element(s): ['Si'] AFLOW prototype label: A_tP106_137_a5g4h Parameter names: ['a', 'c/a', 'y2', 'z2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.1614', '2.3850257', '0.93992864', '0.19609985', '0.87847441', '0.10226691', '0.13030281', '0.77487209', '0.98453855', '0.85341975', '0.13332475', '0.92680675', '0.43292986', '0.065760748', '0.72131569', '0.45643579', '0.87171028', '0.86152967', '0.57092716', '0.9958931', '0.93303081', '0.43052092', '0.13256247', '0.98508065'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0. 0.18992864 0.94609985] [0. 0.12847441 0.85226691] [0. 0.38030281 0.52487209] [0. 0.23453855 0.60341975] [0. 0.38332475 0.67680675] [0.18292986 0.31576075 0.47131569] [0.20643579 0.12171028 0.61152967] [0.32092716 0.2458931 0.68303081] [0.18052092 0.38256247 0.73508065]] spacegroup = 137 cell = [[10.1614, 0, 0], [0, 10.1614, 0], [0, 0, 24.2352]] ========================================= Step Time Energy fmax BFGS: 0 20:40:40 7358.756934 76.7139 BFGS: 1 20:40:41 7346.694798 76.5597 BFGS: 2 20:40:41 7334.719097 76.4059 BFGS: 3 20:40:41 7322.812136 76.2525 BFGS: 4 20:40:41 7310.964897 76.0996 BFGS: 5 20:40:41 7299.185182 75.9474 BFGS: 6 20:40:41 7287.465685 75.7957 BFGS: 7 20:40:42 7275.800675 75.6446 BFGS: 8 20:40:42 7264.185561 75.4941 BFGS: 9 20:40:42 7252.616602 75.3440 BFGS: 10 20:40:42 7241.090707 75.1945 BFGS: 11 20:40:43 7229.605284 75.0455 BFGS: 12 20:40:43 7218.158061 74.8975 BFGS: 13 20:40:43 7206.747247 74.7498 BFGS: 14 20:40:43 7195.371152 74.6026 BFGS: 15 20:40:43 7184.028372 74.4559 BFGS: 16 20:40:44 7172.717861 74.3095 BFGS: 17 20:40:44 7161.438665 74.1635 BFGS: 18 20:40:44 7150.189721 74.0178 BFGS: 19 20:40:44 7138.970082 73.8725 BFGS: 20 20:40:45 7127.778868 73.7282 BFGS: 21 20:40:45 7116.614726 73.5847 BFGS: 22 20:40:45 7105.476622 73.4415 BFGS: 23 20:40:46 7094.363746 73.2987 BFGS: 24 20:40:46 7083.275448 73.1566 BFGS: 25 20:40:47 7072.210567 73.0149 BFGS: 26 20:40:47 7061.168477 72.8735 BFGS: 27 20:40:48 7050.148683 72.7322 BFGS: 28 20:40:49 7039.150692 72.5914 BFGS: 29 20:40:50 7028.173952 72.4509 BFGS: 30 20:40:50 7017.217988 72.3106 BFGS: 31 20:40:50 7006.282667 72.1707 BFGS: 32 20:40:51 6995.367869 72.0311 BFGS: 33 20:40:51 6984.473018 71.8919 BFGS: 34 20:40:52 6973.597623 71.7531 BFGS: 35 20:40:52 6962.741352 71.6146 BFGS: 36 20:40:53 6951.903711 71.4766 BFGS: 37 20:40:54 6941.084332 71.3389 BFGS: 38 20:40:54 6930.282428 71.2019 BFGS: 39 20:40:55 6919.496884 71.0652 BFGS: 40 20:40:55 6908.727483 70.9288 BFGS: 41 20:40:56 6897.973663 70.7926 BFGS: 42 20:40:57 6887.234779 70.6566 BFGS: 43 20:40:57 6876.510498 70.5209 BFGS: 44 20:40:57 6865.800250 70.3855 BFGS: 45 20:40:58 6855.103282 70.2505 BFGS: 46 20:40:58 6844.418766 70.1160 BFGS: 47 20:40:59 6833.746392 69.9817 BFGS: 48 20:40:59 6823.085402 69.8477 BFGS: 49 20:41:00 6812.435036 69.7141 BFGS: 50 20:41:00 6801.794393 69.5812 BFGS: 51 20:41:01 6791.162695 69.4488 BFGS: 52 20:41:01 6780.539007 69.3172 BFGS: 53 20:41:01 6769.922721 69.1858 BFGS: 54 20:41:01 6759.313092 69.0546 BFGS: 55 20:41:01 6748.709366 68.9237 BFGS: 56 20:41:02 6738.111196 68.7936 BFGS: 57 20:41:02 6727.517466 68.6639 BFGS: 58 20:41:02 6716.927283 68.5345 BFGS: 59 20:41:03 6706.340256 68.4053 BFGS: 60 20:41:03 6695.755872 68.2765 BFGS: 61 20:41:03 6685.173745 68.1479 BFGS: 62 20:41:04 6674.593576 68.0195 BFGS: 63 20:41:04 6664.015215 67.8912 BFGS: 64 20:41:05 6653.438524 67.7633 BFGS: 65 20:41:05 6642.863260 67.6357 BFGS: 66 20:41:05 6632.289501 67.5082 BFGS: 67 20:41:06 6621.718098 67.3809 BFGS: 68 20:41:06 6611.149605 67.2537 BFGS: 69 20:41:06 6600.584236 67.1266 BFGS: 70 20:41:07 6590.022824 66.9997 BFGS: 71 20:41:07 6579.465756 66.8728 BFGS: 72 20:41:08 6568.913306 66.7461 BFGS: 73 20:41:09 6558.365242 66.6196 BFGS: 74 20:41:09 6547.822012 66.4931 BFGS: 75 20:41:10 6537.284543 66.3668 BFGS: 76 20:41:11 6526.753722 66.2405 BFGS: 77 20:41:11 6516.230534 66.1143 BFGS: 78 20:41:11 6505.715998 65.9882 BFGS: 79 20:41:12 6495.210992 65.8632 BFGS: 80 20:41:12 6484.716383 65.7390 BFGS: 81 20:41:13 6474.232807 65.6151 BFGS: 82 20:41:13 6463.760634 65.4912 BFGS: 83 20:41:14 6453.300568 65.3675 BFGS: 84 20:41:15 6442.853132 65.2439 BFGS: 85 20:41:15 6432.419200 65.1201 BFGS: 86 20:41:16 6421.999336 64.9963 BFGS: 87 20:41:16 6411.594240 64.8723 BFGS: 88 20:41:17 6401.204537 64.7484 BFGS: 89 20:41:17 6390.830308 64.6244 BFGS: 90 20:41:18 6380.471774 64.5011 BFGS: 91 20:41:19 6370.128059 64.3788 BFGS: 92 20:41:19 6359.799116 64.2565 BFGS: 93 20:41:19 6349.485374 64.1341 BFGS: 94 20:41:20 6339.186969 64.0121 BFGS: 95 20:41:20 6328.903111 63.8900 BFGS: 96 20:41:21 6318.633813 63.7677 BFGS: 97 20:41:21 6308.379176 63.6453 BFGS: 98 20:41:22 6298.139263 63.5228 BFGS: 99 20:41:22 6287.914166 63.4000 BFGS: 100 20:41:23 6277.703825 63.2770 BFGS: 101 20:41:23 6267.508170 63.1537 BFGS: 102 20:41:23 6257.327162 63.0300 BFGS: 103 20:41:24 6247.160860 62.9061 BFGS: 104 20:41:25 6237.009116 62.7826 BFGS: 105 20:41:25 6226.871104 62.6592 BFGS: 106 20:41:25 6216.746185 62.5384 BFGS: 107 20:41:26 6206.631673 62.4176 BFGS: 108 20:41:28 6196.527418 62.2964 BFGS: 109 20:41:29 6186.433499 62.1750 BFGS: 110 20:41:29 6176.349979 62.0535 BFGS: 111 20:41:30 6166.276934 61.9329 BFGS: 112 20:41:31 6156.212765 61.8125 BFGS: 113 20:41:31 6146.157355 61.6923 BFGS: 114 20:41:32 6136.111247 61.5722 BFGS: 115 20:41:33 6126.074672 61.4527 BFGS: 116 20:41:34 6116.047569 61.3333 BFGS: 117 20:41:35 6106.030295 61.2138 BFGS: 118 20:41:35 6096.023287 61.0945 BFGS: 119 20:41:36 6086.026866 60.9752 BFGS: 120 20:41:37 6076.041190 60.8566 BFGS: 121 20:41:38 6066.066208 60.7378 BFGS: 122 20:41:38 6056.102530 60.6195 BFGS: 123 20:41:38 6046.150547 60.5020 BFGS: 124 20:41:39 6036.210652 60.3847 BFGS: 125 20:41:40 6026.283240 60.2682 BFGS: 126 20:41:40 6016.368118 60.1528 BFGS: 127 20:41:41 6006.465433 60.0402 BFGS: 128 20:41:41 5996.573671 59.9294 BFGS: 129 20:41:42 5986.691758 59.8186 BFGS: 130 20:41:42 5976.819231 59.7088 BFGS: 131 20:41:42 5966.956577 59.5996 BFGS: 132 20:41:43 5957.104044 59.4910 BFGS: 133 20:41:44 5947.261571 59.3821 BFGS: 134 20:41:44 5937.429700 59.2730 BFGS: 135 20:41:44 5927.609141 59.1635 BFGS: 136 20:41:44 5917.800952 59.0538 BFGS: 137 20:41:45 5908.005734 58.9439 BFGS: 138 20:41:45 5898.224119 58.8337 BFGS: 139 20:41:46 5888.456627 58.7237 BFGS: 140 20:41:46 5878.704368 58.6137 BFGS: 141 20:41:46 5868.967938 58.5037 BFGS: 142 20:41:46 5859.247773 58.3937 BFGS: 143 20:41:47 5849.544547 58.2835 BFGS: 144 20:41:48 5839.859105 58.1732 BFGS: 145 20:41:48 5830.192042 58.0627 BFGS: 146 20:41:49 5820.543839 57.9524 BFGS: 147 20:41:49 5810.914768 57.8422 BFGS: 148 20:41:49 5801.305285 57.7325 BFGS: 149 20:41:50 5791.714841 57.6235 BFGS: 150 20:41:50 5782.143023 57.5144 BFGS: 151 20:41:51 5772.591144 57.4053 BFGS: 152 20:41:52 5763.060277 57.2960 BFGS: 153 20:41:53 5753.550903 57.1867 BFGS: 154 20:41:53 5744.063395 57.0776 BFGS: 155 20:41:54 5734.598676 56.9688 BFGS: 156 20:41:54 5725.157211 56.8600 BFGS: 157 20:41:55 5715.739143 56.7510 BFGS: 158 20:41:55 5706.344572 56.6421 BFGS: 159 20:41:55 5696.974134 56.5340 BFGS: 160 20:41:56 5687.628608 56.4263 BFGS: 161 20:41:56 5678.308376 56.3190 BFGS: 162 20:41:57 5669.013665 56.2118 BFGS: 163 20:41:57 5659.744704 56.1045 BFGS: 164 20:41:58 5650.501595 56.0050 BFGS: 165 20:41:58 5641.284450 55.9061 BFGS: 166 20:41:58 5632.093376 55.8072 BFGS: 167 20:41:59 5622.928458 55.7081 BFGS: 168 20:41:59 5613.789770 55.6090 BFGS: 169 20:41:59 5604.677370 55.5099 BFGS: 170 20:42:00 5595.591184 55.4110 BFGS: 171 20:42:00 5586.530666 55.3126 BFGS: 172 20:42:01 5577.494738 55.2146 BFGS: 173 20:42:01 5568.481083 55.1168 BFGS: 174 20:42:02 5559.489135 55.0194 BFGS: 175 20:42:02 5550.519139 54.9220 BFGS: 176 20:42:03 5541.570918 54.8249 BFGS: 177 20:42:03 5532.643780 54.7280 BFGS: 178 20:42:03 5523.737220 54.6317 BFGS: 179 20:42:04 5514.850716 54.5353 BFGS: 180 20:42:04 5505.984210 54.4389 BFGS: 181 20:42:04 5497.137810 54.3423 BFGS: 182 20:42:05 5488.311466 54.2458 BFGS: 183 20:42:05 5479.504886 54.1491 BFGS: 184 20:42:06 5470.718227 54.0523 BFGS: 185 20:42:06 5461.951590 53.9556 BFGS: 186 20:42:07 5453.204810 53.8588 BFGS: 187 20:42:07 5444.477553 53.7625 BFGS: 188 20:42:08 5435.769052 53.6661 BFGS: 189 20:42:08 5427.079587 53.5695 BFGS: 190 20:42:08 5418.409428 53.4728 BFGS: 191 20:42:09 5409.758860 53.3760 BFGS: 192 20:42:09 5401.128184 53.2791 BFGS: 193 20:42:09 5392.517711 53.1820 BFGS: 194 20:42:10 5383.927713 53.0851 BFGS: 195 20:42:10 5375.358238 52.9888 BFGS: 196 20:42:11 5366.808994 52.8935 BFGS: 197 20:42:11 5358.280279 52.7983 BFGS: 198 20:42:12 5349.772523 52.7030 BFGS: 199 20:42:13 5341.286069 52.6075 BFGS: 200 20:42:13 5332.821156 52.5125 BFGS: 201 20:42:13 5324.378628 52.4182 BFGS: 202 20:42:14 5315.957163 52.3245 BFGS: 203 20:42:15 5307.556151 52.2309 BFGS: 204 20:42:15 5299.176139 52.1374 BFGS: 205 20:42:16 5290.817788 52.0455 BFGS: 206 20:42:16 5282.482665 51.9537 BFGS: 207 20:42:16 5274.171239 51.8619 BFGS: 208 20:42:17 5265.883479 51.7703 BFGS: 209 20:42:17 5257.619185 51.6788 BFGS: 210 20:42:18 5249.378655 51.5877 BFGS: 211 20:42:18 5241.160308 51.4966 BFGS: 212 20:42:18 5232.963571 51.4055 BFGS: 213 20:42:19 5224.788762 51.3145 BFGS: 214 20:42:19 5216.636853 51.2236 BFGS: 215 20:42:20 5208.508058 51.1328 BFGS: 216 20:42:20 5200.402576 51.0422 BFGS: 217 20:42:21 5192.320515 50.9526 BFGS: 218 20:42:21 5184.260946 50.8633 BFGS: 219 20:42:21 5176.223796 50.7738 BFGS: 220 20:42:22 5168.209915 50.6852 BFGS: 221 20:42:22 5160.220178 50.5966 BFGS: 222 20:42:22 5152.254977 50.5079 BFGS: 223 20:42:23 5144.314761 50.4194 BFGS: 224 20:42:24 5136.399833 50.3310 BFGS: 225 20:42:24 5128.509263 50.2434 BFGS: 226 20:42:24 5120.640846 50.1562 BFGS: 227 20:42:25 5112.795466 50.0690 BFGS: 228 20:42:25 5104.973636 49.9823 BFGS: 229 20:42:26 5097.175926 49.8958 BFGS: 230 20:42:26 5089.402671 49.8095 BFGS: 231 20:42:27 5081.652355 49.7231 BFGS: 232 20:42:28 5073.925098 49.6366 BFGS: 233 20:42:29 5066.221365 49.5502 BFGS: 234 20:42:29 5058.541115 49.4641 BFGS: 235 20:42:30 5050.884355 49.3786 BFGS: 236 20:42:30 5043.250742 49.2930 BFGS: 237 20:42:31 5035.640585 49.2081 BFGS: 238 20:42:31 5028.053887 49.1233 BFGS: 239 20:42:32 5020.491239 49.0386 BFGS: 240 20:42:32 5012.953302 48.9538 BFGS: 241 20:42:33 5005.440640 48.8689 BFGS: 242 20:42:33 4997.953747 48.7841 BFGS: 243 20:42:34 4990.492255 48.6996 BFGS: 244 20:42:35 4983.055535 48.6152 BFGS: 245 20:42:36 4975.644375 48.5311 BFGS: 246 20:42:36 4968.259207 48.4475 BFGS: 247 20:42:37 4960.900795 48.3639 BFGS: 248 20:42:38 4953.569492 48.2806 BFGS: 249 20:42:38 4946.265741 48.1978 BFGS: 250 20:42:39 4938.990036 48.1152 BFGS: 251 20:42:40 4931.742319 48.0331 BFGS: 252 20:42:41 4924.522943 47.9510 BFGS: 253 20:42:41 4917.331937 47.8694 BFGS: 254 20:42:42 4910.168843 47.7883 BFGS: 255 20:42:43 4903.033052 47.7076 BFGS: 256 20:42:43 4895.922736 47.6268 BFGS: 257 20:42:44 4888.837561 47.5464 BFGS: 258 20:42:44 4881.776203 47.4659 BFGS: 259 20:42:45 4874.737941 47.3856 BFGS: 260 20:42:46 4867.720223 47.3059 BFGS: 261 20:42:46 4860.721811 47.2263 BFGS: 262 20:42:47 4853.742027 47.1469 BFGS: 263 20:42:47 4846.780411 47.0677 BFGS: 264 20:42:48 4839.836514 46.9886 BFGS: 265 20:42:48 4832.909803 46.9102 BFGS: 266 20:42:48 4826.000284 46.8319 BFGS: 267 20:42:49 4819.107192 46.7537 BFGS: 268 20:42:49 4812.229579 46.6759 BFGS: 269 20:42:49 4805.366589 46.5983 BFGS: 270 20:42:50 4798.517513 46.5206 BFGS: 271 20:42:51 4791.681050 46.4428 BFGS: 272 20:42:51 4784.856156 46.3654 BFGS: 273 20:42:52 4778.041932 46.2881 BFGS: 274 20:42:52 4771.237094 46.2123 BFGS: 275 20:42:53 4764.441351 46.1375 BFGS: 276 20:42:53 4757.652918 46.0626 BFGS: 277 20:42:53 4750.870133 45.9875 BFGS: 278 20:42:54 4744.092043 45.9124 BFGS: 279 20:42:54 4737.317055 45.8373 BFGS: 280 20:42:55 4730.544620 45.7622 BFGS: 281 20:42:55 4723.774553 45.6869 BFGS: 282 20:42:55 4717.006630 45.6119 BFGS: 283 20:42:56 4710.240499 45.5368 BFGS: 284 20:42:57 4703.476256 45.4617 BFGS: 285 20:42:58 4696.712928 45.3863 BFGS: 286 20:42:59 4689.950546 45.3108 BFGS: 287 20:42:59 4683.189355 45.2350 BFGS: 288 20:42:59 4676.429978 45.1599 BFGS: 289 20:43:00 4669.672653 45.0850 BFGS: 290 20:43:01 4662.918226 45.0099 BFGS: 291 20:43:01 4656.167366 44.9351 BFGS: 292 20:43:02 4649.420069 44.8605 BFGS: 293 20:43:02 4642.676306 44.7857 BFGS: 294 20:43:03 4635.937062 44.7110 BFGS: 295 20:43:04 4629.204356 44.6363 BFGS: 296 20:43:04 4622.479395 44.5618 BFGS: 297 20:43:04 4615.762893 44.4878 BFGS: 298 20:43:05 4609.056102 44.4139 BFGS: 299 20:43:05 4602.359944 44.3400 BFGS: 300 20:43:06 4595.675170 44.2664 BFGS: 301 20:43:06 4589.002316 44.1931 BFGS: 302 20:43:07 4582.342078 44.1198 BFGS: 303 20:43:08 4575.694308 44.0463 BFGS: 304 20:43:09 4569.059547 43.9729 BFGS: 305 20:43:09 4562.438441 43.8993 BFGS: 306 20:43:10 4555.831649 43.8257 BFGS: 307 20:43:10 4549.239780 43.7523 BFGS: 308 20:43:11 4542.664020 43.6789 BFGS: 309 20:43:11 4536.104663 43.6055 BFGS: 310 20:43:12 4529.560260 43.5319 BFGS: 311 20:43:13 4523.031029 43.4584 BFGS: 312 20:43:13 4516.517490 43.3851 BFGS: 313 20:43:13 4510.019673 43.3123 BFGS: 314 20:43:14 4503.537662 43.2397 BFGS: 315 20:43:15 4497.071610 43.1669 BFGS: 316 20:43:16 4490.621761 43.0942 BFGS: 317 20:43:16 4484.187844 43.0221 BFGS: 318 20:43:17 4477.768921 42.9512 BFGS: 319 20:43:17 4471.365113 42.8809 BFGS: 320 20:43:18 4464.976563 42.8111 BFGS: 321 20:43:18 4458.601817 42.7418 BFGS: 322 20:43:19 4452.239305 42.6730 BFGS: 323 20:43:19 4445.888773 42.6047 BFGS: 324 20:43:19 4439.550328 42.5368 BFGS: 325 20:43:20 4433.223326 42.4689 BFGS: 326 20:43:20 4426.907720 42.4011 BFGS: 327 20:43:20 4420.603819 42.3333 BFGS: 328 20:43:21 4414.312244 42.2665 BFGS: 329 20:43:21 4408.034119 42.2001 BFGS: 330 20:43:22 4401.769936 42.1340 BFGS: 331 20:43:22 4395.519429 42.0679 BFGS: 332 20:43:23 4389.282239 42.0021 BFGS: 333 20:43:24 4383.058180 41.9367 BFGS: 334 20:43:25 4376.847753 41.8716 BFGS: 335 20:43:26 4370.651210 41.8065 BFGS: 336 20:43:26 4364.468934 41.7416 BFGS: 337 20:43:27 4358.301748 41.6768 BFGS: 338 20:43:28 4352.150082 41.6121 BFGS: 339 20:43:28 4346.013990 41.5476 BFGS: 340 20:43:29 4339.893630 41.4834 BFGS: 341 20:43:29 4333.788355 41.4198 BFGS: 342 20:43:30 4327.696385 41.3561 BFGS: 343 20:43:31 4321.618140 41.2922 BFGS: 344 20:43:32 4315.553989 41.2286 BFGS: 345 20:43:32 4309.503420 41.1649 BFGS: 346 20:43:33 4303.466704 41.1010 BFGS: 347 20:43:33 4297.444227 41.0373 BFGS: 348 20:43:33 4291.436602 40.9737 BFGS: 349 20:43:34 4285.444563 40.9100 BFGS: 350 20:43:34 4279.469102 40.8466 BFGS: 351 20:43:35 4273.511195 40.7829 BFGS: 352 20:43:36 4267.571660 40.7196 BFGS: 353 20:43:37 4261.651327 40.6570 BFGS: 354 20:43:38 4255.749717 40.5942 BFGS: 355 20:43:39 4249.867530 40.5315 BFGS: 356 20:43:39 4244.005678 40.4687 BFGS: 357 20:43:40 4238.165048 40.4060 BFGS: 358 20:43:41 4232.346271 40.3434 BFGS: 359 20:43:42 4226.549994 40.2810 BFGS: 360 20:43:43 4220.775988 40.2189 BFGS: 361 20:43:44 4215.025249 40.1569 BFGS: 362 20:43:44 4209.298862 40.0951 BFGS: 363 20:43:45 4203.597864 40.0331 BFGS: 364 20:43:46 4197.923011 39.9710 BFGS: 365 20:43:46 4192.275069 39.9089 BFGS: 366 20:43:47 4186.654702 39.8468 BFGS: 367 20:43:47 4181.061131 39.7849 BFGS: 368 20:43:48 4175.494119 39.7229 BFGS: 369 20:43:49 4169.954359 39.6614 BFGS: 370 20:43:50 4164.442720 39.6003 BFGS: 371 20:43:51 4158.959619 39.5392 BFGS: 372 20:43:51 4153.505638 39.4780 BFGS: 373 20:43:52 4148.081317 39.4169 BFGS: 374 20:43:53 4142.687182 39.3558 BFGS: 375 20:43:53 4137.323632 39.2947 BFGS: 376 20:43:54 4131.990871 39.2342 BFGS: 377 20:43:54 4126.689151 39.1737 BFGS: 378 20:43:55 4121.418786 39.1132 BFGS: 379 20:43:56 4116.179568 39.0533 BFGS: 380 20:43:56 4110.969460 38.9935 BFGS: 381 20:43:57 4105.788441 38.9338 BFGS: 382 20:43:58 4100.636717 38.8741 BFGS: 383 20:43:58 4095.514448 38.8144 BFGS: 384 20:43:59 4090.421751 38.7546 BFGS: 385 20:44:00 4085.358665 38.6952 BFGS: 386 20:44:00 4080.325179 38.6363 BFGS: 387 20:44:01 4075.320948 38.5778 BFGS: 388 20:44:01 4070.345174 38.5197 BFGS: 389 20:44:02 4065.397337 38.4616 BFGS: 390 20:44:03 4060.477036 38.4038 BFGS: 391 20:44:03 4055.582731 38.3462 BFGS: 392 20:44:03 4050.714058 38.2893 BFGS: 393 20:44:04 4045.871280 38.2328 BFGS: 394 20:44:05 4041.053709 38.1766 BFGS: 395 20:44:05 4036.260805 38.1209 BFGS: 396 20:44:06 4031.491868 38.0653 BFGS: 397 20:44:07 4026.745990 38.0114 BFGS: 398 20:44:07 4022.022091 37.9575 BFGS: 399 20:44:08 4017.319362 37.9038 BFGS: 400 20:44:08 4012.637303 37.8502 BFGS: 401 20:44:09 4007.975515 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22.0125 BFGS: 810 20:47:47 2565.575480 21.9829 BFGS: 811 20:47:47 2562.992485 21.9535 BFGS: 812 20:47:47 2560.417240 21.9252 BFGS: 813 20:47:48 2557.852042 21.8970 BFGS: 814 20:47:48 2555.297801 21.8688 BFGS: 815 20:47:48 2552.755419 21.8407 BFGS: 816 20:47:49 2550.225761 21.8127 BFGS: 817 20:47:49 2547.710078 21.7849 BFGS: 818 20:47:50 2545.209902 21.7591 BFGS: 819 20:47:50 2542.721128 21.7343 BFGS: 820 20:47:50 2540.244197 21.7097 BFGS: 821 20:47:51 2537.779270 21.6852 BFGS: 822 20:47:51 2535.327896 21.6609 BFGS: 823 20:47:51 2532.890748 21.6367 BFGS: 824 20:47:52 2530.467464 21.6125 BFGS: 825 20:47:52 2528.057409 21.5885 BFGS: 826 20:47:52 2525.659587 21.5644 BFGS: 827 20:47:53 2523.272272 21.5404 BFGS: 828 20:47:53 2520.896713 21.5164 BFGS: 829 20:47:53 2518.533394 21.4926 BFGS: 830 20:47:53 2516.180357 21.4693 BFGS: 831 20:47:54 2513.837056 21.4459 BFGS: 832 20:47:54 2511.501483 21.4225 BFGS: 833 20:47:54 2509.171375 21.3990 BFGS: 834 20:47:55 2506.844132 21.3754 BFGS: 835 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2001.839238 16.1266 BFGS: 1064 20:49:36 1999.645479 16.1073 BFGS: 1065 20:49:36 1997.451680 16.0880 BFGS: 1066 20:49:36 1995.258599 16.0686 BFGS: 1067 20:49:37 1993.066876 16.0493 BFGS: 1068 20:49:37 1990.877025 16.0300 BFGS: 1069 20:49:37 1988.689581 16.0108 BFGS: 1070 20:49:37 1986.504922 15.9918 BFGS: 1071 20:49:38 1984.323315 15.9728 BFGS: 1072 20:49:38 1982.145230 15.9538 BFGS: 1073 20:49:38 1979.971015 15.9348 BFGS: 1074 20:49:39 1977.800922 15.9159 BFGS: 1075 20:49:39 1975.635133 15.8970 BFGS: 1076 20:49:39 1973.474822 15.8781 BFGS: 1077 20:49:40 1971.320893 15.8593 BFGS: 1078 20:49:40 1969.173208 15.8405 BFGS: 1079 20:49:40 1967.031694 15.8217 BFGS: 1080 20:49:41 1964.896355 15.8030 BFGS: 1081 20:49:41 1962.767467 15.7844 BFGS: 1082 20:49:41 1960.645407 15.7658 BFGS: 1083 20:49:41 1958.530275 15.7472 BFGS: 1084 20:49:42 1956.422251 15.7287 BFGS: 1085 20:49:42 1954.321587 15.7101 BFGS: 1086 20:49:42 1952.228576 15.6917 BFGS: 1087 20:49:42 1950.144360 15.6736 BFGS: 1088 20:49:43 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20:59:06 142.537028 1.2043 BFGS: 3688 20:59:07 142.384304 1.2029 BFGS: 3689 20:59:07 142.231787 1.2016 BFGS: 3690 20:59:07 142.079476 1.2002 BFGS: 3691 20:59:07 141.927370 1.1988 BFGS: 3692 20:59:07 141.775466 1.1974 BFGS: 3693 20:59:08 141.623762 1.1960 BFGS: 3694 20:59:08 141.472258 1.1947 BFGS: 3695 20:59:08 141.320951 1.1933 BFGS: 3696 20:59:08 141.169841 1.1919 BFGS: 3697 20:59:08 141.018917 1.1906 BFGS: 3698 20:59:08 140.869504 1.1894 BFGS: 3699 20:59:09 140.721883 1.1882 BFGS: 3700 20:59:09 140.574875 1.1869 BFGS: 3701 20:59:09 140.428149 1.1857 BFGS: 3702 20:59:09 140.281579 1.1844 BFGS: 3703 20:59:09 140.135117 1.1832 BFGS: 3704 20:59:09 139.988746 1.1819 BFGS: 3705 20:59:10 139.842461 1.1807 BFGS: 3706 20:59:10 139.696261 1.1794 BFGS: 3707 20:59:10 139.550146 1.1782 BFGS: 3708 20:59:10 139.404118 1.1770 BFGS: 3709 20:59:10 139.258177 1.1757 BFGS: 3710 20:59:11 139.112325 1.1745 BFGS: 3711 20:59:11 138.966564 1.1733 BFGS: 3712 20:59:11 138.820894 1.1720 BFGS: 3713 20:59:11 138.675318 1.1708 BFGS: 3714 20:59:11 138.529836 1.1696 BFGS: 3715 20:59:11 138.384451 1.1683 BFGS: 3716 20:59:11 138.239163 1.1671 BFGS: 3717 20:59:12 138.093973 1.1659 BFGS: 3718 20:59:12 137.948884 1.1646 BFGS: 3719 20:59:12 137.803895 1.1634 BFGS: 3720 20:59:12 137.659009 1.1622 BFGS: 3721 20:59:12 137.514226 1.1610 BFGS: 3722 20:59:13 137.369548 1.1597 BFGS: 3723 20:59:13 137.224975 1.1585 BFGS: 3724 20:59:13 137.080510 1.1573 BFGS: 3725 20:59:13 136.936152 1.1561 BFGS: 3726 20:59:13 136.791903 1.1549 BFGS: 3727 20:59:13 136.647764 1.1536 BFGS: 3728 20:59:13 136.503735 1.1524 BFGS: 3729 20:59:14 136.359818 1.1512 BFGS: 3730 20:59:14 136.216014 1.1500 BFGS: 3731 20:59:14 136.072323 1.1488 BFGS: 3732 20:59:14 135.928746 1.1476 BFGS: 3733 20:59:14 135.785284 1.1464 BFGS: 3734 20:59:15 135.641937 1.1452 BFGS: 3735 20:59:15 135.498708 1.1440 BFGS: 3736 20:59:15 135.355595 1.1428 BFGS: 3737 20:59:15 135.212600 1.1416 BFGS: 3738 20:59:15 135.069723 1.1404 BFGS: 3739 20:59:15 134.926966 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21:02:54 2.803052 0.4134 BFGS: 5853 21:02:54 2.791248 0.4123 BFGS: 5854 21:02:54 2.779477 0.4112 BFGS: 5855 21:02:55 2.767738 0.4101 BFGS: 5856 21:02:55 2.756030 0.4090 BFGS: 5857 21:02:55 2.744352 0.4079 BFGS: 5858 21:02:55 2.732704 0.4068 BFGS: 5859 21:02:55 2.721085 0.4057 BFGS: 5860 21:02:55 2.709495 0.4046 BFGS: 5861 21:02:55 2.697933 0.4034 BFGS: 5862 21:02:56 2.686400 0.4023 BFGS: 5863 21:02:56 2.674894 0.4012 BFGS: 5864 21:02:56 2.663416 0.4001 BFGS: 5865 21:02:56 2.651964 0.3990 BFGS: 5866 21:02:56 2.640539 0.3978 BFGS: 5867 21:02:56 2.629141 0.3967 BFGS: 5868 21:02:56 2.617770 0.3956 BFGS: 5869 21:02:56 2.606424 0.3944 BFGS: 5870 21:02:57 2.595104 0.3933 BFGS: 5871 21:02:57 2.583810 0.3922 BFGS: 5872 21:02:57 2.572542 0.3910 BFGS: 5873 21:02:57 2.561299 0.3899 BFGS: 5874 21:02:57 2.550081 0.3887 BFGS: 5875 21:02:57 2.538889 0.3875 BFGS: 5876 21:02:57 2.527721 0.3864 BFGS: 5877 21:02:57 2.516579 0.3852 BFGS: 5878 21:02:57 2.505462 0.3841 BFGS: 5879 21:02:58 2.494369 0.3829 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1.913086 0.3112 BFGS: 5936 21:03:06 1.903445 0.3098 BFGS: 5937 21:03:06 1.893832 0.3084 BFGS: 5938 21:03:07 1.884245 0.3070 BFGS: 5939 21:03:07 1.874686 0.3056 BFGS: 5940 21:03:07 1.865155 0.3041 BFGS: 5941 21:03:07 1.855652 0.3027 BFGS: 5942 21:03:07 1.846176 0.3013 BFGS: 5943 21:03:07 1.836728 0.2999 BFGS: 5944 21:03:07 1.827308 0.2985 BFGS: 5945 21:03:07 1.817915 0.2970 BFGS: 5946 21:03:08 1.808551 0.2956 BFGS: 5947 21:03:08 1.799216 0.2941 BFGS: 5948 21:03:08 1.789908 0.2927 BFGS: 5949 21:03:08 1.780629 0.2912 BFGS: 5950 21:03:08 1.771378 0.2898 BFGS: 5951 21:03:08 1.762155 0.2883 BFGS: 5952 21:03:08 1.752962 0.2869 BFGS: 5953 21:03:09 1.743797 0.2854 BFGS: 5954 21:03:09 1.734660 0.2839 BFGS: 5955 21:03:09 1.725553 0.2825 BFGS: 5956 21:03:09 1.716474 0.2810 BFGS: 5957 21:03:09 1.707423 0.2795 BFGS: 5958 21:03:09 1.698401 0.2780 BFGS: 5959 21:03:10 1.689409 0.2765 BFGS: 5960 21:03:10 1.680446 0.2750 BFGS: 5961 21:03:10 1.671514 0.2735 BFGS: 5962 21:03:10 1.662612 0.2720 BFGS: 5963 21:03:10 1.653741 0.2705 BFGS: 5964 21:03:10 1.644902 0.2689 BFGS: 5965 21:03:10 1.636093 0.2674 BFGS: 5966 21:03:11 1.627316 0.2659 BFGS: 5967 21:03:11 1.618570 0.2643 BFGS: 5968 21:03:11 1.609856 0.2628 BFGS: 5969 21:03:11 1.601174 0.2612 BFGS: 5970 21:03:11 1.592524 0.2597 BFGS: 5971 21:03:11 1.583905 0.2581 BFGS: 5972 21:03:11 1.575319 0.2565 BFGS: 5973 21:03:12 1.566765 0.2550 BFGS: 5974 21:03:12 1.558242 0.2534 BFGS: 5975 21:03:12 1.549752 0.2518 BFGS: 5976 21:03:12 1.541294 0.2502 BFGS: 5977 21:03:13 1.532868 0.2487 BFGS: 5978 21:03:13 1.524474 0.2471 BFGS: 5979 21:03:13 1.516113 0.2455 BFGS: 5980 21:03:13 1.507783 0.2439 BFGS: 5981 21:03:13 1.499486 0.2423 BFGS: 5982 21:03:13 1.491221 0.2407 BFGS: 5983 21:03:13 1.482988 0.2391 BFGS: 5984 21:03:14 1.474787 0.2375 BFGS: 5985 21:03:14 1.466618 0.2359 BFGS: 5986 21:03:14 1.458482 0.2343 BFGS: 5987 21:03:14 1.450377 0.2327 BFGS: 5988 21:03:14 1.442305 0.2311 BFGS: 5989 21:03:14 1.434263 0.2295 BFGS: 5990 21:03:15 1.426274 0.2279 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0.2094 BFGS: 6019 21:03:20 1.214491 0.2092 BFGS: 6020 21:03:20 1.207758 0.2090 BFGS: 6021 21:03:21 1.201057 0.2087 BFGS: 6022 21:03:21 1.194389 0.2085 BFGS: 6023 21:03:21 1.187753 0.2083 BFGS: 6024 21:03:21 1.181149 0.2081 BFGS: 6025 21:03:21 1.174577 0.2079 BFGS: 6026 21:03:22 1.168036 0.2077 BFGS: 6027 21:03:22 1.161527 0.2074 BFGS: 6028 21:03:22 1.155049 0.2072 BFGS: 6029 21:03:22 1.148601 0.2070 BFGS: 6030 21:03:22 1.142184 0.2068 BFGS: 6031 21:03:23 1.135798 0.2066 BFGS: 6032 21:03:23 1.129448 0.2064 BFGS: 6033 21:03:23 1.123136 0.2061 BFGS: 6034 21:03:23 1.116862 0.2059 BFGS: 6035 21:03:23 1.110625 0.2057 BFGS: 6036 21:03:24 1.104425 0.2055 BFGS: 6037 21:03:24 1.098262 0.2053 BFGS: 6038 21:03:24 1.092136 0.2050 BFGS: 6039 21:03:24 1.086049 0.2048 BFGS: 6040 21:03:24 1.079998 0.2046 BFGS: 6041 21:03:24 1.073984 0.2044 BFGS: 6042 21:03:25 1.068006 0.2042 BFGS: 6043 21:03:25 1.062063 0.2040 BFGS: 6044 21:03:25 1.056157 0.2038 BFGS: 6045 21:03:25 1.050285 0.2036 BFGS: 6046 21:03:25 1.044449 0.2034 BFGS: 6047 21:03:26 1.038647 0.2032 BFGS: 6048 21:03:26 1.032879 0.2029 BFGS: 6049 21:03:26 1.027146 0.2027 BFGS: 6050 21:03:26 1.021447 0.2025 BFGS: 6051 21:03:26 1.015782 0.2023 BFGS: 6052 21:03:26 1.010150 0.2020 BFGS: 6053 21:03:27 1.004552 0.2018 BFGS: 6054 21:03:27 0.998987 0.2016 BFGS: 6055 21:03:27 0.993454 0.2013 BFGS: 6056 21:03:27 0.987952 0.2011 BFGS: 6057 21:03:27 0.982479 0.2008 BFGS: 6058 21:03:28 0.977035 0.2006 BFGS: 6059 21:03:28 0.971621 0.2003 BFGS: 6060 21:03:28 0.966236 0.2001 BFGS: 6061 21:03:28 0.960880 0.1998 BFGS: 6062 21:03:28 0.955552 0.1995 BFGS: 6063 21:03:29 0.950253 0.1993 BFGS: 6064 21:03:29 0.944982 0.1990 BFGS: 6065 21:03:29 0.939738 0.1987 BFGS: 6066 21:03:29 0.934523 0.1984 BFGS: 6067 21:03:29 0.929335 0.1981 BFGS: 6068 21:03:29 0.924174 0.1978 BFGS: 6069 21:03:30 0.919040 0.1975 BFGS: 6070 21:03:30 0.913934 0.1972 BFGS: 6071 21:03:30 0.908854 0.1969 BFGS: 6072 21:03:30 0.903801 0.1966 BFGS: 6073 21:03:30 0.898772 0.1963 BFGS: 6074 21:03:30 0.893767 0.1959 BFGS: 6075 21:03:31 0.888786 0.1956 BFGS: 6076 21:03:31 0.883828 0.1953 BFGS: 6077 21:03:31 0.878893 0.1949 BFGS: 6078 21:03:31 0.873982 0.1946 BFGS: 6079 21:03:32 0.869094 0.1942 BFGS: 6080 21:03:32 0.864230 0.1939 BFGS: 6081 21:03:32 0.859389 0.1935 BFGS: 6082 21:03:32 0.854571 0.1932 BFGS: 6083 21:03:32 0.849777 0.1928 BFGS: 6084 21:03:32 0.845006 0.1925 BFGS: 6085 21:03:33 0.840258 0.1921 BFGS: 6086 21:03:33 0.835533 0.1917 BFGS: 6087 21:03:33 0.830831 0.1914 BFGS: 6088 21:03:33 0.826153 0.1910 BFGS: 6089 21:03:33 0.821497 0.1906 BFGS: 6090 21:03:34 0.816864 0.1902 BFGS: 6091 21:03:34 0.812254 0.1898 BFGS: 6092 21:03:34 0.807667 0.1895 BFGS: 6093 21:03:34 0.803102 0.1891 BFGS: 6094 21:03:34 0.798560 0.1887 BFGS: 6095 21:03:35 0.794040 0.1883 BFGS: 6096 21:03:35 0.789543 0.1879 BFGS: 6097 21:03:35 0.785069 0.1875 BFGS: 6098 21:03:35 0.780617 0.1871 BFGS: 6099 21:03:35 0.776186 0.1867 BFGS: 6100 21:03:36 0.771779 0.1863 BFGS: 6101 21:03:36 0.767393 0.1858 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BFGS: 6213 21:03:53 0.394254 0.1289 BFGS: 6214 21:03:53 0.391762 0.1284 BFGS: 6215 21:03:53 0.389279 0.1279 BFGS: 6216 21:03:53 0.386806 0.1275 BFGS: 6217 21:03:53 0.384343 0.1270 BFGS: 6218 21:03:54 0.381890 0.1265 BFGS: 6219 21:03:54 0.379447 0.1261 BFGS: 6220 21:03:54 0.377013 0.1256 BFGS: 6221 21:03:54 0.374589 0.1252 BFGS: 6222 21:03:54 0.372174 0.1247 BFGS: 6223 21:03:54 0.369769 0.1243 BFGS: 6224 21:03:54 0.367373 0.1238 BFGS: 6225 21:03:55 0.364986 0.1234 BFGS: 6226 21:03:55 0.362608 0.1229 BFGS: 6227 21:03:55 0.360239 0.1225 BFGS: 6228 21:03:55 0.357880 0.1220 BFGS: 6229 21:03:55 0.355529 0.1216 BFGS: 6230 21:03:55 0.353187 0.1212 BFGS: 6231 21:03:55 0.350855 0.1207 BFGS: 6232 21:03:55 0.348531 0.1203 BFGS: 6233 21:03:56 0.346216 0.1199 BFGS: 6234 21:03:56 0.343910 0.1195 BFGS: 6235 21:03:56 0.341612 0.1191 BFGS: 6236 21:03:56 0.339323 0.1187 BFGS: 6237 21:03:56 0.337042 0.1183 BFGS: 6238 21:03:56 0.334769 0.1179 BFGS: 6239 21:03:56 0.332505 0.1175 BFGS: 6240 21:03:56 0.330248 0.1171 BFGS: 6241 21:03:57 0.328000 0.1168 BFGS: 6242 21:03:57 0.325760 0.1164 BFGS: 6243 21:03:57 0.323527 0.1160 BFGS: 6244 21:03:57 0.321303 0.1156 BFGS: 6245 21:03:57 0.319086 0.1153 BFGS: 6246 21:03:57 0.316877 0.1149 BFGS: 6247 21:03:57 0.314676 0.1145 BFGS: 6248 21:03:57 0.312483 0.1142 BFGS: 6249 21:03:57 0.310297 0.1138 BFGS: 6250 21:03:57 0.308118 0.1134 BFGS: 6251 21:03:57 0.305947 0.1131 BFGS: 6252 21:03:57 0.303785 0.1127 BFGS: 6253 21:03:57 0.301630 0.1123 BFGS: 6254 21:03:58 0.299483 0.1120 BFGS: 6255 21:03:58 0.297345 0.1116 BFGS: 6256 21:03:58 0.295215 0.1112 BFGS: 6257 21:03:58 0.293092 0.1109 BFGS: 6258 21:03:58 0.290977 0.1105 BFGS: 6259 21:03:58 0.288871 0.1101 BFGS: 6260 21:03:59 0.286772 0.1098 BFGS: 6261 21:03:59 0.284681 0.1094 BFGS: 6262 21:03:59 0.282598 0.1090 BFGS: 6263 21:04:00 0.280522 0.1087 BFGS: 6264 21:04:00 0.278454 0.1083 BFGS: 6265 21:04:00 0.276394 0.1080 BFGS: 6266 21:04:01 0.274341 0.1076 BFGS: 6267 21:04:01 0.272296 0.1072 BFGS: 6268 21:04:02 0.270259 0.1069 BFGS: 6269 21:04:02 0.268229 0.1065 BFGS: 6270 21:04:02 0.266207 0.1061 BFGS: 6271 21:04:03 0.264192 0.1058 BFGS: 6272 21:04:03 0.262184 0.1054 BFGS: 6273 21:04:03 0.260184 0.1051 BFGS: 6274 21:04:03 0.258192 0.1047 BFGS: 6275 21:04:03 0.256206 0.1043 BFGS: 6276 21:04:04 0.254229 0.1040 BFGS: 6277 21:04:04 0.252258 0.1036 BFGS: 6278 21:04:04 0.250295 0.1033 BFGS: 6279 21:04:04 0.248339 0.1029 BFGS: 6280 21:04:04 0.246390 0.1025 BFGS: 6281 21:04:05 0.244449 0.1022 BFGS: 6282 21:04:05 0.242515 0.1018 BFGS: 6283 21:04:05 0.240588 0.1015 BFGS: 6284 21:04:05 0.238668 0.1011 BFGS: 6285 21:04:05 0.236754 0.1008 BFGS: 6286 21:04:05 0.234847 0.1004 BFGS: 6287 21:04:06 0.232946 0.1001 BFGS: 6288 21:04:06 0.231052 0.0997 BFGS: 6289 21:04:06 0.229163 0.0994 BFGS: 6290 21:04:06 0.227281 0.0991 BFGS: 6291 21:04:06 0.225405 0.0987 BFGS: 6292 21:04:06 0.223535 0.0984 BFGS: 6293 21:04:06 0.221671 0.0981 BFGS: 6294 21:04:06 0.219813 0.0977 BFGS: 6295 21:04:07 0.217961 0.0974 BFGS: 6296 21:04:07 0.216115 0.0971 BFGS: 6297 21:04:07 0.214275 0.0968 BFGS: 6298 21:04:07 0.212441 0.0964 BFGS: 6299 21:04:07 0.210613 0.0961 BFGS: 6300 21:04:07 0.208791 0.0958 BFGS: 6301 21:04:07 0.206975 0.0955 BFGS: 6302 21:04:07 0.205166 0.0951 BFGS: 6303 21:04:08 0.203362 0.0948 BFGS: 6304 21:04:08 0.201564 0.0945 BFGS: 6305 21:04:08 0.199772 0.0942 BFGS: 6306 21:04:08 0.197987 0.0938 BFGS: 6307 21:04:08 0.196207 0.0935 BFGS: 6308 21:04:08 0.194434 0.0932 BFGS: 6309 21:04:08 0.192666 0.0928 BFGS: 6310 21:04:08 0.190905 0.0925 BFGS: 6311 21:04:09 0.189150 0.0922 BFGS: 6312 21:04:09 0.187401 0.0919 BFGS: 6313 21:04:09 0.185658 0.0915 BFGS: 6314 21:04:09 0.183921 0.0912 BFGS: 6315 21:04:09 0.182190 0.0909 BFGS: 6316 21:04:09 0.180466 0.0906 BFGS: 6317 21:04:09 0.178748 0.0902 BFGS: 6318 21:04:09 0.177036 0.0899 BFGS: 6319 21:04:10 0.175330 0.0896 BFGS: 6320 21:04:10 0.173631 0.0892 BFGS: 6321 21:04:10 0.171938 0.0889 BFGS: 6322 21:04:10 0.170251 0.0886 BFGS: 6323 21:04:10 0.168571 0.0882 BFGS: 6324 21:04:10 0.166897 0.0879 BFGS: 6325 21:04:11 0.165229 0.0875 BFGS: 6326 21:04:11 0.163568 0.0872 BFGS: 6327 21:04:11 0.161913 0.0869 BFGS: 6328 21:04:11 0.160265 0.0865 BFGS: 6329 21:04:11 0.158623 0.0862 BFGS: 6330 21:04:11 0.156988 0.0858 BFGS: 6331 21:04:11 0.155359 0.0855 BFGS: 6332 21:04:12 0.153737 0.0851 BFGS: 6333 21:04:12 0.152121 0.0848 BFGS: 6334 21:04:12 0.150512 0.0844 BFGS: 6335 21:04:12 0.148910 0.0841 BFGS: 6336 21:04:12 0.147314 0.0837 BFGS: 6337 21:04:13 0.145725 0.0834 BFGS: 6338 21:04:13 0.144143 0.0830 BFGS: 6339 21:04:13 0.142568 0.0827 BFGS: 6340 21:04:13 0.140999 0.0823 BFGS: 6341 21:04:13 0.139437 0.0819 BFGS: 6342 21:04:14 0.137882 0.0816 BFGS: 6343 21:04:14 0.136334 0.0812 BFGS: 6344 21:04:14 0.134792 0.0809 BFGS: 6345 21:04:14 0.133257 0.0805 BFGS: 6346 21:04:14 0.131730 0.0801 BFGS: 6347 21:04:15 0.130210 0.0797 BFGS: 6348 21:04:15 0.128697 0.0793 BFGS: 6349 21:04:15 0.127191 0.0790 BFGS: 6350 21:04:15 0.125692 0.0786 BFGS: 6351 21:04:15 0.124201 0.0782 BFGS: 6352 21:04:15 0.122717 0.0778 BFGS: 6353 21:04:15 0.121241 0.0774 BFGS: 6354 21:04:15 0.119772 0.0770 BFGS: 6355 21:04:15 0.118310 0.0765 BFGS: 6356 21:04:16 0.116856 0.0761 BFGS: 6357 21:04:16 0.115409 0.0757 BFGS: 6358 21:04:16 0.113970 0.0753 BFGS: 6359 21:04:16 0.112539 0.0749 BFGS: 6360 21:04:16 0.111115 0.0744 BFGS: 6361 21:04:17 0.109699 0.0740 BFGS: 6362 21:04:17 0.108291 0.0736 BFGS: 6363 21:04:17 0.106890 0.0732 BFGS: 6364 21:04:17 0.105497 0.0727 BFGS: 6365 21:04:17 0.104112 0.0723 BFGS: 6366 21:04:17 0.102735 0.0718 BFGS: 6367 21:04:18 0.101366 0.0714 BFGS: 6368 21:04:18 0.100004 0.0709 BFGS: 6369 21:04:18 0.098651 0.0705 BFGS: 6370 21:04:18 0.097306 0.0701 BFGS: 6371 21:04:18 0.095968 0.0696 BFGS: 6372 21:04:19 0.094639 0.0691 BFGS: 6373 21:04:19 0.093318 0.0687 BFGS: 6374 21:04:19 0.092005 0.0682 BFGS: 6375 21:04:19 0.090700 0.0678 BFGS: 6376 21:04:20 0.089404 0.0673 BFGS: 6377 21:04:20 0.088119 0.0668 BFGS: 6378 21:04:20 0.086855 0.0664 BFGS: 6379 21:04:20 0.085611 0.0659 BFGS: 6380 21:04:20 0.084387 0.0654 BFGS: 6381 21:04:21 0.083185 0.0648 BFGS: 6382 21:04:21 0.082005 0.0643 BFGS: 6383 21:04:21 0.080847 0.0637 BFGS: 6384 21:04:21 0.079714 0.0632 BFGS: 6385 21:04:21 0.078604 0.0626 BFGS: 6386 21:04:22 0.077519 0.0620 BFGS: 6387 21:04:22 0.076460 0.0613 BFGS: 6388 21:04:22 0.075426 0.0607 BFGS: 6389 21:04:22 0.074418 0.0601 BFGS: 6390 21:04:22 0.073436 0.0594 BFGS: 6391 21:04:23 0.072479 0.0587 BFGS: 6392 21:04:23 0.071548 0.0580 BFGS: 6393 21:04:24 0.070642 0.0573 BFGS: 6394 21:04:24 0.069761 0.0566 BFGS: 6395 21:04:24 0.068903 0.0559 BFGS: 6396 21:04:24 0.068069 0.0552 BFGS: 6397 21:04:24 0.067257 0.0544 BFGS: 6398 21:04:24 0.066465 0.0537 BFGS: 6399 21:04:25 0.065694 0.0529 BFGS: 6400 21:04:25 0.064941 0.0522 BFGS: 6401 21:04:25 0.064206 0.0514 BFGS: 6402 21:04:25 0.063487 0.0506 BFGS: 6403 21:04:25 0.062783 0.0499 BFGS: 6404 21:04:26 0.062093 0.0495 BFGS: 6405 21:04:26 0.061415 0.0490 BFGS: 6406 21:04:26 0.060749 0.0486 BFGS: 6407 21:04:26 0.060094 0.0481 BFGS: 6408 21:04:26 0.059448 0.0477 BFGS: 6409 21:04:27 0.058811 0.0472 BFGS: 6410 21:04:27 0.058181 0.0468 BFGS: 6411 21:04:27 0.057558 0.0464 BFGS: 6412 21:04:27 0.056941 0.0459 BFGS: 6413 21:04:27 0.056329 0.0455 BFGS: 6414 21:04:27 0.055721 0.0451 BFGS: 6415 21:04:27 0.055116 0.0446 BFGS: 6416 21:04:27 0.054514 0.0442 BFGS: 6417 21:04:28 0.053915 0.0437 BFGS: 6418 21:04:28 0.053317 0.0433 BFGS: 6419 21:04:28 0.052721 0.0429 BFGS: 6420 21:04:28 0.052126 0.0424 BFGS: 6421 21:04:28 0.051532 0.0420 BFGS: 6422 21:04:28 0.050939 0.0426 BFGS: 6423 21:04:29 0.050347 0.0432 BFGS: 6424 21:04:29 0.049755 0.0439 BFGS: 6425 21:04:29 0.049163 0.0445 BFGS: 6426 21:04:29 0.048572 0.0451 BFGS: 6427 21:04:29 0.047981 0.0456 BFGS: 6428 21:04:29 0.047390 0.0462 BFGS: 6429 21:04:30 0.046799 0.0467 BFGS: 6430 21:04:30 0.046208 0.0472 BFGS: 6431 21:04:30 0.045617 0.0476 BFGS: 6432 21:04:30 0.045026 0.0480 BFGS: 6433 21:04:30 0.044435 0.0484 BFGS: 6434 21:04:30 0.043844 0.0488 BFGS: 6435 21:04:30 0.043254 0.0491 BFGS: 6436 21:04:31 0.042663 0.0495 BFGS: 6437 21:04:31 0.042073 0.0497 BFGS: 6438 21:04:31 0.041482 0.0500 BFGS: 6439 21:04:31 0.040892 0.0503 BFGS: 6440 21:04:31 0.040302 0.0505 BFGS: 6441 21:04:31 0.039713 0.0507 BFGS: 6442 21:04:32 0.039123 0.0509 BFGS: 6443 21:04:32 0.038539 0.0510 BFGS: 6444 21:04:32 0.037960 0.0512 BFGS: 6445 21:04:32 0.037387 0.0513 BFGS: 6446 21:04:32 0.036819 0.0514 BFGS: 6447 21:04:32 0.036255 0.0515 BFGS: 6448 21:04:33 0.035694 0.0516 BFGS: 6449 21:04:33 0.035137 0.0517 BFGS: 6450 21:04:33 0.034583 0.0517 BFGS: 6451 21:04:33 0.034032 0.0518 BFGS: 6452 21:04:33 0.033483 0.0518 BFGS: 6453 21:04:33 0.032936 0.0518 BFGS: 6454 21:04:34 0.032391 0.0518 BFGS: 6455 21:04:34 0.031848 0.0517 BFGS: 6456 21:04:34 0.031307 0.0517 BFGS: 6457 21:04:34 0.030768 0.0516 BFGS: 6458 21:04:34 0.030230 0.0515 BFGS: 6459 21:04:35 0.029695 0.0514 BFGS: 6460 21:04:35 0.029161 0.0512 BFGS: 6461 21:04:35 0.028628 0.0511 BFGS: 6462 21:04:35 0.028097 0.0509 BFGS: 6463 21:04:35 0.027568 0.0507 BFGS: 6464 21:04:36 0.027040 0.0505 BFGS: 6465 21:04:36 0.026514 0.0503 BFGS: 6466 21:04:36 0.025990 0.0500 BFGS: 6467 21:04:37 0.025468 0.0497 BFGS: 6468 21:04:37 0.024947 0.0495 BFGS: 6469 21:04:37 0.024429 0.0492 BFGS: 6470 21:04:37 0.023912 0.0488 BFGS: 6471 21:04:37 0.023398 0.0485 BFGS: 6472 21:04:37 0.022885 0.0482 BFGS: 6473 21:04:37 0.022375 0.0478 BFGS: 6474 21:04:37 0.021868 0.0474 BFGS: 6475 21:04:37 0.021362 0.0470 BFGS: 6476 21:04:37 0.020860 0.0466 BFGS: 6477 21:04:37 0.020359 0.0461 BFGS: 6478 21:04:37 0.019862 0.0457 BFGS: 6479 21:04:38 0.019368 0.0452 BFGS: 6480 21:04:38 0.018876 0.0447 BFGS: 6481 21:04:38 0.018388 0.0442 BFGS: 6482 21:04:38 0.017902 0.0437 BFGS: 6483 21:04:38 0.017420 0.0432 BFGS: 6484 21:04:38 0.016945 0.0427 BFGS: 6485 21:04:38 0.016477 0.0421 BFGS: 6486 21:04:38 0.016015 0.0416 BFGS: 6487 21:04:38 0.015561 0.0410 BFGS: 6488 21:04:38 0.015112 0.0405 BFGS: 6489 21:04:39 0.014670 0.0399 BFGS: 6490 21:04:39 0.014235 0.0393 BFGS: 6491 21:04:39 0.013805 0.0388 BFGS: 6492 21:04:39 0.013382 0.0382 BFGS: 6493 21:04:39 0.012966 0.0376 BFGS: 6494 21:04:39 0.012556 0.0370 BFGS: 6495 21:04:40 0.012153 0.0364 BFGS: 6496 21:04:40 0.011756 0.0358 BFGS: 6497 21:04:40 0.011367 0.0352 BFGS: 6498 21:04:40 0.010984 0.0346 BFGS: 6499 21:04:41 0.010608 0.0340 BFGS: 6500 21:04:41 0.010240 0.0333 BFGS: 6501 21:04:41 0.009879 0.0327 BFGS: 6502 21:04:41 0.009525 0.0321 BFGS: 6503 21:04:42 0.009178 0.0314 BFGS: 6504 21:04:42 0.008839 0.0307 BFGS: 6505 21:04:42 0.008508 0.0301 BFGS: 6506 21:04:42 0.008185 0.0294 BFGS: 6507 21:04:42 0.007870 0.0287 BFGS: 6508 21:04:42 0.007562 0.0280 BFGS: 6509 21:04:42 0.007264 0.0273 BFGS: 6510 21:04:43 0.006976 0.0265 BFGS: 6511 21:04:43 0.006699 0.0256 BFGS: 6512 21:04:43 0.006432 0.0248 BFGS: 6513 21:04:43 0.006173 0.0246 BFGS: 6514 21:04:43 0.005923 0.0243 BFGS: 6515 21:04:43 0.005681 0.0240 BFGS: 6516 21:04:43 0.005445 0.0236 BFGS: 6517 21:04:43 0.005216 0.0232 BFGS: 6518 21:04:44 0.004990 0.0228 BFGS: 6519 21:04:44 0.004767 0.0223 BFGS: 6520 21:04:44 0.004546 0.0218 BFGS: 6521 21:04:44 0.004327 0.0212 BFGS: 6522 21:04:44 0.004111 0.0206 BFGS: 6523 21:04:44 0.003895 0.0200 BFGS: 6524 21:04:45 0.003683 0.0193 BFGS: 6525 21:04:45 0.003475 0.0185 BFGS: 6526 21:04:45 0.003272 0.0178 BFGS: 6527 21:04:45 0.003073 0.0170 BFGS: 6528 21:04:45 0.002879 0.0162 BFGS: 6529 21:04:45 0.002689 0.0153 BFGS: 6530 21:04:46 0.002507 0.0144 BFGS: 6531 21:04:46 0.002331 0.0136 BFGS: 6532 21:04:46 0.002162 0.0136 BFGS: 6533 21:04:46 0.001999 0.0135 BFGS: 6534 21:04:46 0.001844 0.0134 BFGS: 6535 21:04:47 0.001696 0.0132 BFGS: 6536 21:04:47 0.001555 0.0131 BFGS: 6537 21:04:47 0.001421 0.0129 BFGS: 6538 21:04:47 0.001295 0.0127 BFGS: 6539 21:04:47 0.001175 0.0124 BFGS: 6540 21:04:47 0.001063 0.0121 BFGS: 6541 21:04:48 0.000958 0.0118 BFGS: 6542 21:04:48 0.000860 0.0114 BFGS: 6543 21:04:48 0.000767 0.0110 BFGS: 6544 21:04:48 0.000682 0.0105 BFGS: 6545 21:04:48 0.000603 0.0100 BFGS: 6546 21:04:49 0.000531 0.0094 BFGS: 6547 21:04:49 0.000463 0.0088 BFGS: 6548 21:04:49 0.000401 0.0082 BFGS: 6549 21:04:49 0.000344 0.0076 BFGS: 6550 21:04:49 0.000293 0.0070 BFGS: 6551 21:04:49 0.000250 0.0064 BFGS: 6552 21:04:50 0.000214 0.0057 BFGS: 6553 21:04:50 0.000184 0.0050 BFGS: 6554 21:04:50 0.000160 0.0047 BFGS: 6555 21:04:50 0.000142 0.0043 BFGS: 6556 21:04:50 0.000129 0.0040 BFGS: 6557 21:04:51 0.000121 0.0036 BFGS: 6558 21:04:51 0.000117 0.0038 BFGS: 6559 21:04:51 0.000111 0.0041 BFGS: 6560 21:04:51 0.000098 0.0039 BFGS: 6561 21:04:51 0.000058 0.0028 BFGS: 6562 21:04:52 0.000054 0.0032 BFGS: 6563 21:04:52 0.000043 0.0021 BFGS: 6564 21:04:52 0.000041 0.0022 BFGS: 6565 21:04:52 0.000034 0.0026 BFGS: 6566 21:04:52 0.000028 0.0028 BFGS: 6567 21:04:52 0.000022 0.0030 BFGS: 6568 21:04:53 0.000017 0.0029 BFGS: 6569 21:04:53 0.000012 0.0024 BFGS: 6570 21:04:53 0.000008 0.0019 BFGS: 6571 21:04:53 0.000004 0.0014 BFGS: 6572 21:04:53 0.000002 0.0009 BFGS: 6573 21:04:53 0.000000 0.0004 BFGS: 6574 21:04:54 0.000000 0.0000 BFGS: 6575 21:04:54 -0.000000 0.0000 BFGS: 6576 21:04:54 0.000000 0.0000 Minimization converged after 6576 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[6.29338987e-32 0.00000000e+00 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [3.55747093e-31 1.67288857e-01 3.43488412e-01] [3.91106876e-31 8.32711143e-01 3.43488412e-01] [3.32711143e-01 5.00000000e-01 8.43488412e-01] [6.67288857e-01 5.00000000e-01 8.43488412e-01] [5.00000000e-01 6.67288857e-01 1.56511588e-01] [5.00000000e-01 3.32711143e-01 1.56511588e-01] [1.67288857e-01 1.11489970e-31 6.56511588e-01] [8.32711143e-01 0.00000000e+00 6.56511588e-01] [1.23755178e-31 3.71517884e-01 4.13113925e-01] [0.00000000e+00 6.28482116e-01 4.13113925e-01] [1.28482116e-01 5.00000000e-01 9.13113925e-01] [8.71517884e-01 5.00000000e-01 9.13113925e-01] [5.00000000e-01 8.71517884e-01 8.68860746e-02] [5.00000000e-01 1.28482116e-01 8.68860746e-02] [3.71517884e-01 6.18262561e-31 5.86886075e-01] [6.28482116e-01 3.04063554e-31 5.86886075e-01] [0.00000000e+00 3.56705116e-01 7.35966384e-01] [0.00000000e+00 6.43294884e-01 7.35966384e-01] [1.43294884e-01 5.00000000e-01 2.35966384e-01] [8.56705116e-01 5.00000000e-01 2.35966384e-01] [5.00000000e-01 8.56705116e-01 7.64033616e-01] [5.00000000e-01 1.43294884e-01 7.64033616e-01] [3.56705116e-01 5.42246672e-31 2.64033616e-01] [6.43294884e-01 1.97641310e-31 2.64033616e-01] [1.77436439e-31 2.26919449e-01 9.39798499e-01] [0.00000000e+00 7.73080551e-01 9.39798499e-01] [2.73080551e-01 5.00000000e-01 4.39798499e-01] [7.26919449e-01 5.00000000e-01 4.39798499e-01] [5.00000000e-01 7.26919449e-01 5.60201501e-01] [5.00000000e-01 2.73080551e-01 5.60201501e-01] [2.26919449e-01 1.14023833e-31 6.02015013e-02] [7.73080551e-01 1.16557696e-31 6.02015013e-02] [4.29018171e-32 3.19595696e-01 1.85048392e-01] [0.00000000e+00 6.80404304e-01 1.85048392e-01] [1.80404304e-01 5.00000000e-01 6.85048392e-01] [8.19595696e-01 5.00000000e-01 6.85048392e-01] [5.00000000e-01 8.19595696e-01 3.14951608e-01] [5.00000000e-01 1.80404304e-01 3.14951608e-01] [3.19595696e-01 0.00000000e+00 8.14951608e-01] [6.80404304e-01 0.00000000e+00 8.14951608e-01] [2.92924609e-01 1.69089001e-01 1.57574594e-01] [7.07075391e-01 8.30910999e-01 1.57574594e-01] [3.30910999e-01 7.92924609e-01 6.57574594e-01] [6.69089001e-01 2.07075391e-01 6.57574594e-01] [2.07075391e-01 6.69089001e-01 3.42425406e-01] [7.92924609e-01 3.30910999e-01 3.42425406e-01] [1.69089001e-01 2.92924609e-01 8.42425406e-01] [8.30910999e-01 7.07075391e-01 8.42425406e-01] [2.07075391e-01 3.30910999e-01 3.42425406e-01] [7.92924609e-01 6.69089001e-01 3.42425406e-01] [1.69089001e-01 7.07075391e-01 8.42425406e-01] [8.30910999e-01 2.92924609e-01 8.42425406e-01] [2.92924609e-01 8.30910999e-01 1.57574594e-01] [7.07075391e-01 1.69089001e-01 1.57574594e-01] [3.30910999e-01 2.07075391e-01 6.57574594e-01] [6.69089001e-01 7.92924609e-01 6.57574594e-01] [3.71517767e-01 3.68169468e-01 7.46124823e-01] [6.28482233e-01 6.31830532e-01 7.46124823e-01] [1.31830532e-01 8.71517767e-01 2.46124823e-01] [8.68169468e-01 1.28482233e-01 2.46124823e-01] [1.28482233e-01 8.68169468e-01 7.53875177e-01] [8.71517767e-01 1.31830532e-01 7.53875177e-01] [3.68169468e-01 3.71517767e-01 2.53875177e-01] [6.31830532e-01 6.28482233e-01 2.53875177e-01] [1.28482233e-01 1.31830532e-01 7.53875177e-01] [8.71517767e-01 8.68169468e-01 7.53875177e-01] [3.68169468e-01 6.28482233e-01 2.53875177e-01] [6.31830532e-01 3.71517767e-01 2.53875177e-01] [3.71517767e-01 6.31830532e-01 7.46124823e-01] [6.28482233e-01 3.68169468e-01 7.46124823e-01] [1.31830532e-01 1.28482233e-01 2.46124823e-01] [8.68169468e-01 8.71517767e-01 2.46124823e-01] [3.61431616e-01 3.71166410e-01 9.42693631e-01] [6.38568384e-01 6.28833590e-01 9.42693631e-01] [1.28833590e-01 8.61431616e-01 4.42693631e-01] [8.71166410e-01 1.38568384e-01 4.42693631e-01] [1.38568384e-01 8.71166410e-01 5.57306369e-01] [8.61431616e-01 1.28833590e-01 5.57306369e-01] [3.71166410e-01 3.61431616e-01 5.73063687e-02] [6.28833590e-01 6.38568384e-01 5.73063687e-02] [1.38568384e-01 1.28833590e-01 5.57306369e-01] [8.61431616e-01 8.71166410e-01 5.57306369e-01] [3.71166410e-01 6.38568384e-01 5.73063687e-02] [6.28833590e-01 3.61431616e-01 5.73063687e-02] [3.61431616e-01 6.28833590e-01 9.42693631e-01] [6.38568384e-01 3.71166410e-01 9.42693631e-01] [1.28833590e-01 1.38568384e-01 4.42693631e-01] [8.71166410e-01 8.61431616e-01 4.42693631e-01] [3.69442067e-01 1.29419236e-01 9.83608318e-01] [6.30557933e-01 8.70580764e-01 9.83608318e-01] [3.70580764e-01 8.69442067e-01 4.83608318e-01] [6.29419236e-01 1.30557933e-01 4.83608318e-01] [1.30557933e-01 6.29419236e-01 5.16391682e-01] [8.69442067e-01 3.70580764e-01 5.16391682e-01] [1.29419236e-01 3.69442067e-01 1.63916821e-02] [8.70580764e-01 6.30557933e-01 1.63916821e-02] [1.30557933e-01 3.70580764e-01 5.16391682e-01] [8.69442067e-01 6.29419236e-01 5.16391682e-01] [1.29419236e-01 6.30557933e-01 1.63916821e-02] [8.70580764e-01 3.69442067e-01 1.63916821e-02] [3.69442067e-01 8.70580764e-01 9.83608318e-01] [6.30557933e-01 1.29419236e-01 9.83608318e-01] [3.70580764e-01 1.30557933e-01 4.83608318e-01] [6.29419236e-01 8.69442067e-01 4.83608318e-01]] cellpar = Cell([[38.91592204425245, 1.2767751152460375e-37, -4.1249109271793854e-35], [-5.850867038814492e-36, 38.91592204425244, -2.6799651650124243e-15], [-9.063541147107914e-35, -5.974479438408124e-15, 87.36165462395138]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [0. 0. 0. 0. 0. 0.] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0