:55 -434.336467 1.302754 BFGS: 38 13:36:55 -434.535349 1.287735 BFGS: 39 13:36:55 -434.731859 1.272855 BFGS: 40 13:36:55 -434.926206 1.258063 BFGS: 41 13:36:56 -435.118624 1.243312 BFGS: 42 13:36:56 -435.309108 1.228667 BFGS: 43 13:36:56 -435.497768 1.214134 BFGS: 44 13:36:56 -435.684714 1.199715 BFGS: 45 13:36:56 -435.870184 1.185333 BFGS: 46 13:36:57 -436.054011 1.171130 BFGS: 47 13:36:57 -436.236300 1.157085 BFGS: 48 13:36:57 -436.417375 1.143063 BFGS: 49 13:36:57 -436.597159 1.129116 BFGS: 50 13:36:57 -436.775579 1.115264 BFGS: 51 13:36:58 -436.952904 1.101429 BFGS: 52 13:36:58 -437.129004 1.087637 BFGS: 53 13:36:58 -437.303874 1.073884 BFGS: 54 13:36:58 -437.477498 1.060165 BFGS: 55 13:36:58 -437.649408 1.046595 BFGS: 56 13:36:59 -437.820515 1.032947 BFGS: 57 13:36:59 -437.990298 1.019342 BFGS: 58 13:36:59 -438.158731 1.005784 BFGS: 59 13:36:59 -438.325795 0.992275 BFGS: 60 13:36:59 -438.491351 0.978822 BFGS: 61 13:37:00 -438.655472 0.965448 BFGS: 62 13:37:00 -438.818305 0.952094 BFGS: 63 13:37:00 -438.979714 0.938793 BFGS: 64 13:37:00 -439.139691 0.925543 BFGS: 65 13:37:01 -439.298285 0.912379 BFGS: 66 13:37:01 -439.455357 0.899220 BFGS: 67 13:37:01 -439.610980 0.886111 BFGS: 68 13:37:01 -439.765150 0.873052 BFGS: 69 13:37:01 -439.917867 0.860046 BFGS: 70 13:37:02 -440.068974 0.847185 BFGS: 71 13:37:02 -440.218806 0.834287 BFGS: 72 13:37:02 -440.367203 0.821453 BFGS: 73 13:37:02 -440.514179 0.808686 BFGS: 74 13:37:02 -440.659581 0.796040 BFGS: 75 13:37:03 -440.803799 0.783402 BFGS: 76 13:37:03 -440.946650 0.770834 BFGS: 77 13:37:03 -441.088157 0.758331 BFGS: 78 13:37:03 -441.228345 0.745888 BFGS: 79 13:37:03 -441.367239 0.733495 BFGS: 80 13:37:03 -441.504859 0.721143 BFGS: 81 13:37:04 -441.641224 0.708820 BFGS: 82 13:37:04 -441.776347 0.696513 BFGS: 83 13:37:04 -441.910238 0.684209 BFGS: 84 13:37:04 -442.042899 0.671895 BFGS: 85 13:37:04 -442.174329 0.659560 BFGS: 86 13:37:05 -442.304520 0.647192 BFGS: 87 13:37:05 -442.433461 0.634781 BFGS: 88 13:37:05 -442.561134 0.622322 BFGS: 89 13:37:05 -442.687367 0.609896 BFGS: 90 13:37:05 -442.812450 0.597313 BFGS: 91 13:37:06 -442.936194 0.584673 BFGS: 92 13:37:06 -443.058572 0.571978 BFGS: 93 13:37:06 -443.179555 0.559231 BFGS: 94 13:37:06 -443.299117 0.546437 BFGS: 95 13:37:06 -443.417230 0.533601 BFGS: 96 13:37:07 -443.533715 0.520806 BFGS: 97 13:37:07 -443.648852 0.507898 BFGS: 98 13:37:07 -443.762663 0.494925 BFGS: 99 13:37:07 -443.874781 0.481986 BFGS: 100 13:37:07 -443.985357 0.469047 BFGS: 101 13:37:08 -444.094381 0.456115 BFGS: 102 13:37:08 -444.201845 0.443197 BFGS: 103 13:37:08 -444.307744 0.430297 BFGS: 104 13:37:08 -444.412075 0.417418 BFGS: 105 13:37:08 -444.514837 0.404560 BFGS: 106 13:37:09 -444.616033 0.391723 BFGS: 107 13:37:09 -444.715545 0.378975 BFGS: 108 13:37:09 -444.813636 0.366163 BFGS: 109 13:37:09 -444.910022 0.353450 BFGS: 110 13:37:09 -445.005050 0.340630 BFGS: 111 13:37:10 -445.098566 0.327811 BFGS: 112 13:37:10 -445.190597 0.314991 BFGS: 113 13:37:10 -445.281349 0.302072 BFGS: 114 13:37:10 -445.370539 0.289250 BFGS: 115 13:37:10 -445.458371 0.276442 BFGS: 116 13:37:11 -445.545035 0.266200 BFGS: 117 13:37:11 -445.630224 0.264459 BFGS: 118 13:37:11 -445.714359 0.262510 BFGS: 119 13:37:11 -445.797259 0.260358 BFGS: 120 13:37:12 -445.879218 0.258015 BFGS: 121 13:37:12 -445.960169 0.255486 BFGS: 122 13:37:12 -446.040154 0.252776 BFGS: 123 13:37:12 -446.119204 0.249883 BFGS: 124 13:37:13 -446.197014 0.246800 BFGS: 125 13:37:13 -446.274243 0.243515 BFGS: 126 13:37:13 -446.350590 0.239999 BFGS: 127 13:37:13 -446.426058 0.236226 BFGS: 128 13:37:14 -446.500657 0.232167 BFGS: 129 13:37:14 -446.574399 0.227793 BFGS: 130 13:37:14 -446.647306 0.223077 BFGS: 131 13:37:15 -446.719413 0.217996 BFGS: 132 13:37:15 -446.790763 0.214211 BFGS: 133 13:37:15 -446.861420 0.221848 BFGS: 134 13:37:15 -446.931465 0.229844 BFGS: 135 13:37:16 -447.001005 0.238179 BFGS: 136 13:37:16 -447.070173 0.246813 BFGS: 137 13:37:16 -447.139137 0.255679 BFGS: 138 13:37:17 -447.207986 0.264678 BFGS: 139 13:37:17 -447.277180 0.273679 BFGS: 140 13:37:17 -447.346891 0.282538 BFGS: 141 13:37:18 -447.417411 0.291109 BFGS: 142 13:37:18 -447.489029 0.299280 BFGS: 143 13:37:18 -447.561994 0.307000 BFGS: 144 13:37:18 -447.636334 0.314301 BFGS: 145 13:37:19 -447.712616 0.321293 BFGS: 146 13:37:19 -447.790467 0.328155 BFGS: 147 13:37:19 -447.869927 0.335057 BFGS: 148 13:37:20 -447.950154 0.342120 BFGS: 149 13:37:20 -448.031860 0.349436 BFGS: 150 13:37:20 -448.114865 0.357019 BFGS: 151 13:37:21 -448.199976 0.364766 BFGS: 152 13:37:21 -448.288270 0.372448 BFGS: 153 13:37:22 -448.381538 0.379656 BFGS: 154 13:37:22 -448.483033 0.385560 BFGS: 155 13:37:22 -448.598494 0.389085 BFGS: 156 13:37:23 -448.743297 0.385576 BFGS: 157 13:37:23 -448.937090 0.387404 BFGS: 158 13:37:23 -449.142382 0.396287 BFGS: 159 13:37:23 -449.376664 0.463009 BFGS: 160 13:37:24 -449.576237 0.519064 BFGS: 161 13:37:24 -449.736571 0.539887 BFGS: 162 13:37:25 -449.879081 0.534646 BFGS: 163 13:37:25 -450.015404 0.515776 BFGS: 164 13:37:25 -450.149675 0.490208 BFGS: 165 13:37:26 -450.283807 0.461643 BFGS: 166 13:37:26 -450.418489 0.432765 BFGS: 167 13:37:26 -450.554413 0.404465 BFGS: 168 13:37:27 -450.691918 0.377305 BFGS: 169 13:37:27 -450.831412 0.351570 BFGS: 170 13:37:27 -450.972569 0.340668 BFGS: 171 13:37:28 -451.115732 0.336205 BFGS: 172 13:37:28 -451.260794 0.331697 BFGS: 173 13:37:28 -451.408231 0.327260 BFGS: 174 13:37:29 -451.557438 0.322662 BFGS: 175 13:37:29 -451.707924 0.317770 BFGS: 176 13:37:29 -451.859568 0.312785 BFGS: 177 13:37:30 -452.010945 0.307442 BFGS: 178 13:37:30 -452.160411 0.304010 BFGS: 179 13:37:30 -452.306789 0.298632 BFGS: 180 13:37:31 -452.448676 0.289506 BFGS: 181 13:37:31 -452.584474 0.281272 BFGS: 182 13:37:31 -452.713109 0.279931 BFGS: 183 13:37:32 -452.834023 0.284018 BFGS: 184 13:37:32 -452.946442 0.285640 BFGS: 185 13:37:32 -453.050839 0.285237 BFGS: 186 13:37:33 -453.147945 0.283080 BFGS: 187 13:37:33 -453.238680 0.280098 BFGS: 188 13:37:33 -453.324581 0.276773 BFGS: 189 13:37:34 -453.407059 0.273408 BFGS: 190 13:37:34 -453.487614 0.270202 BFGS: 191 13:37:35 -453.567158 0.267198 BFGS: 192 13:37:35 -453.646343 0.264450 BFGS: 193 13:37:35 -453.724242 0.262257 BFGS: 194 13:37:36 -453.800796 0.260912 BFGS: 195 13:37:36 -453.875530 0.260859 BFGS: 196 13:37:36 -453.948136 0.262351 BFGS: 197 13:37:37 -454.018530 0.265330 BFGS: 198 13:37:37 -454.086798 0.269415 BFGS: 199 13:37:38 -454.153122 0.274048 BFGS: 200 13:37:38 -454.217745 0.278681 BFGS: 201 13:37:38 -454.280963 0.282890 BFGS: 202 13:37:39 -454.343260 0.286406 BFGS: 203 13:37:39 -454.404889 0.289118 BFGS: 204 13:37:40 -454.466049 0.291002 BFGS: 205 13:37:40 -454.527059 0.291976 BFGS: 206 13:37:40 -454.588466 0.292104 BFGS: 207 13:37:41 -454.650090 0.291341 BFGS: 208 13:37:41 -454.712373 0.289724 BFGS: 209 13:37:42 -454.775322 0.287400 BFGS: 210 13:37:42 -454.839571 0.283726 BFGS: 211 13:37:43 -454.904448 0.279034 BFGS: 212 13:37:43 -454.970204 0.275018 BFGS: 213 13:37:43 -455.036919 0.272019 BFGS: 214 13:37:44 -455.104426 0.267949 BFGS: 215 13:37:44 -455.172419 0.262730 BFGS: 216 13:37:45 -455.241285 0.256508 BFGS: 217 13:37:45 -455.310282 0.250742 BFGS: 218 13:37:45 -455.380067 0.246837 BFGS: 219 13:37:46 -455.450114 0.241283 BFGS: 220 13:37:46 -455.520074 0.233768 BFGS: 221 13:37:47 -455.589560 0.224294 BFGS: 222 13:37:47 -455.658249 0.212725 BFGS: 223 13:37:47 -455.725240 0.199113 BFGS: 224 13:37:48 -455.790582 0.183388 BFGS: 225 13:37:48 -455.854109 0.174289 BFGS: 226 13:37:49 -455.915779 0.169416 BFGS: 227 13:37:49 -455.977153 0.178175 BFGS: 228 13:37:49 -456.040858 0.190721 BFGS: 229 13:37:50 -456.118437 0.201712 BFGS: 230 13:37:50 -456.182846 0.188012 BFGS: 231 13:37:50 -456.270749 0.146640 BFGS: 232 13:37:51 -456.315866 0.119000 BFGS: 233 13:37:51 -456.347260 0.113787 BFGS: 234 13:37:52 -456.373206 0.091511 BFGS: 235 13:37:52 -456.392619 0.070378 BFGS: 236 13:37:52 -456.406863 0.072157 BFGS: 237 13:37:53 -456.418858 0.075380 BFGS: 238 13:37:53 -456.429668 0.081182 BFGS: 239 13:37:54 -456.440507 0.077867 BFGS: 240 13:37:54 -456.452388 0.072386 BFGS: 241 13:37:54 -456.463006 0.047927 BFGS: 242 13:37:55 -456.468169 0.036646 BFGS: 243 13:37:55 -456.470764 0.035830 BFGS: 244 13:37:55 -456.472085 0.029808 BFGS: 245 13:37:56 -456.473751 0.019792 BFGS: 246 13:37:56 -456.475661 0.016693 BFGS: 247 13:37:57 -456.476899 0.016771 BFGS: 248 13:37:57 -456.477397 0.015638 BFGS: 249 13:37:57 -456.477665 0.015983 BFGS: 250 13:37:58 -456.477889 0.015640 BFGS: 251 13:37:58 -456.478028 0.014786 BFGS: 252 13:37:59 -456.478091 0.014137 BFGS: 253 13:37:59 -456.478137 0.013836 BFGS: 254 13:37:59 -456.478205 0.013806 BFGS: 255 13:38:00 -456.478282 0.014279 BFGS: 256 13:38:00 -456.478336 0.015058 BFGS: 257 13:38:00 -456.478362 0.015607 BFGS: 258 13:38:01 -456.478387 0.015969 BFGS: 259 13:38:01 -456.478435 0.016388 BFGS: 260 13:38:02 -456.478533 0.016816 BFGS: 261 13:38:02 -456.478691 0.016991 BFGS: 262 13:38:02 -456.478855 0.016584 BFGS: 263 13:38:03 -456.478962 0.015821 BFGS: 264 13:38:03 -456.479033 0.015160 BFGS: 265 13:38:03 -456.479126 0.014502 BFGS: 266 13:38:04 -456.479308 0.013693 BFGS: 267 13:38:04 -456.479613 0.013005 BFGS: 268 13:38:04 -456.479986 0.014695 BFGS: 269 13:38:05 -456.480314 0.017024 BFGS: 270 13:38:05 -456.480599 0.016133 BFGS: 271 13:38:05 -456.480967 0.016155 BFGS: 272 13:38:06 -456.481456 0.017143 BFGS: 273 13:38:06 -456.482120 0.017663 BFGS: 274 13:38:07 -456.482640 0.017820 BFGS: 275 13:38:07 -456.483201 0.017644 BFGS: 276 13:38:07 -456.483764 0.018044 BFGS: 277 13:38:08 -456.484325 0.020033 BFGS: 278 13:38:08 -456.484896 0.021781 BFGS: 279 13:38:08 -456.485495 0.023261 BFGS: 280 13:38:09 -456.486134 0.024478 BFGS: 281 13:38:09 -456.486820 0.025451 BFGS: 282 13:38:09 -456.487557 0.026195 BFGS: 283 13:38:10 -456.488176 0.026727 BFGS: 284 13:38:10 -456.489123 0.027113 BFGS: 285 13:38:11 -456.489917 0.027277 BFGS: 286 13:38:11 -456.490876 0.027370 BFGS: 287 13:38:11 -456.491819 0.027518 BFGS: 288 13:38:12 -456.492842 0.027574 BFGS: 289 13:38:12 -456.493874 0.027524 BFGS: 290 13:38:12 -456.494957 0.027278 BFGS: 291 13:38:13 -456.496049 0.027327 BFGS: 292 13:38:13 -456.497177 0.027221 BFGS: 293 13:38:13 -456.498306 0.026938 BFGS: 294 13:38:14 -456.499459 0.026486 BFGS: 295 13:38:14 -456.500597 0.025856 BFGS: 296 13:38:14 -456.501750 0.025041 BFGS: 297 13:38:15 -456.502697 0.024048 BFGS: 298 13:38:15 -456.503713 0.022980 BFGS: 299 13:38:15 -456.504914 0.021508 BFGS: 300 13:38:16 -456.505835 0.020090 BFGS: 301 13:38:16 -456.507067 0.019406 BFGS: 302 13:38:17 -456.507738 0.019302 BFGS: 303 13:38:17 -456.508671 0.019138 BFGS: 304 13:38:17 -456.509370 0.018332 BFGS: 305 13:38:18 -456.510110 0.016720 BFGS: 306 13:38:18 -456.510689 0.013306 BFGS: 307 13:38:18 -456.511084 0.013299 BFGS: 308 13:38:19 -456.511734 0.011232 BFGS: 309 13:38:19 -456.512021 0.008924 BFGS: 310 13:38:19 -456.512219 0.006629 BFGS: 311 13:38:20 -456.512290 0.005809 BFGS: 312 13:38:20 -456.512425 0.005269 BFGS: 313 13:38:20 -456.512519 0.005074 BFGS: 314 13:38:21 -456.512594 0.005628 BFGS: 315 13:38:21 -456.512648 0.005737 BFGS: 316 13:38:21 -456.512719 0.005402 BFGS: 317 13:38:22 -456.512803 0.004476 BFGS: 318 13:38:22 -456.512869 0.004798 BFGS: 319 13:38:22 -456.512905 0.004719 BFGS: 320 13:38:23 -456.512931 0.004249 BFGS: 321 13:38:23 -456.512972 0.003537 BFGS: 322 13:38:24 -456.513036 0.002975 BFGS: 323 13:38:24 -456.513099 0.002927 BFGS: 324 13:38:24 -456.513256 0.002631 BFGS: 325 13:38:25 -456.513268 0.002203 BFGS: 326 13:38:25 -456.513273 0.001868 BFGS: 327 13:38:25 -456.513280 0.001016 BFGS: 328 13:38:26 -456.513284 0.000760 BFGS: 329 13:38:26 -456.513286 0.000809 BFGS: 330 13:38:26 -456.513287 0.000758 BFGS: 331 13:38:27 -456.513288 0.000628 BFGS: 332 13:38:27 -456.513290 0.000498 BFGS: 333 13:38:27 -456.513291 0.000459 BFGS: 334 13:38:28 -456.513292 0.000428 BFGS: 335 13:38:28 -456.513292 0.000430 BFGS: 336 13:38:29 -456.513292 0.000385 BFGS: 337 13:38:29 -456.513293 0.000263 BFGS: 338 13:38:29 -456.513293 0.000140 BFGS: 339 13:38:30 -456.513293 0.000097 BFGS: 340 13:38:30 -456.513293 0.000072 BFGS: 341 13:38:30 -456.513293 0.000065 BFGS: 342 13:38:31 -456.513293 0.000053 BFGS: 343 13:38:31 -456.513293 0.000035 BFGS: 344 13:38:31 -456.513293 0.000021 BFGS: 345 13:38:32 -456.513293 0.000014 BFGS: 346 13:38:32 -456.513293 0.000011 BFGS: 347 13:38:32 -456.513293 0.000010 BFGS: 348 13:38:33 -456.513293 0.000008 BFGS: 349 13:38:33 -456.513293 0.000004 BFGS: 350 13:38:33 -456.513293 0.000002 BFGS: 351 13:38:34 -456.513293 0.000001 BFGS: 352 13:38:34 -456.513293 0.000001 BFGS: 353 13:38:34 -456.513293 0.000001 BFGS: 354 13:38:35 -456.513293 0.000000 BFGS: 355 13:38:35 -456.513293 0.000000 BFGS: 356 13:38:35 -456.513293 0.000000 BFGS: 357 13:38:36 -456.513293 0.000000 BFGS: 358 13:38:36 -456.513293 0.000000 BFGS: 359 13:38:36 -456.513293 0.000000 BFGS: 360 13:38:37 -456.513293 0.000000 BFGS: 361 13:38:37 -456.513293 0.000000 BFGS: 362 13:38:38 -456.513293 0.000000 BFGS: 363 13:38:38 -456.513293 0.000000 BFGS: 364 13:38:38 -456.513293 0.000000 BFGS: 365 13:38:39 -456.513293 0.000000 BFGS: 366 13:38:39 -456.513293 0.000000 BFGS: 367 13:38:40 -456.513293 0.000000 BFGS: 368 13:38:40 -456.513293 0.000000 BFGS: 369 13:38:40 -456.513293 0.000000 BFGS: 370 13:38:41 -456.513293 0.000000 BFGS: 371 13:38:41 -456.513293 0.000000 BFGS: 372 13:38:42 -456.513293 0.000000 Minimization converged after 372 steps. Maximum force component: 8.428944412342166e-09 eV/Angstrom Maximum stress component: 5.1454405665756165e-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', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt'] basis = [[0.00000000e+00 7.77192386e-32 7.51284832e-32] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 5.00000000e-01 2.50000000e-01] [5.00000000e-01 6.82084324e-32 7.50000000e-01] [9.35045252e-01 5.72715392e-01 9.83891646e-01] [5.64954748e-01 9.27284608e-01 4.83891646e-01] [4.27284608e-01 4.35045252e-01 2.33891646e-01] [7.27153921e-02 6.49547483e-02 7.33891646e-01] [6.49547483e-02 9.27284608e-01 2.66108354e-01] [4.35045252e-01 5.72715392e-01 7.66108354e-01] [5.72715392e-01 6.49547483e-02 1.61083543e-02] [9.27284608e-01 4.35045252e-01 5.16108354e-01] [4.35045252e-01 7.27153921e-02 4.83891646e-01] [6.49547483e-02 4.27284608e-01 9.83891646e-01] [9.27284608e-01 9.35045252e-01 7.33891646e-01] [5.72715392e-01 5.64954748e-01 2.33891646e-01] [5.64954748e-01 4.27284608e-01 7.66108354e-01] [9.35045252e-01 7.27153921e-02 2.66108354e-01] [7.27153921e-02 5.64954748e-01 5.16108354e-01] [4.27284608e-01 9.35045252e-01 1.61083543e-02] [7.78117441e-01 5.93000689e-01 8.49718527e-01] [7.21882559e-01 9.06999311e-01 3.49718527e-01] [4.06999311e-01 2.78117441e-01 9.97185273e-02] [9.30006894e-02 2.21882559e-01 5.99718527e-01] [2.21882559e-01 9.06999311e-01 4.00281473e-01] [2.78117441e-01 5.93000689e-01 9.00281473e-01] [5.93000689e-01 2.21882559e-01 1.50281473e-01] [9.06999311e-01 2.78117441e-01 6.50281473e-01] [2.78117441e-01 9.30006894e-02 3.49718527e-01] [2.21882559e-01 4.06999311e-01 8.49718527e-01] [9.06999311e-01 7.78117441e-01 5.99718527e-01] [5.93000689e-01 7.21882559e-01 9.97185273e-02] [7.21882559e-01 4.06999311e-01 9.00281473e-01] [7.78117441e-01 9.30006894e-02 4.00281473e-01] [9.30006894e-02 7.21882559e-01 6.50281473e-01] [4.06999311e-01 7.78117441e-01 1.50281473e-01] [9.19183536e-01 5.90521286e-01 6.82510687e-01] [5.80816464e-01 9.09478714e-01 1.82510687e-01] [4.09478714e-01 4.19183536e-01 9.32510687e-01] [9.05212865e-02 8.08164635e-02 4.32510687e-01] [8.08164635e-02 9.09478714e-01 5.67489313e-01] [4.19183536e-01 5.90521286e-01 6.74893126e-02] [5.90521286e-01 8.08164635e-02 3.17489313e-01] [9.09478714e-01 4.19183536e-01 8.17489313e-01] [4.19183536e-01 9.05212865e-02 1.82510687e-01] [8.08164635e-02 4.09478714e-01 6.82510687e-01] [9.09478714e-01 9.19183536e-01 4.32510687e-01] [5.90521286e-01 5.80816464e-01 9.32510687e-01] [5.80816464e-01 4.09478714e-01 6.74893126e-02] [9.19183536e-01 9.05212865e-02 5.67489313e-01] [9.05212865e-02 5.80816464e-01 8.17489313e-01] [4.09478714e-01 9.19183536e-01 3.17489313e-01] [2.42104047e-01 2.19426092e-01 7.65385296e-01] [2.57895953e-01 2.80573908e-01 2.65385296e-01] [7.80573908e-01 7.42104047e-01 1.53852960e-02] [7.19426092e-01 7.57895953e-01 5.15385296e-01] [7.57895953e-01 2.80573908e-01 4.84614704e-01] [7.42104047e-01 2.19426092e-01 9.84614704e-01] [2.19426092e-01 7.57895953e-01 2.34614704e-01] [2.80573908e-01 7.42104047e-01 7.34614704e-01] [7.42104047e-01 7.19426092e-01 2.65385296e-01] [7.57895953e-01 7.80573908e-01 7.65385296e-01] [2.80573908e-01 2.42104047e-01 5.15385296e-01] [2.19426092e-01 2.57895953e-01 1.53852960e-02] [2.57895953e-01 7.80573908e-01 9.84614704e-01] [2.42104047e-01 7.19426092e-01 4.84614704e-01] [7.19426092e-01 2.57895953e-01 7.34614704e-01] [7.80573908e-01 2.42104047e-01 2.34614704e-01] [4.33929011e-01 1.83973495e-01 6.76652883e-01] [6.60709893e-02 3.16026505e-01 1.76652883e-01] [8.16026505e-01 9.33929011e-01 9.26652883e-01] [6.83973495e-01 5.66070989e-01 4.26652883e-01] [5.66070989e-01 3.16026505e-01 5.73347117e-01] [9.33929011e-01 1.83973495e-01 7.33471165e-02] [1.83973495e-01 5.66070989e-01 3.23347117e-01] [3.16026505e-01 9.33929011e-01 8.23347117e-01] [9.33929011e-01 6.83973495e-01 1.76652883e-01] [5.66070989e-01 8.16026505e-01 6.76652883e-01] [3.16026505e-01 4.33929011e-01 4.26652883e-01] [1.83973495e-01 6.60709893e-02 9.26652883e-01] [6.60709893e-02 8.16026505e-01 7.33471165e-02] [4.33929011e-01 6.83973495e-01 5.73347117e-01] [6.83973495e-01 6.60709893e-02 8.23347117e-01] [8.16026505e-01 4.33929011e-01 3.23347117e-01] [3.85230241e-01 1.29440959e-01 9.22251644e-01] [1.14769759e-01 3.70559041e-01 4.22251644e-01] [8.70559041e-01 8.85230241e-01 1.72251644e-01] [6.29440959e-01 6.14769759e-01 6.72251644e-01] [6.14769759e-01 3.70559041e-01 3.27748356e-01] [8.85230241e-01 1.29440959e-01 8.27748356e-01] [1.29440959e-01 6.14769759e-01 7.77483558e-02] [3.70559041e-01 8.85230241e-01 5.77748356e-01] [8.85230241e-01 6.29440959e-01 4.22251644e-01] [6.14769759e-01 8.70559041e-01 9.22251644e-01] [3.70559041e-01 3.85230241e-01 6.72251644e-01] [1.29440959e-01 1.14769759e-01 1.72251644e-01] [1.14769759e-01 8.70559041e-01 8.27748356e-01] [3.85230241e-01 6.29440959e-01 3.27748356e-01] [6.29440959e-01 1.14769759e-01 5.77748356e-01] [8.70559041e-01 3.85230241e-01 7.77483558e-02] [2.54086384e-01 4.13618886e-02 6.14221795e-01] [2.45913616e-01 4.58638111e-01 1.14221795e-01] [9.58638111e-01 7.54086384e-01 8.64221795e-01] [5.41361889e-01 7.45913616e-01 3.64221795e-01] [7.45913616e-01 4.58638111e-01 6.35778205e-01] [7.54086384e-01 4.13618886e-02 1.35778205e-01] [4.13618886e-02 7.45913616e-01 3.85778205e-01] [4.58638111e-01 7.54086384e-01 8.85778205e-01] [7.54086384e-01 5.41361889e-01 1.14221795e-01] [7.45913616e-01 9.58638111e-01 6.14221795e-01] [4.58638111e-01 2.54086384e-01 3.64221795e-01] [4.13618886e-02 2.45913616e-01 8.64221795e-01] [2.45913616e-01 9.58638111e-01 1.35778205e-01] [2.54086384e-01 5.41361889e-01 6.35778205e-01] [5.41361889e-01 2.45913616e-01 8.85778205e-01] [9.58638111e-01 2.54086384e-01 3.85778205e-01]] cellpar = Cell([[13.493960901969023, 5.091270541428848e-19, -1.2701680460775447e-36], [-5.091270541428752e-19, 13.49396090196903, -1.3375794006290084e-18], [2.264539948104425e-36, -1.103266728590472e-18, 11.086617720657298]]) forces = [[ 3.32651819e-31 -9.97955457e-31 6.83265570e-32] [-3.32651819e-31 3.32651819e-31 2.73306228e-31] [ 3.32651819e-31 1.66325910e-30 1.09322491e-30] [-3.13773773e-50 8.31629548e-31 2.73306228e-31] [ 3.61955124e-09 7.95917513e-10 4.64656628e-09] [-3.61955124e-09 -7.95917513e-10 4.64656628e-09] [-7.95917513e-10 3.61955124e-09 4.64656628e-09] [ 7.95917513e-10 -3.61955124e-09 4.64656628e-09] [-3.61955124e-09 -7.95917513e-10 -4.64656628e-09] [ 3.61955124e-09 7.95917513e-10 -4.64656628e-09] [ 7.95917513e-10 -3.61955124e-09 -4.64656628e-09] [-7.95917513e-10 3.61955124e-09 -4.64656628e-09] [ 3.61955124e-09 7.95917513e-10 4.64656628e-09] [-3.61955124e-09 -7.95917513e-10 4.64656628e-09] [-7.95917513e-10 3.61955124e-09 4.64656628e-09] [ 7.95917513e-10 -3.61955124e-09 4.64656628e-09] [-3.61955124e-09 -7.95917513e-10 -4.64656628e-09] [ 3.61955124e-09 7.95917513e-10 -4.64656628e-09] [ 7.95917513e-10 -3.61955124e-09 -4.64656628e-09] [-7.95917513e-10 3.61955124e-09 -4.64656628e-09] [-1.47503726e-09 -2.94583573e-09 4.55577641e-09] [ 1.47503726e-09 2.94583573e-09 4.55577641e-09] [ 2.94583573e-09 -1.47503726e-09 4.55577641e-09] [-2.94583573e-09 1.47503726e-09 4.55577641e-09] [ 1.47503726e-09 2.94583573e-09 -4.55577641e-09] [-1.47503726e-09 -2.94583573e-09 -4.55577641e-09] [-2.94583573e-09 1.47503726e-09 -4.55577641e-09] [ 2.94583573e-09 -1.47503726e-09 -4.55577641e-09] [-1.47503726e-09 -2.94583573e-09 4.55577641e-09] [ 1.47503726e-09 2.94583573e-09 4.55577641e-09] [ 2.94583573e-09 -1.47503726e-09 4.55577641e-09] [-2.94583573e-09 1.47503726e-09 4.55577641e-09] [ 1.47503726e-09 2.94583573e-09 -4.55577641e-09] [-1.47503726e-09 -2.94583573e-09 -4.55577641e-09] [-2.94583573e-09 1.47503726e-09 -4.55577641e-09] [ 2.94583573e-09 -1.47503726e-09 -4.55577641e-09] [ 7.40363730e-10 2.99743084e-09 -1.75611465e-09] [-7.40363730e-10 -2.99743084e-09 -1.75611465e-09] [-2.99743084e-09 7.40363730e-10 -1.75611465e-09] [ 2.99743084e-09 -7.40363730e-10 -1.75611465e-09] [-7.40363730e-10 -2.99743084e-09 1.75611465e-09] [ 7.40363730e-10 2.99743084e-09 1.75611465e-09] [ 2.99743084e-09 -7.40363730e-10 1.75611465e-09] [-2.99743084e-09 7.40363730e-10 1.75611465e-09] [ 7.40363730e-10 2.99743084e-09 -1.75611465e-09] [-7.40363730e-10 -2.99743084e-09 -1.75611465e-09] [-2.99743084e-09 7.40363730e-10 -1.75611465e-09] [ 2.99743084e-09 -7.40363730e-10 -1.75611465e-09] [-7.40363730e-10 -2.99743084e-09 1.75611465e-09] [ 7.40363730e-10 2.99743084e-09 1.75611465e-09] [ 2.99743084e-09 -7.40363730e-10 1.75611465e-09] [-2.99743084e-09 7.40363730e-10 1.75611465e-09] [ 4.06125506e-09 -7.08835046e-09 -1.68730070e-09] [-4.06125506e-09 7.08835046e-09 -1.68730070e-09] [ 7.08835046e-09 4.06125506e-09 -1.68730070e-09] [-7.08835046e-09 -4.06125506e-09 -1.68730070e-09] [-4.06125506e-09 7.08835046e-09 1.68730070e-09] [ 4.06125506e-09 -7.08835046e-09 1.68730070e-09] [-7.08835046e-09 -4.06125506e-09 1.68730070e-09] [ 7.08835046e-09 4.06125506e-09 1.68730070e-09] [ 4.06125506e-09 -7.08835046e-09 -1.68730070e-09] [-4.06125506e-09 7.08835046e-09 -1.68730070e-09] [ 7.08835046e-09 4.06125506e-09 -1.68730070e-09] [-7.08835046e-09 -4.06125506e-09 -1.68730070e-09] [-4.06125506e-09 7.08835046e-09 1.68730070e-09] [ 4.06125506e-09 -7.08835046e-09 1.68730070e-09] [-7.08835046e-09 -4.06125506e-09 1.68730070e-09] [ 7.08835046e-09 4.06125506e-09 1.68730070e-09] [-2.94447248e-09 -8.42894441e-09 -2.62435167e-09] [ 2.94447248e-09 8.42894441e-09 -2.62435167e-09] [ 8.42894441e-09 -2.94447248e-09 -2.62435167e-09] [-8.42894441e-09 2.94447248e-09 -2.62435167e-09] [ 2.94447248e-09 8.42894441e-09 2.62435167e-09] [-2.94447248e-09 -8.42894441e-09 2.62435167e-09] [-8.42894441e-09 2.94447248e-09 2.62435167e-09] [ 8.42894441e-09 -2.94447248e-09 2.62435167e-09] [-2.94447248e-09 -8.42894441e-09 -2.62435167e-09] [ 2.94447248e-09 8.42894441e-09 -2.62435167e-09] [ 8.42894441e-09 -2.94447248e-09 -2.62435167e-09] [-8.42894441e-09 2.94447248e-09 -2.62435167e-09] [ 2.94447248e-09 8.42894441e-09 2.62435167e-09] [-2.94447248e-09 -8.42894441e-09 2.62435167e-09] [-8.42894441e-09 2.94447248e-09 2.62435167e-09] [ 8.42894441e-09 -2.94447248e-09 2.62435167e-09] [-1.33450333e-09 -2.15654032e-09 -5.39043827e-09] [ 1.33450333e-09 2.15654032e-09 -5.39043827e-09] [ 2.15654032e-09 -1.33450333e-09 -5.39043827e-09] [-2.15654032e-09 1.33450333e-09 -5.39043827e-09] [ 1.33450333e-09 2.15654032e-09 5.39043827e-09] [-1.33450333e-09 -2.15654032e-09 5.39043827e-09] [-2.15654032e-09 1.33450333e-09 5.39043827e-09] [ 2.15654032e-09 -1.33450333e-09 5.39043827e-09] [-1.33450333e-09 -2.15654032e-09 -5.39043827e-09] [ 1.33450333e-09 2.15654032e-09 -5.39043827e-09] [ 2.15654032e-09 -1.33450333e-09 -5.39043827e-09] [-2.15654032e-09 1.33450333e-09 -5.39043827e-09] [ 1.33450333e-09 2.15654032e-09 5.39043827e-09] [-1.33450333e-09 -2.15654032e-09 5.39043827e-09] [-2.15654032e-09 1.33450333e-09 5.39043827e-09] [ 2.15654032e-09 -1.33450333e-09 5.39043827e-09] [ 3.29352274e-10 4.26259014e-09 -1.27326018e-09] [-3.29352274e-10 -4.26259014e-09 -1.27326018e-09] [-4.26259014e-09 3.29352274e-10 -1.27326018e-09] [ 4.26259014e-09 -3.29352274e-10 -1.27326018e-09] [-3.29352274e-10 -4.26259014e-09 1.27326018e-09] [ 3.29352274e-10 4.26259014e-09 1.27326018e-09] [ 4.26259014e-09 -3.29352274e-10 1.27326018e-09] [-4.26259014e-09 3.29352274e-10 1.27326018e-09] [ 3.29352274e-10 4.26259014e-09 -1.27326018e-09] [-3.29352274e-10 -4.26259014e-09 -1.27326018e-09] [-4.26259014e-09 3.29352274e-10 -1.27326018e-09] [ 4.26259014e-09 -3.29352274e-10 -1.27326018e-09] [-3.29352274e-10 -4.26259014e-09 1.27326018e-09] [ 3.29352274e-10 4.26259014e-09 1.27326018e-09] [ 4.26259014e-09 -3.29352274e-10 1.27326018e-09] [-4.26259014e-09 3.29352274e-10 1.27326018e-09]] stress = [-5.14544057e-11 -5.14544057e-11 4.83391668e-12 -4.36896827e-30 1.11765296e-47 -2.74311312e-46] energy per atom = -3.9354594236196565 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0