element(s): ['Mg', 'Sn'] AFLOW prototype label: A9B5_hR28_146_6b_4a2b Parameter names: ['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['13.346083', '1.0095915', '0.35183049', '0.61209688', '0.11238031', '0.84986209', '0.91790387', '0.32505836', '0.0044670409', '0.072800302', '0.6812043', '0.99387127', '0.66620774', '0.5958848', '0.97124911', '0.32129492', '0.39558636', '0.020367536', '0.6527856', '0.74380218', '0.33673348', '0.34242458', '0.25611418', '0.65141272', '0.91093472', '0.58389237', '0.24925698', '0.081782045', '0.40933063', '0.74846514'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn'] representative atom coordinates = [[0.50209411 0.41134272 0.41580976] [0.49017501 0.58875402 0.58262529] [0.92176052 0.77319811 0.74444722] [0.07554532 0.22538207 0.24574961] [0.07501185 0.24104027 0.57777375] [0.92577409 0.76523777 0.41665049] [0. 0. 0.35183049] [0. 0. 0.61209688] [0. 0. 0.11238031] [0. 0. 0.84986209] [0.32957336 0.33210438 0.58136136] [0.66858944 0.66472747 0.4131926 ]] spacegroup = 146 cell = [[13.3461, 0, 0], [-6.67305, 11.558061641447, 0], [0, 0, 13.4741]] ========================================= Step Time Energy fmax BFGS: 0 07:06:14 -144.086293 2.793294 BFGS: 1 07:06:15 -144.450415 2.791924 BFGS: 2 07:06:15 -144.927926 2.788740 BFGS: 3 07:06:16 -145.430043 2.782759 BFGS: 4 07:06:17 -145.957041 2.772485 BFGS: 5 07:06:17 -146.505999 2.756826 BFGS: 6 07:06:18 -147.069056 2.734128 BFGS: 7 07:06:19 -147.628703 2.703124 BFGS: 8 07:06:19 -148.167410 2.663274 BFGS: 9 07:06:20 -148.668754 2.615655 BFGS: 10 07:06:21 -149.123464 2.563038 BFGS: 11 07:06:21 -149.532609 2.509315 BFGS: 12 07:06:22 -149.905281 2.458025 BFGS: 13 07:06:23 -150.253191 2.411334 BFGS: 14 07:06:23 -150.586417 2.370035 BFGS: 15 07:06:24 -150.911990 2.334038 BFGS: 16 07:06:25 -151.234234 2.330615 BFGS: 17 07:06:26 -151.555622 2.331986 BFGS: 18 07:06:26 -151.877465 2.333139 BFGS: 19 07:06:27 -152.200389 2.334208 BFGS: 20 07:06:28 -152.524709 2.335395 BFGS: 21 07:06:29 -152.850505 2.336345 BFGS: 22 07:06:29 -153.177785 2.337393 BFGS: 23 07:06:30 -153.506442 2.338227 BFGS: 24 07:06:31 -153.836397 2.339025 BFGS: 25 07:06:31 -154.167548 2.339728 BFGS: 26 07:06:32 -154.499793 2.340362 BFGS: 27 07:06:33 -154.833041 2.340952 BFGS: 28 07:06:33 -155.167199 2.341469 BFGS: 29 07:06:34 -155.502169 2.341892 BFGS: 30 07:06:35 -155.837885 2.342261 BFGS: 31 07:06:36 -156.174279 2.342903 BFGS: 32 07:06:37 -156.511348 2.343149 BFGS: 33 07:06:38 -156.848931 2.343263 BFGS: 34 07:06:38 -157.186997 2.343298 BFGS: 35 07:06:40 -157.525496 2.343255 BFGS: 36 07:06:41 -157.864383 2.343134 BFGS: 37 07:06:41 -158.203626 2.343066 BFGS: 38 07:06:42 -158.543188 2.342819 BFGS: 39 07:06:43 -158.883017 2.363575 BFGS: 40 07:06:43 -159.223096 2.397182 BFGS: 41 07:06:44 -159.563379 2.429679 BFGS: 42 07:06:45 -159.903857 2.461119 BFGS: 43 07:06:46 -160.244492 2.491626 BFGS: 44 07:06:47 -160.585281 2.521252 BFGS: 45 07:06:48 -160.926195 2.550062 BFGS: 46 07:06:49 -161.267212 2.578133 BFGS: 47 07:06:50 -161.608344 2.605523 BFGS: 48 07:06:51 -161.949564 2.632362 BFGS: 49 07:06:51 -162.290862 2.658592 BFGS: 50 07:06:52 -162.632215 2.684283 BFGS: 51 07:06:53 -162.973590 2.709526 BFGS: 52 07:06:53 -163.314985 2.734279 BFGS: 53 07:06:54 -163.656399 2.758590 BFGS: 54 07:06:55 -163.997833 2.782484 BFGS: 55 07:06:55 -164.339271 2.806049 BFGS: 56 07:06:56 -164.680698 2.829279 BFGS: 57 07:06:56 -165.022099 2.852154 BFGS: 58 07:06:57 -165.363465 2.874703 BFGS: 59 07:06:58 -165.704792 2.896945 BFGS: 60 07:06:58 -166.046071 2.918901 BFGS: 61 07:06:59 -166.387303 2.940581 BFGS: 62 07:07:00 -166.728522 2.961986 BFGS: 63 07:07:01 -167.069669 2.983158 BFGS: 64 07:07:02 -167.410745 3.004076 BFGS: 65 07:07:02 -167.751748 3.025292 BFGS: 66 07:07:03 -168.092661 3.045614 BFGS: 67 07:07:04 -168.433507 3.066212 BFGS: 68 07:07:04 -168.774259 3.086356 BFGS: 69 07:07:05 -169.114905 3.106200 BFGS: 70 07:07:05 -169.455436 3.125874 BFGS: 71 07:07:06 -169.795839 3.145267 BFGS: 72 07:07:06 -170.136105 3.164423 BFGS: 73 07:07:07 -170.476227 3.183357 BFGS: 74 07:07:08 -170.816195 3.202079 BFGS: 75 07:07:08 -171.156000 3.220584 BFGS: 76 07:07:09 -171.495634 3.238873 BFGS: 77 07:07:10 -171.835091 3.256947 BFGS: 78 07:07:11 -172.174358 3.274807 BFGS: 79 07:07:12 -172.513443 3.292449 BFGS: 80 07:07:13 -172.852411 3.311400 BFGS: 81 07:07:13 -173.191217 3.328454 BFGS: 82 07:07:14 -173.529790 3.345419 BFGS: 83 07:07:15 -173.868122 3.362197 BFGS: 84 07:07:16 -174.206218 3.379220 BFGS: 85 07:07:17 -174.544071 3.396516 BFGS: 86 07:07:18 -174.881651 3.415824 BFGS: 87 07:07:19 -175.218945 3.434811 BFGS: 88 07:07:20 -175.555953 3.453492 BFGS: 89 07:07:21 -175.892650 3.471845 BFGS: 90 07:07:22 -176.229063 3.489862 BFGS: 91 07:07:23 -176.565167 3.507938 BFGS: 92 07:07:25 -176.900923 3.525465 BFGS: 93 07:07:26 -177.236317 3.542541 BFGS: 94 07:07:27 -177.571344 3.559183 BFGS: 95 07:07:27 -177.905973 3.575498 BFGS: 96 07:07:28 -178.240190 3.591464 BFGS: 97 07:07:29 -178.573977 3.607072 BFGS: 98 07:07:30 -178.907328 3.622315 BFGS: 99 07:07:31 -179.240229 3.637663 BFGS: 100 07:07:32 -179.572655 3.652138 BFGS: 101 07:07:33 -179.904601 3.666265 BFGS: 102 07:07:34 -180.236066 3.679680 BFGS: 103 07:07:35 -180.567038 3.693133 BFGS: 104 07:07:36 -180.897471 3.706113 BFGS: 105 07:07:38 -181.227346 3.718738 BFGS: 106 07:07:39 -181.556657 3.730969 BFGS: 107 07:07:40 -181.885378 3.742885 BFGS: 108 07:07:41 -182.213506 3.754250 BFGS: 109 07:07:42 -182.540995 3.765726 BFGS: 110 07:07:43 -182.867842 3.775905 BFGS: 111 07:07:44 -183.193996 3.786242 BFGS: 112 07:07:45 -183.519464 3.797130 BFGS: 113 07:07:46 -183.844230 3.806166 BFGS: 114 07:07:46 -184.168256 3.815142 BFGS: 115 07:07:48 -184.491525 3.823707 BFGS: 116 07:07:49 -184.814003 3.831850 BFGS: 117 07:07:50 -185.135675 3.839569 BFGS: 118 07:07:50 -185.456525 3.846847 BFGS: 119 07:07:51 -185.776532 3.853686 BFGS: 120 07:07:52 -186.095660 3.860729 BFGS: 121 07:07:53 -186.413887 3.866880 BFGS: 122 07:07:54 -186.731264 3.872433 BFGS: 123 07:07:55 -187.047694 3.874888 BFGS: 124 07:07:56 -187.363103 3.878354 BFGS: 125 07:07:58 -187.677544 3.882968 BFGS: 126 07:07:59 -187.990968 3.886907 BFGS: 127 07:08:00 -188.303391 3.890391 BFGS: 128 07:08:01 -188.614760 3.893009 BFGS: 129 07:08:01 -188.925042 3.894606 BFGS: 130 07:08:02 -189.234183 3.896212 BFGS: 131 07:08:03 -189.542158 3.897584 BFGS: 132 07:08:03 -189.849011 3.898567 BFGS: 133 07:08:06 -190.154629 3.898767 BFGS: 134 07:08:07 -190.459026 3.898712 BFGS: 135 07:08:08 -190.762137 3.898536 BFGS: 136 07:08:09 -191.063980 3.897257 BFGS: 137 07:08:10 -191.364498 3.895949 BFGS: 138 07:08:11 -191.663687 3.894275 BFGS: 139 07:08:12 -191.961529 3.891890 BFGS: 140 07:08:13 -192.258003 3.888953 BFGS: 141 07:08:13 -192.553129 3.885540 BFGS: 142 07:08:14 -192.846735 3.882045 BFGS: 143 07:08:15 -193.138894 3.877775 BFGS: 144 07:08:16 -193.429554 3.872908 BFGS: 145 07:08:16 -193.718688 3.867514 BFGS: 146 07:08:17 -194.006279 3.861598 BFGS: 147 07:08:18 -194.292328 3.855051 BFGS: 148 07:08:19 -194.576755 3.847997 BFGS: 149 07:08:19 -194.859565 3.840533 BFGS: 150 07:08:20 -195.140718 3.832646 BFGS: 151 07:08:21 -195.420225 3.824208 BFGS: 152 07:08:22 -195.698026 3.815315 BFGS: 153 07:08:22 -195.974104 3.805910 BFGS: 154 07:08:23 -196.248447 3.796016 BFGS: 155 07:08:24 -196.521058 3.788433 BFGS: 156 07:08:24 -196.791898 3.777273 BFGS: 157 07:08:25 -197.060951 3.765782 BFGS: 158 07:08:26 -197.328216 3.753883 BFGS: 159 07:08:26 -197.593672 3.741512 BFGS: 160 07:08:27 -197.857300 3.728683 BFGS: 161 07:08:27 -198.119101 3.715408 BFGS: 162 07:08:28 -198.379060 3.701658 BFGS: 163 07:08:29 -198.637182 3.687458 BFGS: 164 07:08:29 -198.893480 3.672824 BFGS: 165 07:08:30 -199.147966 3.657791 BFGS: 166 07:08:31 -199.400659 3.642287 BFGS: 167 07:08:32 -199.651542 3.626568 BFGS: 168 07:08:32 -199.900673 3.610350 BFGS: 169 07:08:33 -200.148066 3.593711 BFGS: 170 07:08:34 -200.393779 3.576695 BFGS: 171 07:08:35 -200.637885 3.559527 BFGS: 172 07:08:36 -200.880375 3.541935 BFGS: 173 07:08:36 -201.121333 3.523854 BFGS: 174 07:08:37 -201.360794 3.505712 BFGS: 175 07:08:38 -201.598835 3.487286 BFGS: 176 07:08:38 -201.835587 3.468457 BFGS: 177 07:08:39 -202.071051 3.449388 BFGS: 178 07:08:40 -202.305330 3.430155 BFGS: 179 07:08:41 -202.538487 3.410767 BFGS: 180 07:08:42 -202.770621 3.391216 BFGS: 181 07:08:44 -203.001836 3.371506 BFGS: 182 07:08:45 -203.232271 3.351574 BFGS: 183 07:08:46 -203.462003 3.331567 BFGS: 184 07:08:46 -203.691147 3.311525 BFGS: 185 07:08:47 -203.919781 3.291598 BFGS: 186 07:08:48 -204.148049 3.268657 BFGS: 187 07:08:48 -204.375975 3.248816 BFGS: 188 07:08:49 -204.603755 3.228724 BFGS: 189 07:08:50 -204.831489 3.208443 BFGS: 190 07:08:51 -205.059280 3.188161 BFGS: 191 07:08:52 -205.287261 3.167842 BFGS: 192 07:08:52 -205.515529 3.147596 BFGS: 193 07:08:53 -205.744205 3.127142 BFGS: 194 07:08:53 -205.973389 3.106856 BFGS: 195 07:08:54 -206.203180 3.086540 BFGS: 196 07:08:54 -206.433671 3.066214 BFGS: 197 07:08:56 -206.664954 3.045907 BFGS: 198 07:08:56 -206.897090 3.025573 BFGS: 199 07:08:58 -207.130135 3.005229 BFGS: 200 07:08:58 -207.364157 2.984871 BFGS: 201 07:08:59 -207.599161 2.965039 BFGS: 202 07:09:00 -207.835147 2.944892 BFGS: 203 07:09:01 -208.072161 2.923817 BFGS: 204 07:09:02 -208.310027 2.903417 BFGS: 205 07:09:03 -208.548726 2.882872 BFGS: 206 07:09:04 -208.788180 2.862179 BFGS: 207 07:09:05 -209.028293 2.841333 BFGS: 208 07:09:06 -209.268988 2.820321 BFGS: 209 07:09:07 -209.509068 2.799154 BFGS: 210 07:09:08 -209.748042 2.777598 BFGS: 211 07:09:09 -209.985360 2.755460 BFGS: 212 07:09:09 -210.220573 2.732709 BFGS: 213 07:09:10 -210.453007 2.709023 BFGS: 214 07:09:11 -210.682019 2.684840 BFGS: 215 07:09:12 -210.907020 2.659875 BFGS: 216 07:09:13 -211.127484 2.634146 BFGS: 217 07:09:13 -211.342931 2.607378 BFGS: 218 07:09:14 -211.552945 2.580267 BFGS: 219 07:09:15 -211.757224 2.552398 BFGS: 220 07:09:16 -211.955582 2.523791 BFGS: 221 07:09:16 -212.147960 2.494530 BFGS: 222 07:09:17 -212.334515 2.464666 BFGS: 223 07:09:18 -212.515456 2.436382 BFGS: 224 07:09:18 -212.691101 2.405425 BFGS: 225 07:09:19 -212.862136 2.374025 BFGS: 226 07:09:20 -213.028962 2.342520 BFGS: 227 07:09:21 -213.192558 2.310509 BFGS: 228 07:09:21 -213.353592 2.278094 BFGS: 229 07:09:22 -213.512483 2.245325 BFGS: 230 07:09:23 -213.669989 2.212242 BFGS: 231 07:09:24 -213.826497 2.178842 BFGS: 232 07:09:25 -213.982488 2.145090 BFGS: 233 07:09:25 -214.138199 2.110946 BFGS: 234 07:09:26 -214.293914 2.076219 BFGS: 235 07:09:27 -214.450032 2.041035 BFGS: 236 07:09:27 -214.606869 2.005284 BFGS: 237 07:09:28 -214.764351 1.968575 BFGS: 238 07:09:28 -214.923065 1.931181 BFGS: 239 07:09:29 -215.083490 1.892928 BFGS: 240 07:09:29 -215.244881 1.853749 BFGS: 241 07:09:30 -215.408462 1.813602 BFGS: 242 07:09:30 -215.574200 1.771811 BFGS: 243 07:09:31 -215.742868 1.728638 BFGS: 244 07:09:32 -215.914529 1.683868 BFGS: 245 07:09:32 -216.089787 1.637895 BFGS: 246 07:09:33 -216.268844 1.589794 BFGS: 247 07:09:33 -216.452084 1.539981 BFGS: 248 07:09:34 -216.638456 1.488081 BFGS: 249 07:09:36 -216.829498 1.434434 BFGS: 250 07:09:37 -217.025114 1.378979 BFGS: 251 07:09:37 -217.225343 1.321641 BFGS: 252 07:09:38 -217.428894 1.262394 BFGS: 253 07:09:39 -217.636810 1.201365 BFGS: 254 07:09:40 -217.848523 1.138651 BFGS: 255 07:09:40 -218.064401 1.077113 BFGS: 256 07:09:41 -218.284187 1.108172 BFGS: 257 07:09:42 -218.507832 1.138246 BFGS: 258 07:09:42 -218.734230 1.168983 BFGS: 259 07:09:43 -218.964107 1.198674 BFGS: 260 07:09:44 -219.196867 1.228669 BFGS: 261 07:09:44 -219.432376 1.258096 BFGS: 262 07:09:45 -219.670156 1.288719 BFGS: 263 07:09:45 -219.910821 1.319056 BFGS: 264 07:09:46 -220.154129 1.349392 BFGS: 265 07:09:46 -220.399500 1.380058 BFGS: 266 07:09:47 -220.647377 1.410101 BFGS: 267 07:09:48 -220.897369 1.441057 BFGS: 268 07:09:49 -221.149368 1.471480 BFGS: 269 07:09:50 -221.403199 1.502155 BFGS: 270 07:09:51 -221.658633 1.533685 BFGS: 271 07:09:53 -221.915933 1.564865 BFGS: 272 07:09:54 -222.174783 1.597066 BFGS: 273 07:09:55 -222.435334 1.629577 BFGS: 274 07:09:57 -222.697420 1.662585 BFGS: 275 07:09:58 -222.961014 1.695494 BFGS: 276 07:09:59 -223.225879 1.729115 BFGS: 277 07:09:59 -223.491937 1.763263 BFGS: 278 07:10:00 -223.759215 1.797164 BFGS: 279 07:10:01 -224.027528 1.831782 BFGS: 280 07:10:02 -224.296681 1.867142 BFGS: 281 07:10:03 -224.566576 1.902792 BFGS: 282 07:10:03 -224.837484 1.936497 BFGS: 283 07:10:04 -225.107671 1.974149 BFGS: 284 07:10:05 -225.379400 2.010799 BFGS: 285 07:10:06 -225.651858 2.050360 BFGS: 286 07:10:07 -225.925464 2.092440 BFGS: 287 07:10:08 -226.200244 2.134055 BFGS: 288 07:10:08 -226.476161 2.176074 BFGS: 289 07:10:09 -226.753289 2.217789 BFGS: 290 07:10:09 -227.031654 2.257879 BFGS: 291 07:10:10 -227.310735 2.321297 BFGS: 292 07:10:12 -227.591018 2.391326 BFGS: 293 07:10:13 -227.872340 2.461850 BFGS: 294 07:10:14 -228.154778 2.535016 BFGS: 295 07:10:15 -228.438202 2.610295 BFGS: 296 07:10:16 -228.722659 2.687933 BFGS: 297 07:10:17 -229.008132 2.767675 BFGS: 298 07:10:18 -229.294484 2.849490 BFGS: 299 07:10:19 -229.581860 2.933554 BFGS: 300 07:10:20 -229.869894 3.019779 BFGS: 301 07:10:21 -230.158963 3.107589 BFGS: 302 07:10:22 -230.448956 3.198044 BFGS: 303 07:10:22 -230.739712 3.290380 BFGS: 304 07:10:23 -231.031448 3.384668 BFGS: 305 07:10:24 -231.324184 3.480910 BFGS: 306 07:10:25 -231.618045 3.579059 BFGS: 307 07:10:26 -231.912975 3.678889 BFGS: 308 07:10:27 -232.209242 3.780411 BFGS: 309 07:10:28 -232.506946 3.883433 BFGS: 310 07:10:29 -232.806326 3.988441 BFGS: 311 07:10:31 -233.107426 4.093357 BFGS: 312 07:10:31 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-298.864732 0.002974 BFGS: 9942 09:04:26 -298.864732 0.002974 BFGS: 9943 09:04:26 -298.864732 0.002974 BFGS: 9944 09:04:26 -298.864732 0.002974 BFGS: 9945 09:04:26 -298.864732 0.002974 BFGS: 9946 09:04:27 -298.864732 0.002974 BFGS: 9947 09:04:27 -298.864732 0.002974 BFGS: 9948 09:04:27 -298.864732 0.002974 BFGS: 9949 09:04:27 -298.864732 0.002974 BFGS: 9950 09:04:27 -298.864732 0.002974 BFGS: 9951 09:04:28 -298.864732 0.002974 BFGS: 9952 09:04:28 -298.864732 0.002974 BFGS: 9953 09:04:29 -298.864732 0.002974 BFGS: 9954 09:04:30 -298.864732 0.002974 BFGS: 9955 09:04:31 -298.864732 0.002974 BFGS: 9956 09:04:31 -298.864732 0.002974 BFGS: 9957 09:04:32 -298.864732 0.002974 BFGS: 9958 09:04:32 -298.864732 0.002974 BFGS: 9959 09:04:33 -298.864732 0.002974 BFGS: 9960 09:04:34 -298.864732 0.002974 BFGS: 9961 09:04:34 -298.864732 0.002974 BFGS: 9962 09:04:34 -298.864732 0.002974 BFGS: 9963 09:04:34 -298.864732 0.002974 BFGS: 9964 09:04:34 -298.864732 0.002974 BFGS: 9965 09:04:35 -298.864732 0.002974 BFGS: 9966 09:04:36 -298.864732 0.002974 BFGS: 9967 09:04:36 -298.864732 0.002974 BFGS: 9968 09:04:37 -298.864732 0.002974 BFGS: 9969 09:04:37 -298.864732 0.002974 BFGS: 9970 09:04:37 -298.864732 0.002974 BFGS: 9971 09:04:38 -298.864732 0.002974 BFGS: 9972 09:04:38 -298.864732 0.002974 BFGS: 9973 09:04:38 -298.864732 0.002974 BFGS: 9974 09:04:38 -298.864732 0.002974 BFGS: 9975 09:04:39 -298.864732 0.002974 BFGS: 9976 09:04:39 -298.864732 0.002974 BFGS: 9977 09:04:40 -298.864732 0.002974 BFGS: 9978 09:04:40 -298.864732 0.002974 BFGS: 9979 09:04:41 -298.864732 0.002974 BFGS: 9980 09:04:41 -298.864732 0.002974 BFGS: 9981 09:04:42 -298.864732 0.002974 BFGS: 9982 09:04:42 -298.864732 0.002974 BFGS: 9983 09:04:43 -298.864732 0.002974 BFGS: 9984 09:04:43 -298.864732 0.002974 BFGS: 9985 09:04:44 -298.864732 0.002974 BFGS: 9986 09:04:45 -298.864732 0.002974 BFGS: 9987 09:04:45 -298.864732 0.002974 BFGS: 9988 09:04:46 -298.864732 0.002974 BFGS: 9989 09:04:47 -298.864732 0.002974 BFGS: 9990 09:04:48 -298.864732 0.002974 BFGS: 9991 09:04:48 -298.864732 0.002974 BFGS: 9992 09:04:49 -298.864732 0.002974 BFGS: 9993 09:04:50 -298.864732 0.002974 BFGS: 9994 09:04:50 -298.864732 0.002974 BFGS: 9995 09:04:51 -298.864732 0.002974 BFGS: 9996 09:04:51 -298.864732 0.002974 BFGS: 9997 09:04:51 -298.864732 0.002974 BFGS: 9998 09:04:52 -298.864732 0.002974 BFGS: 9999 09:04:52 -298.864732 0.002974 BFGS: 10000 09:04:53 -298.864732 0.002974 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.0037606740652463702 eV/Angstrom Maximum stress component: 9.147485893756622e-06 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['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', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn'] basis = [[4.88414299e-01 3.97268357e-01 2.97498319e-01] [6.02731643e-01 9.11459419e-02 2.97498319e-01] [9.08854058e-01 5.11585701e-01 2.97498319e-01] [1.55080966e-01 7.30601691e-01 6.30831653e-01] [2.69398309e-01 4.24479275e-01 6.30831653e-01] [5.75520725e-01 8.44919034e-01 6.30831653e-01] [8.21747633e-01 6.39350240e-02 9.64164986e-01] [9.36064976e-01 7.57812609e-01 9.64164986e-01] [2.42187391e-01 1.78252367e-01 9.64164986e-01] [5.11590565e-01 6.02734466e-01 6.92439518e-01] [3.97265534e-01 9.08856100e-01 6.92439518e-01] [9.11439003e-02 4.88409435e-01 6.92439518e-01] [1.78257232e-01 9.36067799e-01 2.57728514e-02] [6.39322011e-02 2.42189433e-01 2.57728514e-02] [7.57810567e-01 8.21742768e-01 2.57728514e-02] [8.44923899e-01 2.69401132e-01 3.59106185e-01] [7.30598868e-01 5.75522766e-01 3.59106185e-01] [4.24477234e-01 1.55076101e-01 3.59106185e-01] [9.49256462e-01 7.38253221e-01 7.19471644e-01] [2.61746779e-01 2.11003242e-01 7.19471644e-01] [7.88996758e-01 5.07435377e-02 7.19471644e-01] [6.15923129e-01 7.15865541e-02 5.28049777e-02] [9.28413446e-01 5.44336575e-01 5.28049777e-02] [4.55663425e-01 3.84076871e-01 5.28049777e-02] [2.82589796e-01 4.04919887e-01 3.86138311e-01] [5.95080113e-01 8.77669908e-01 3.86138311e-01] [1.22330092e-01 7.17410204e-01 3.86138311e-01] [5.07544381e-02 2.61752305e-01 2.70450768e-01] [7.38247695e-01 7.89002133e-01 2.70450768e-01] [2.10997867e-01 9.49245562e-01 2.70450768e-01] [7.17421105e-01 5.95085638e-01 6.03784101e-01] [4.04914362e-01 1.22335466e-01 6.03784101e-01] [8.77664534e-01 2.82578895e-01 6.03784101e-01] [3.84087771e-01 9.28418972e-01 9.37117435e-01] [7.15810282e-02 4.55668800e-01 9.37117435e-01] [5.44331200e-01 6.15912229e-01 9.37117435e-01] [6.29548779e-02 2.39167919e-01 5.10916459e-01] [7.60832081e-01 8.23786959e-01 5.10916459e-01] [1.76213041e-01 9.37045122e-01 5.10916459e-01] [7.29621545e-01 5.72501253e-01 8.44249793e-01] [4.27498747e-01 1.57120292e-01 8.44249793e-01] [8.42879708e-01 2.70378455e-01 8.44249793e-01] [3.96288211e-01 9.05834586e-01 1.77583126e-01] [9.41654140e-02 4.90453625e-01 1.77583126e-01] [5.09546375e-01 6.03711789e-01 1.77583126e-01] [9.37045726e-01 7.60824412e-01 4.79007547e-01] [2.39175588e-01 1.76221314e-01 4.79007547e-01] [8.23778686e-01 6.29542742e-02 4.79007547e-01] [6.03712392e-01 9.41577448e-02 8.12340881e-01] [9.05842255e-01 5.09554648e-01 8.12340881e-01] [4.90445352e-01 3.96287608e-01 8.12340881e-01] [2.70379059e-01 4.27491078e-01 1.45674214e-01] [5.72508922e-01 8.42887981e-01 1.45674214e-01] [1.57112019e-01 7.29620941e-01 1.45674214e-01] [6.14020260e-17 1.00000000e+00 3.67028873e-01] [6.66666667e-01 3.33333333e-01 7.00362206e-01] [3.33333333e-01 6.66666667e-01 3.36955392e-02] [6.14020260e-17 1.00000000e+00 6.22899848e-01] [6.66666667e-01 3.33333333e-01 9.56233181e-01] [3.33333333e-01 6.66666667e-01 2.89566514e-01] [6.14020260e-17 1.00000000e+00 1.18298466e-01] [6.66666667e-01 3.33333333e-01 4.51631799e-01] [3.33333333e-01 6.66666667e-01 7.84965133e-01] [6.14020260e-17 1.00000000e+00 8.71629179e-01] [6.66666667e-01 3.33333333e-01 2.04962512e-01] [3.33333333e-01 6.66666667e-01 5.38295846e-01] [4.75050087e-01 3.81790815e-01 5.58478541e-01] [6.18209185e-01 9.32592720e-02 5.58478541e-01] [9.06740728e-01 5.24949913e-01 5.58478541e-01] [1.41716754e-01 7.15124149e-01 8.91811874e-01] [2.84875851e-01 4.26592605e-01 8.91811874e-01] [5.73407395e-01 8.58283246e-01 8.91811874e-01] [8.08383421e-01 4.84574820e-02 2.25145208e-01] [9.51542518e-01 7.59925939e-01 2.25145208e-01] [2.40074061e-01 1.91616579e-01 2.25145208e-01] [5.24956717e-01 6.18221651e-01 4.31450536e-01] [3.81778349e-01 9.06735066e-01 4.31450536e-01] [9.32649340e-02 4.75043283e-01 4.31450536e-01] [1.91623384e-01 9.51554985e-01 7.64783869e-01] [4.84450154e-02 2.40068399e-01 7.64783869e-01] [7.59931601e-01 8.08376616e-01 7.64783869e-01] [8.58290051e-01 2.84888318e-01 9.81172024e-02] [7.15111682e-01 5.73401733e-01 9.81172024e-02] [4.26598267e-01 1.41709949e-01 9.81172024e-02]] cellpar = Cell([[11.222017247903553, -2.520694322090611e-07, -5.978054979992407e-40], [-5.611008405653225, 9.71855214442636, 3.3455988201674264e-37], [-4.525118623637367e-40, -7.730682820048209e-38, 10.65487958565469]]) forces = [[-5.46223987e-04 7.87778079e-05 -4.40448494e-04] [ 2.04888410e-04 -5.12432753e-04 -4.40448494e-04] [ 3.41335576e-04 4.33654945e-04 -4.40448494e-04] [-5.46223987e-04 7.87778079e-05 -4.40448494e-04] [ 2.04888410e-04 -5.12432753e-04 -4.40448494e-04] [ 3.41335576e-04 4.33654945e-04 -4.40448494e-04] [-5.46223987e-04 7.87778079e-05 -4.40448494e-04] [ 2.04888410e-04 -5.12432753e-04 -4.40448494e-04] [ 3.41335576e-04 4.33654945e-04 -4.40448494e-04] [ 4.78235021e-04 -3.69852452e-04 -7.60193734e-04] [ 8.11841087e-05 5.99089903e-04 -7.60193734e-04] [-5.59419129e-04 -2.29237451e-04 -7.60193734e-04] [ 4.78235021e-04 -3.69852452e-04 -7.60193734e-04] [ 8.11841087e-05 5.99089903e-04 -7.60193734e-04] [-5.59419129e-04 -2.29237451e-04 -7.60193734e-04] [ 4.78235021e-04 -3.69852452e-04 -7.60193734e-04] [ 8.11841087e-05 5.99089903e-04 -7.60193734e-04] [-5.59419129e-04 -2.29237451e-04 -7.60193734e-04] [ 7.12507944e-04 2.40468140e-04 8.24254646e-04] [-5.64505490e-04 4.96815910e-04 8.24254646e-04] [-1.48002454e-04 -7.37284050e-04 8.24254646e-04] [ 7.12507944e-04 2.40468140e-04 8.24254646e-04] [-5.64505490e-04 4.96815910e-04 8.24254646e-04] [-1.48002454e-04 -7.37284050e-04 8.24254646e-04] [ 7.12507944e-04 2.40468140e-04 8.24254646e-04] [-5.64505490e-04 4.96815910e-04 8.24254646e-04] [-1.48002454e-04 -7.37284050e-04 8.24254646e-04] [-1.00944400e-03 -3.46527174e-04 -1.54660151e-04] [ 8.04823334e-04 -7.00940559e-04 -1.54660151e-04] [ 2.04620664e-04 1.04746773e-03 -1.54660151e-04] [-1.00944400e-03 -3.46527174e-04 -1.54660151e-04] [ 8.04823334e-04 -7.00940559e-04 -1.54660151e-04] [ 2.04620664e-04 1.04746773e-03 -1.54660151e-04] [-1.00944400e-03 -3.46527174e-04 -1.54660151e-04] [ 8.04823334e-04 -7.00940559e-04 -1.54660151e-04] [ 2.04620664e-04 1.04746773e-03 -1.54660151e-04] [-2.69610791e-04 3.31650624e-04 4.59013395e-04] [-1.52412470e-04 -3.99315106e-04 4.59013395e-04] [ 4.22023261e-04 6.76644819e-05 4.59013395e-04] [-2.69610791e-04 3.31650624e-04 4.59013395e-04] [-1.52412470e-04 -3.99315106e-04 4.59013395e-04] [ 4.22023261e-04 6.76644819e-05 4.59013395e-04] [-2.69610791e-04 3.31650624e-04 4.59013395e-04] [-1.52412470e-04 -3.99315106e-04 4.59013395e-04] [ 4.22023261e-04 6.76644819e-05 4.59013395e-04] [-1.46983300e-04 6.88542400e-05 -7.75554232e-05] [ 1.38621291e-05 -1.61718392e-04 -7.75554232e-05] [ 1.33121171e-04 9.28641518e-05 -7.75554232e-05] [-1.46983300e-04 6.88542400e-05 -7.75554232e-05] [ 1.38621291e-05 -1.61718392e-04 -7.75554232e-05] [ 1.33121171e-04 9.28641518e-05 -7.75554232e-05] [-1.46983300e-04 6.88542400e-05 -7.75554232e-05] [ 1.38621291e-05 -1.61718392e-04 -7.75554232e-05] [ 1.33121171e-04 9.28641518e-05 -7.75554232e-05] [ 1.59715519e-43 2.72856940e-41 -3.76067407e-03] [ 1.59715519e-43 2.72856940e-41 -3.76067407e-03] [ 1.59715519e-43 2.72856940e-41 -3.76067407e-03] [-1.39815394e-43 -2.38859697e-41 3.29210416e-03] [ 3.14759479e-29 -5.45179438e-29 3.29210416e-03] [-1.39815394e-43 -2.38859697e-41 3.29210416e-03] [-2.51807583e-28 4.36143550e-28 3.42779173e-03] [-1.45578034e-43 -2.48704553e-41 3.42779173e-03] [-2.51807583e-28 4.36143550e-28 3.42779173e-03] [ 8.54379336e-44 1.45961602e-41 -2.01172825e-03] [ 8.54379336e-44 1.45961602e-41 -2.01172825e-03] [ 8.54379336e-44 1.45961602e-41 -2.01172825e-03] [ 2.08062165e-04 -7.92783800e-04 2.32547711e-04] [ 5.82539828e-04 5.76579020e-04 2.32547711e-04] [-7.90601993e-04 2.16204780e-04 2.32547711e-04] [ 2.08062165e-04 -7.92783800e-04 2.32547711e-04] [ 5.82539828e-04 5.76579020e-04 2.32547711e-04] [-7.90601993e-04 2.16204780e-04 2.32547711e-04] [ 2.08062165e-04 -7.92783800e-04 2.32547711e-04] [ 5.82539828e-04 5.76579020e-04 2.32547711e-04] [-7.90601993e-04 2.16204780e-04 2.32547711e-04] [-2.76318217e-04 -5.98380441e-05 -3.98789144e-04] [ 1.89980375e-04 -2.09379574e-04 -3.98789144e-04] [ 8.63378425e-05 2.69217618e-04 -3.98789144e-04] [-2.76318217e-04 -5.98380441e-05 -3.98789144e-04] [ 1.89980375e-04 -2.09379574e-04 -3.98789144e-04] [ 8.63378425e-05 2.69217618e-04 -3.98789144e-04] [-2.76318217e-04 -5.98380441e-05 -3.98789144e-04] [ 1.89980375e-04 -2.09379574e-04 -3.98789144e-04] [ 8.63378425e-05 2.69217618e-04 -3.98789144e-04]] stress = [-4.06789940e-06 -4.06789940e-06 9.14748589e-06 2.97628223e-44 1.29836341e-43 9.12442907e-21] energy per atom = -3.5579134723173604 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A9B5_hR28_146_6b_4a2b, while relaxed is A9B5_hR28_148_3f_2cf. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.