element(s): ['Si'] AFLOW prototype label: A_cF136_227_aeg Parameter names: ['a', 'x2', 'x3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.7362', '0.76473335', '0.31636148', '0.12789779'] model name: Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0.88973335 0.88973335 0.88973335] [0.44136148 0.44136148 0.25289779]] spacegroup = 227 cell = [[14.7362, 0, 0], [0, 14.7362, 0], [0, 0, 14.7362]] ========================================= Step Time Energy fmax BFGS: 0 15:17:21 482.484180 4.538049 BFGS: 1 15:17:22 479.921451 4.513963 BFGS: 2 15:17:23 477.528605 4.490911 BFGS: 3 15:17:24 475.286946 4.471949 BFGS: 4 15:17:25 473.179822 4.454432 BFGS: 5 15:17:27 471.196741 4.440745 BFGS: 6 15:17:28 469.332973 4.427825 BFGS: 7 15:17:31 467.576583 4.415307 BFGS: 8 15:17:32 465.916517 4.403156 BFGS: 9 15:17:34 464.343042 4.391343 BFGS: 10 15:17:35 462.847573 4.379839 BFGS: 11 15:17:36 461.422517 4.368621 BFGS: 12 15:17:39 460.061144 4.357667 BFGS: 13 15:17:41 458.757478 4.346956 BFGS: 14 15:17:41 457.506198 4.336471 BFGS: 15 15:17:44 456.302562 4.326197 BFGS: 16 15:17:46 455.142328 4.316118 BFGS: 17 15:17:48 454.021701 4.306221 BFGS: 18 15:17:51 452.937274 4.296495 BFGS: 19 15:17:52 451.885983 4.286929 BFGS: 20 15:17:53 450.865072 4.277513 BFGS: 21 15:17:54 449.872048 4.268238 BFGS: 22 15:17:56 448.904662 4.259095 BFGS: 23 15:17:58 447.960873 4.250077 BFGS: 24 15:17:59 447.038828 4.241178 BFGS: 25 15:18:01 446.136845 4.232390 BFGS: 26 15:18:03 445.253388 4.223708 BFGS: 27 15:18:04 444.387057 4.215126 BFGS: 28 15:18:05 443.536570 4.206640 BFGS: 29 15:18:07 442.700753 4.198244 BFGS: 30 15:18:08 441.878529 4.189934 BFGS: 31 15:18:09 441.068908 4.181707 BFGS: 32 15:18:10 440.270975 4.173557 BFGS: 33 15:18:11 439.483890 4.165483 BFGS: 34 15:18:12 438.706874 4.157479 BFGS: 35 15:18:13 437.939205 4.149544 BFGS: 36 15:18:15 437.180216 4.141674 BFGS: 37 15:18:16 436.429284 4.133867 BFGS: 38 15:18:16 435.685833 4.126119 BFGS: 39 15:18:17 434.949324 4.118428 BFGS: 40 15:18:18 434.219255 4.110792 BFGS: 41 15:18:20 433.495155 4.103209 BFGS: 42 15:18:21 432.776586 4.095676 BFGS: 43 15:18:21 432.063136 4.088191 BFGS: 44 15:18:22 431.354418 4.080753 BFGS: 45 15:18:23 430.650070 4.073359 BFGS: 46 15:18:25 429.949749 4.066007 BFGS: 47 15:18:26 429.253137 4.058696 BFGS: 48 15:18:27 428.559928 4.051424 BFGS: 49 15:18:28 427.869840 4.044189 BFGS: 50 15:18:28 427.182602 4.036990 BFGS: 51 15:18:29 426.497961 4.029825 BFGS: 52 15:18:30 425.815677 4.022693 BFGS: 53 15:18:33 425.135525 4.015592 BFGS: 54 15:18:34 424.457290 4.008520 BFGS: 55 15:18:35 423.780771 4.001476 BFGS: 56 15:18:38 423.105778 3.994460 BFGS: 57 15:18:38 422.432131 3.987468 BFGS: 58 15:18:40 421.759662 3.980501 BFGS: 59 15:18:41 421.088100 3.973973 BFGS: 60 15:18:45 420.416954 3.967581 BFGS: 61 15:18:45 419.746059 3.961207 BFGS: 62 15:18:49 419.075300 3.954850 BFGS: 63 15:18:51 418.404571 3.948508 BFGS: 64 15:18:52 417.733773 3.942181 BFGS: 65 15:18:53 417.062815 3.935867 BFGS: 66 15:18:56 416.391618 3.929565 BFGS: 67 15:18:56 415.720106 3.923275 BFGS: 68 15:18:57 415.048215 3.916995 BFGS: 69 15:18:57 414.375886 3.910724 BFGS: 70 15:18:58 413.703070 3.904462 BFGS: 71 15:18:59 413.029722 3.898206 BFGS: 72 15:18:59 412.355808 3.891957 BFGS: 73 15:19:01 411.681296 3.885714 BFGS: 74 15:19:02 411.006163 3.879475 BFGS: 75 15:19:03 410.330393 3.873240 BFGS: 76 15:19:03 409.653973 3.867008 BFGS: 77 15:19:05 408.976896 3.860778 BFGS: 78 15:19:05 408.299159 3.854549 BFGS: 79 15:19:06 407.620766 3.848322 BFGS: 80 15:19:06 406.941722 3.842095 BFGS: 81 15:19:07 406.262036 3.835867 BFGS: 82 15:19:08 405.581721 3.829638 BFGS: 83 15:19:08 404.900791 3.823408 BFGS: 84 15:19:09 404.219265 3.817176 BFGS: 85 15:19:10 403.537161 3.810941 BFGS: 86 15:19:11 402.854502 3.804704 BFGS: 87 15:19:12 402.171309 3.798464 BFGS: 88 15:19:12 401.487608 3.792219 BFGS: 89 15:19:13 400.803423 3.785971 BFGS: 90 15:19:14 400.118782 3.779719 BFGS: 91 15:19:15 399.433712 3.773462 BFGS: 92 15:19:16 398.748242 3.767201 BFGS: 93 15:19:17 398.062402 3.760934 BFGS: 94 15:19:19 397.376223 3.754663 BFGS: 95 15:19:21 396.689738 3.748386 BFGS: 96 15:19:22 396.002979 3.742103 BFGS: 97 15:19:23 395.315980 3.735815 BFGS: 98 15:19:24 394.628777 3.729521 BFGS: 99 15:19:27 393.941407 3.723221 BFGS: 100 15:19:28 393.253906 3.716916 BFGS: 101 15:19:29 392.566314 3.710604 BFGS: 102 15:19:30 391.878670 3.704286 BFGS: 103 15:19:31 391.191016 3.697962 BFGS: 104 15:19:31 390.503393 3.691631 BFGS: 105 15:19:34 389.815845 3.685295 BFGS: 106 15:19:36 389.128417 3.678952 BFGS: 107 15:19:36 388.441153 3.672603 BFGS: 108 15:19:37 387.754101 3.666248 BFGS: 109 15:19:38 387.067308 3.659887 BFGS: 110 15:19:39 386.380823 3.653520 BFGS: 111 15:19:39 385.694694 3.647147 BFGS: 112 15:19:40 385.008974 3.640768 BFGS: 113 15:19:41 384.323712 3.634383 BFGS: 114 15:19:42 383.638962 3.627993 BFGS: 115 15:19:42 382.954775 3.621597 BFGS: 116 15:19:43 382.271206 3.615196 BFGS: 117 15:19:45 381.588307 3.608789 BFGS: 118 15:19:46 380.906135 3.602378 BFGS: 119 15:19:47 380.224744 3.595961 BFGS: 120 15:19:47 379.544189 3.589540 BFGS: 121 15:19:48 378.864525 3.583114 BFGS: 122 15:19:49 378.185809 3.576684 BFGS: 123 15:19:50 377.508096 3.570251 BFGS: 124 15:19:50 376.831442 3.563813 BFGS: 125 15:19:51 376.155903 3.557371 BFGS: 126 15:19:52 375.481534 3.550927 BFGS: 127 15:19:52 374.808391 3.544479 BFGS: 128 15:19:53 374.136528 3.538029 BFGS: 129 15:19:55 373.466000 3.531576 BFGS: 130 15:19:56 372.796847 3.525326 BFGS: 131 15:19:56 372.129077 3.519172 BFGS: 132 15:19:57 371.462738 3.513017 BFGS: 133 15:19:58 370.797882 3.506860 BFGS: 134 15:19:58 370.134560 3.500702 BFGS: 135 15:19:59 369.472821 3.494544 BFGS: 136 15:20:00 368.812714 3.488385 BFGS: 137 15:20:01 368.154287 3.482227 BFGS: 138 15:20:01 367.497585 3.476069 BFGS: 139 15:20:02 366.842653 3.469911 BFGS: 140 15:20:03 366.189537 3.463755 BFGS: 141 15:20:04 365.538277 3.457599 BFGS: 142 15:20:05 364.888915 3.451445 BFGS: 143 15:20:05 364.241490 3.445293 BFGS: 144 15:20:06 363.596041 3.439144 BFGS: 145 15:20:07 362.952603 3.432996 BFGS: 146 15:20:07 362.311212 3.426852 BFGS: 147 15:20:08 361.671901 3.420711 BFGS: 148 15:20:09 361.034700 3.414573 BFGS: 149 15:20:09 360.399641 3.408439 BFGS: 150 15:20:11 359.766751 3.402309 BFGS: 151 15:20:12 359.136056 3.396183 BFGS: 152 15:20:12 358.507580 3.390062 BFGS: 153 15:20:13 357.881269 3.384426 BFGS: 154 15:20:14 357.256801 3.379207 BFGS: 155 15:20:15 356.634227 3.374211 BFGS: 156 15:20:16 356.013622 3.369210 BFGS: 157 15:20:16 355.395014 3.364203 BFGS: 158 15:20:17 354.778428 3.359191 BFGS: 159 15:20:17 354.163887 3.354173 BFGS: 160 15:20:18 353.551411 3.349149 BFGS: 161 15:20:19 352.941022 3.344120 BFGS: 162 15:20:19 352.332735 3.339087 BFGS: 163 15:20:20 351.726569 3.334048 BFGS: 164 15:20:21 351.122536 3.329005 BFGS: 165 15:20:22 350.520650 3.323957 BFGS: 166 15:20:23 349.920922 3.318904 BFGS: 167 15:20:24 349.323362 3.313848 BFGS: 168 15:20:24 348.727976 3.308787 BFGS: 169 15:20:25 348.134772 3.303722 BFGS: 170 15:20:26 347.543755 3.298654 BFGS: 171 15:20:26 346.954927 3.293582 BFGS: 172 15:20:27 346.368291 3.288507 BFGS: 173 15:20:28 345.783847 3.283428 BFGS: 174 15:20:28 345.201594 3.278346 BFGS: 175 15:20:29 344.621531 3.273262 BFGS: 176 15:20:30 344.043654 3.268174 BFGS: 177 15:20:30 343.467959 3.263084 BFGS: 178 15:20:31 342.894439 3.257992 BFGS: 179 15:20:31 342.323089 3.252897 BFGS: 180 15:20:32 341.753900 3.247800 BFGS: 181 15:20:33 341.186863 3.242702 BFGS: 182 15:20:33 340.621970 3.237601 BFGS: 183 15:20:34 340.059209 3.232499 BFGS: 184 15:20:35 339.498570 3.227396 BFGS: 185 15:20:37 338.940039 3.222291 BFGS: 186 15:20:38 338.383604 3.217185 BFGS: 187 15:20:39 337.829252 3.212078 BFGS: 188 15:20:39 337.276968 3.206970 BFGS: 189 15:20:41 336.726737 3.201862 BFGS: 190 15:20:41 336.178544 3.196753 BFGS: 191 15:20:42 335.632373 3.191643 BFGS: 192 15:20:43 335.088208 3.186533 BFGS: 193 15:20:43 334.546032 3.181423 BFGS: 194 15:20:44 334.005828 3.176313 BFGS: 195 15:20:44 333.467578 3.171203 BFGS: 196 15:20:45 332.931265 3.166093 BFGS: 197 15:20:46 332.396871 3.160984 BFGS: 198 15:20:46 331.864377 3.155875 BFGS: 199 15:20:47 331.333765 3.150767 BFGS: 200 15:20:47 330.805017 3.145659 BFGS: 201 15:20:48 330.278111 3.140643 BFGS: 202 15:20:49 329.753031 3.135717 BFGS: 203 15:20:50 329.229766 3.130792 BFGS: 204 15:20:51 328.708297 3.125868 BFGS: 205 15:20:52 328.188603 3.120945 BFGS: 206 15:20:53 327.670665 3.116024 BFGS: 207 15:20:53 327.154465 3.111104 BFGS: 208 15:20:54 326.639982 3.106186 BFGS: 209 15:20:55 326.127198 3.101269 BFGS: 210 15:20:56 325.616093 3.096354 BFGS: 211 15:20:57 325.106649 3.091440 BFGS: 212 15:20:58 324.598846 3.086529 BFGS: 213 15:20:58 324.092666 3.081620 BFGS: 214 15:20:59 323.588090 3.076713 BFGS: 215 15:20:59 323.085101 3.071808 BFGS: 216 15:21:01 322.583679 3.066905 BFGS: 217 15:21:02 322.083806 3.062005 BFGS: 218 15:21:03 321.585465 3.057107 BFGS: 219 15:21:04 321.088639 3.052211 BFGS: 220 15:21:04 320.593309 3.047318 BFGS: 221 15:21:05 320.099452 3.042571 BFGS: 222 15:21:05 319.607003 3.037936 BFGS: 223 15:21:07 319.115933 3.033303 BFGS: 224 15:21:07 318.626226 3.028672 BFGS: 225 15:21:08 318.137868 3.024044 BFGS: 226 15:21:09 317.650843 3.019418 BFGS: 227 15:21:09 317.165137 3.014794 BFGS: 228 15:21:11 316.680736 3.010174 BFGS: 229 15:21:12 316.197626 3.005556 BFGS: 230 15:21:14 315.715792 3.000941 BFGS: 231 15:21:16 315.235220 2.996329 BFGS: 232 15:21:16 314.755898 2.991719 BFGS: 233 15:21:17 314.277812 2.987113 BFGS: 234 15:21:18 313.800949 2.982510 BFGS: 235 15:21:18 313.325296 2.977910 BFGS: 236 15:21:19 312.850841 2.973313 BFGS: 237 15:21:20 312.377571 2.968719 BFGS: 238 15:21:21 311.905474 2.964129 BFGS: 239 15:21:22 311.434539 2.959542 BFGS: 240 15:21:23 310.964753 2.954959 BFGS: 241 15:21:23 310.496105 2.950378 BFGS: 242 15:21:24 310.028584 2.945802 BFGS: 243 15:21:25 309.562180 2.941229 BFGS: 244 15:21:26 309.096881 2.936659 BFGS: 245 15:21:26 308.632676 2.932094 BFGS: 246 15:21:27 308.169557 2.927531 BFGS: 247 15:21:28 307.707512 2.922973 BFGS: 248 15:21:29 307.246532 2.918418 BFGS: 249 15:21:30 306.786607 2.913867 BFGS: 250 15:21:31 306.327729 2.909320 BFGS: 251 15:21:32 305.869887 2.904777 BFGS: 252 15:21:34 305.413072 2.900237 BFGS: 253 15:21:35 304.957277 2.895702 BFGS: 254 15:21:36 304.502493 2.891170 BFGS: 255 15:21:38 304.048710 2.886643 BFGS: 256 15:21:40 303.595922 2.882119 BFGS: 257 15:21:41 303.144120 2.877599 BFGS: 258 15:21:43 302.693296 2.873084 BFGS: 259 15:21:44 302.243443 2.868572 BFGS: 260 15:21:45 301.794554 2.864065 BFGS: 261 15:21:47 301.346621 2.859561 BFGS: 262 15:21:50 300.899638 2.855062 BFGS: 263 15:21:51 300.453596 2.850567 BFGS: 264 15:21:51 300.008491 2.846076 BFGS: 265 15:21:53 299.564315 2.841589 BFGS: 266 15:21:55 299.121062 2.837107 BFGS: 267 15:21:56 298.678725 2.832629 BFGS: 268 15:21:58 298.237300 2.828155 BFGS: 269 15:21:59 297.796779 2.823685 BFGS: 270 15:22:00 297.357157 2.819220 BFGS: 271 15:22:01 296.918429 2.814758 BFGS: 272 15:22:01 296.480589 2.810302 BFGS: 273 15:22:02 296.043632 2.805849 BFGS: 274 15:22:03 295.607553 2.801401 BFGS: 275 15:22:04 295.172346 2.796957 BFGS: 276 15:22:05 294.738007 2.792518 BFGS: 277 15:22:05 294.304531 2.788083 BFGS: 278 15:22:08 293.871913 2.783653 BFGS: 279 15:22:10 293.440149 2.779227 BFGS: 280 15:22:11 293.009235 2.774805 BFGS: 281 15:22:11 292.579165 2.770388 BFGS: 282 15:22:12 292.149936 2.765975 BFGS: 283 15:22:12 291.721543 2.761567 BFGS: 284 15:22:13 291.293984 2.757163 BFGS: 285 15:22:14 290.867253 2.752764 BFGS: 286 15:22:15 290.441347 2.748370 BFGS: 287 15:22:16 290.016262 2.743979 BFGS: 288 15:22:17 289.591995 2.739594 BFGS: 289 15:22:18 289.168543 2.735213 BFGS: 290 15:22:18 288.745900 2.730836 BFGS: 291 15:22:19 288.324066 2.726464 BFGS: 292 15:22:20 287.903035 2.722097 BFGS: 293 15:22:21 287.482805 2.717734 BFGS: 294 15:22:22 287.063373 2.713376 BFGS: 295 15:22:23 286.644735 2.709022 BFGS: 296 15:22:24 286.226890 2.704673 BFGS: 297 15:22:25 285.809833 2.700329 BFGS: 298 15:22:27 285.393562 2.695989 BFGS: 299 15:22:28 284.978074 2.691654 BFGS: 300 15:22:29 284.563367 2.687323 BFGS: 301 15:22:30 284.149438 2.682997 BFGS: 302 15:22:31 283.736284 2.678676 BFGS: 303 15:22:32 283.323903 2.674359 BFGS: 304 15:22:33 282.912292 2.670047 BFGS: 305 15:22:34 282.501450 2.665740 BFGS: 306 15:22:35 282.091372 2.661437 BFGS: 307 15:22:36 281.682057 2.657205 BFGS: 308 15:22:37 281.273461 2.653117 BFGS: 309 15:22:38 280.865543 2.649034 BFGS: 310 15:22:39 280.458298 2.644958 BFGS: 311 15:22:42 280.051726 2.640886 BFGS: 312 15:22:45 279.645824 2.636820 BFGS: 313 15:22:47 279.240589 2.632760 BFGS: 314 15:22:48 278.836020 2.628705 BFGS: 315 15:22:50 278.432115 2.624656 BFGS: 316 15:22:51 278.028872 2.620612 BFGS: 317 15:22:52 277.626288 2.616573 BFGS: 318 15:22:53 277.224363 2.612540 BFGS: 319 15:22:54 276.823094 2.608512 BFGS: 320 15:22:55 276.422479 2.604490 BFGS: 321 15:22:56 276.022517 2.600473 BFGS: 322 15:22:56 275.623206 2.596461 BFGS: 323 15:22:57 275.224544 2.592454 BFGS: 324 15:22:58 274.826530 2.588453 BFGS: 325 15:22:59 274.429162 2.584458 BFGS: 326 15:23:00 274.032439 2.580467 BFGS: 327 15:23:01 273.636359 2.576482 BFGS: 328 15:23:02 273.240920 2.572502 BFGS: 329 15:23:02 272.846122 2.568528 BFGS: 330 15:23:03 272.451963 2.564559 BFGS: 331 15:23:04 272.058442 2.560594 BFGS: 332 15:23:04 271.665557 2.556636 BFGS: 333 15:23:06 271.273306 2.552682 BFGS: 334 15:23:06 270.881690 2.548733 BFGS: 335 15:23:07 270.490705 2.544790 BFGS: 336 15:23:07 270.100353 2.540852 BFGS: 337 15:23:08 269.710630 2.536919 BFGS: 338 15:23:09 269.321536 2.532991 BFGS: 339 15:23:10 268.933070 2.529068 BFGS: 340 15:23:10 268.545231 2.525150 BFGS: 341 15:23:11 268.158017 2.521238 BFGS: 342 15:23:12 267.771428 2.517330 BFGS: 343 15:23:13 267.385463 2.513428 BFGS: 344 15:23:14 267.000120 2.509530 BFGS: 345 15:23:15 266.615399 2.505638 BFGS: 346 15:23:17 266.231299 2.501751 BFGS: 347 15:23:17 265.847818 2.497868 BFGS: 348 15:23:18 265.464956 2.493991 BFGS: 349 15:23:19 265.082712 2.490118 BFGS: 350 15:23:20 264.701084 2.486251 BFGS: 351 15:23:20 264.320073 2.482389 BFGS: 352 15:23:21 263.939677 2.478531 BFGS: 353 15:23:21 263.559895 2.474678 BFGS: 354 15:23:22 263.180727 2.470831 BFGS: 355 15:23:23 262.802172 2.466988 BFGS: 356 15:23:23 262.424228 2.463150 BFGS: 357 15:23:23 262.046895 2.459317 BFGS: 358 15:23:24 261.670173 2.455488 BFGS: 359 15:23:24 261.294060 2.451665 BFGS: 360 15:23:25 260.918555 2.447846 BFGS: 361 15:23:26 260.543659 2.444033 BFGS: 362 15:23:27 260.169370 2.440224 BFGS: 363 15:23:28 259.795687 2.436420 BFGS: 364 15:23:28 259.422610 2.432620 BFGS: 365 15:23:29 259.050138 2.428826 BFGS: 366 15:23:29 258.678270 2.425036 BFGS: 367 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1.269473 BFGS: 801 15:29:03 142.211486 1.267699 BFGS: 802 15:29:03 142.017256 1.265926 BFGS: 803 15:29:04 141.823285 1.264154 BFGS: 804 15:29:04 141.629573 1.262385 BFGS: 805 15:29:05 141.436120 1.260617 BFGS: 806 15:29:06 141.242926 1.258851 BFGS: 807 15:29:06 141.049990 1.257087 BFGS: 808 15:29:07 140.857314 1.255324 BFGS: 809 15:29:07 140.664895 1.253563 BFGS: 810 15:29:08 140.472736 1.251804 BFGS: 811 15:29:09 140.280834 1.250047 BFGS: 812 15:29:10 140.089191 1.248291 BFGS: 813 15:29:11 139.897806 1.246537 BFGS: 814 15:29:12 139.706679 1.244785 BFGS: 815 15:29:13 139.515810 1.243034 BFGS: 816 15:29:13 139.325199 1.241285 BFGS: 817 15:29:14 139.134846 1.239538 BFGS: 818 15:29:15 138.944750 1.237792 BFGS: 819 15:29:15 138.754911 1.236048 BFGS: 820 15:29:17 138.565330 1.234306 BFGS: 821 15:29:17 138.376006 1.232565 BFGS: 822 15:29:18 138.186939 1.230826 BFGS: 823 15:29:19 137.998129 1.229089 BFGS: 824 15:29:19 137.809576 1.227353 BFGS: 825 15:29:20 137.621280 1.225619 BFGS: 826 15:29:21 137.433240 1.223887 BFGS: 827 15:29:21 137.245457 1.222157 BFGS: 828 15:29:21 137.057930 1.220428 BFGS: 829 15:29:22 136.870659 1.218700 BFGS: 830 15:29:23 136.683645 1.216975 BFGS: 831 15:29:24 136.496886 1.215251 BFGS: 832 15:29:24 136.310383 1.213528 BFGS: 833 15:29:25 136.124136 1.211807 BFGS: 834 15:29:25 135.938145 1.210088 BFGS: 835 15:29:26 135.752408 1.208371 BFGS: 836 15:29:26 135.566928 1.206655 BFGS: 837 15:29:27 135.381702 1.204941 BFGS: 838 15:29:27 135.196732 1.203228 BFGS: 839 15:29:28 135.012016 1.201517 BFGS: 840 15:29:28 134.827555 1.199808 BFGS: 841 15:29:29 134.643349 1.198100 BFGS: 842 15:29:30 134.459397 1.196394 BFGS: 843 15:29:30 134.275700 1.194690 BFGS: 844 15:29:30 134.092256 1.192987 BFGS: 845 15:29:30 133.909067 1.191286 BFGS: 846 15:29:30 133.726132 1.189586 BFGS: 847 15:29:31 133.543451 1.187888 BFGS: 848 15:29:31 133.361023 1.186191 BFGS: 849 15:29:31 133.178849 1.184496 BFGS: 850 15:29:31 132.996928 1.182803 BFGS: 851 15:29:32 132.815260 1.181111 BFGS: 852 15:29:32 132.633846 1.179421 BFGS: 853 15:29:33 132.452684 1.177733 BFGS: 854 15:29:33 132.271775 1.176046 BFGS: 855 15:29:34 132.091119 1.174361 BFGS: 856 15:29:34 131.910715 1.172677 BFGS: 857 15:29:37 131.730564 1.170995 BFGS: 858 15:29:38 131.550664 1.169314 BFGS: 859 15:29:41 131.371017 1.167635 BFGS: 860 15:29:42 131.191622 1.165957 BFGS: 861 15:29:43 131.012478 1.164281 BFGS: 862 15:29:43 130.833586 1.162607 BFGS: 863 15:29:44 130.654940 1.161037 BFGS: 864 15:29:45 130.476537 1.159484 BFGS: 865 15:29:47 130.298379 1.157932 BFGS: 866 15:29:48 130.120464 1.156382 BFGS: 867 15:29:49 129.942792 1.154833 BFGS: 868 15:29:49 129.765363 1.153285 BFGS: 869 15:29:50 129.588176 1.151739 BFGS: 870 15:29:51 129.411231 1.150195 BFGS: 871 15:29:52 129.234527 1.148651 BFGS: 872 15:29:52 129.058065 1.147110 BFGS: 873 15:29:53 128.881843 1.145569 BFGS: 874 15:29:54 128.705862 1.144030 BFGS: 875 15:29:55 128.530120 1.142493 BFGS: 876 15:29:56 128.354618 1.140957 BFGS: 877 15:29:57 128.179356 1.139422 BFGS: 878 15:29:57 128.004333 1.137889 BFGS: 879 15:29:58 127.829548 1.136357 BFGS: 880 15:29:59 127.655002 1.134827 BFGS: 881 15:29:59 127.480694 1.133298 BFGS: 882 15:30:00 127.306624 1.131770 BFGS: 883 15:30:01 127.132791 1.130244 BFGS: 884 15:30:01 126.959195 1.128719 BFGS: 885 15:30:02 126.785837 1.127195 BFGS: 886 15:30:02 126.612715 1.125673 BFGS: 887 15:30:03 126.439830 1.124152 BFGS: 888 15:30:04 126.267180 1.122633 BFGS: 889 15:30:04 126.094767 1.121115 BFGS: 890 15:30:05 125.922590 1.119598 BFGS: 891 15:30:05 125.750647 1.118082 BFGS: 892 15:30:06 125.578940 1.116568 BFGS: 893 15:30:07 125.407468 1.115056 BFGS: 894 15:30:07 125.236231 1.113544 BFGS: 895 15:30:07 125.065228 1.112034 BFGS: 896 15:30:09 124.894459 1.110525 BFGS: 897 15:30:10 124.723925 1.109018 BFGS: 898 15:30:11 124.553624 1.107512 BFGS: 899 15:30:12 124.383556 1.106007 BFGS: 900 15:30:12 124.213722 1.104504 BFGS: 901 15:30:14 124.044121 1.103002 BFGS: 902 15:30:16 123.874752 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15:31:26 111.516196 0.989765 BFGS: 980 15:31:27 111.364360 0.988361 BFGS: 981 15:31:27 111.212742 0.986960 BFGS: 982 15:31:28 111.061341 0.985559 BFGS: 983 15:31:29 110.910156 0.984159 BFGS: 984 15:31:30 110.759189 0.982761 BFGS: 985 15:31:31 110.608437 0.981364 BFGS: 986 15:31:32 110.457902 0.979968 BFGS: 987 15:31:33 110.307583 0.978573 BFGS: 988 15:31:34 110.157480 0.977180 BFGS: 989 15:31:36 110.007593 0.975787 BFGS: 990 15:31:37 109.857921 0.974396 BFGS: 991 15:31:37 109.708464 0.973006 BFGS: 992 15:31:38 109.559223 0.971617 BFGS: 993 15:31:38 109.410196 0.970229 BFGS: 994 15:31:40 109.261384 0.968843 BFGS: 995 15:31:41 109.112787 0.967457 BFGS: 996 15:31:42 108.964405 0.966073 BFGS: 997 15:31:42 108.816236 0.964690 BFGS: 998 15:31:43 108.668282 0.963308 BFGS: 999 15:31:44 108.520541 0.961928 BFGS: 1000 15:31:45 108.373014 0.960548 BFGS: 1001 15:31:45 108.225701 0.959170 BFGS: 1002 15:31:46 108.078601 0.957793 BFGS: 1003 15:31:47 107.931714 0.956417 BFGS: 1004 15:31:48 107.785040 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0.134352 BFGS: 2900 15:54:19 4.452247 0.134258 BFGS: 2901 15:54:19 4.438097 0.134163 BFGS: 2902 15:54:20 4.423968 0.134068 BFGS: 2903 15:54:20 4.409861 0.133973 BFGS: 2904 15:54:21 4.395776 0.133878 BFGS: 2905 15:54:21 4.381712 0.133783 BFGS: 2906 15:54:22 4.367671 0.133688 BFGS: 2907 15:54:22 4.353651 0.133592 BFGS: 2908 15:54:23 4.339653 0.133496 BFGS: 2909 15:54:23 4.325677 0.133401 BFGS: 2910 15:54:24 4.311722 0.133305 BFGS: 2911 15:54:24 4.297790 0.133208 BFGS: 2912 15:54:25 4.283879 0.133112 BFGS: 2913 15:54:26 4.269990 0.133016 BFGS: 2914 15:54:27 4.256123 0.132919 BFGS: 2915 15:54:28 4.242278 0.132823 BFGS: 2916 15:54:29 4.228455 0.132726 BFGS: 2917 15:54:29 4.214653 0.132629 BFGS: 2918 15:54:30 4.200874 0.132531 BFGS: 2919 15:54:30 4.187116 0.132434 BFGS: 2920 15:54:31 4.173380 0.132337 BFGS: 2921 15:54:32 4.159666 0.132239 BFGS: 2922 15:54:32 4.145974 0.132141 BFGS: 2923 15:54:33 4.132304 0.132043 BFGS: 2924 15:54:33 4.118656 0.131945 BFGS: 2925 15:54:34 4.105029 0.131847 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15:54:48 3.745430 0.129141 BFGS: 2953 15:54:49 3.732421 0.129039 BFGS: 2954 15:54:49 3.719433 0.128937 BFGS: 2955 15:54:50 3.706468 0.128834 BFGS: 2956 15:54:50 3.693524 0.128731 BFGS: 2957 15:54:50 3.680603 0.128629 BFGS: 2958 15:54:51 3.667704 0.128526 BFGS: 2959 15:54:51 3.654827 0.128423 BFGS: 2960 15:54:52 3.641972 0.128319 BFGS: 2961 15:54:52 3.629140 0.128216 BFGS: 2962 15:54:52 3.616330 0.128112 BFGS: 2963 15:54:53 3.603541 0.128009 BFGS: 2964 15:54:53 3.590775 0.127905 BFGS: 2965 15:54:54 3.578032 0.127801 BFGS: 2966 15:54:54 3.565310 0.127697 BFGS: 2967 15:54:55 3.552611 0.127593 BFGS: 2968 15:54:55 3.539934 0.127488 BFGS: 2969 15:54:56 3.527279 0.127384 BFGS: 2970 15:54:56 3.514646 0.127279 BFGS: 2971 15:54:57 3.502036 0.127174 BFGS: 2972 15:54:58 3.489447 0.127069 BFGS: 2973 15:54:58 3.476881 0.126964 BFGS: 2974 15:54:59 3.464338 0.126859 BFGS: 2975 15:54:59 3.451816 0.126753 BFGS: 2976 15:55:00 3.439317 0.126648 BFGS: 2977 15:55:01 3.426841 0.126542 BFGS: 2978 15:55:01 3.414386 0.126436 BFGS: 2979 15:55:01 3.401954 0.126330 BFGS: 2980 15:55:02 3.389544 0.126224 BFGS: 2981 15:55:03 3.377156 0.126118 BFGS: 2982 15:55:03 3.364791 0.126012 BFGS: 2983 15:55:04 3.352448 0.125905 BFGS: 2984 15:55:04 3.340127 0.125799 BFGS: 2985 15:55:05 3.327829 0.125692 BFGS: 2986 15:55:05 3.315553 0.125585 BFGS: 2987 15:55:06 3.303300 0.125478 BFGS: 2988 15:55:07 3.291068 0.125370 BFGS: 2989 15:55:07 3.278859 0.125263 BFGS: 2990 15:55:07 3.266673 0.125155 BFGS: 2991 15:55:08 3.254509 0.125048 BFGS: 2992 15:55:09 3.242367 0.124940 BFGS: 2993 15:55:10 3.230248 0.124832 BFGS: 2994 15:55:10 3.218151 0.124724 BFGS: 2995 15:55:11 3.206076 0.124616 BFGS: 2996 15:55:12 3.194024 0.124507 BFGS: 2997 15:55:13 3.181995 0.124399 BFGS: 2998 15:55:14 3.169988 0.124290 BFGS: 2999 15:55:15 3.158003 0.124181 BFGS: 3000 15:55:16 3.146040 0.124072 BFGS: 3001 15:55:17 3.134101 0.123963 BFGS: 3002 15:55:17 3.122183 0.123854 BFGS: 3003 15:55:18 3.110288 0.123745 BFGS: 3004 15:55:18 3.098416 0.123635 BFGS: 3005 15:55:19 3.086566 0.123525 BFGS: 3006 15:55:19 3.074738 0.123416 BFGS: 3007 15:55:20 3.062933 0.123306 BFGS: 3008 15:55:20 3.051151 0.123196 BFGS: 3009 15:55:20 3.039391 0.123085 BFGS: 3010 15:55:21 3.027653 0.122975 BFGS: 3011 15:55:21 3.015938 0.122864 BFGS: 3012 15:55:22 3.004246 0.122754 BFGS: 3013 15:55:23 2.992576 0.122643 BFGS: 3014 15:55:24 2.980929 0.122532 BFGS: 3015 15:55:24 2.969304 0.122421 BFGS: 3016 15:55:25 2.957702 0.122310 BFGS: 3017 15:55:26 2.946122 0.122198 BFGS: 3018 15:55:27 2.934565 0.122087 BFGS: 3019 15:55:28 2.923030 0.121975 BFGS: 3020 15:55:29 2.911518 0.121863 BFGS: 3021 15:55:29 2.900029 0.121751 BFGS: 3022 15:55:30 2.888562 0.121639 BFGS: 3023 15:55:30 2.877118 0.121527 BFGS: 3024 15:55:30 2.865696 0.121414 BFGS: 3025 15:55:31 2.854297 0.121302 BFGS: 3026 15:55:31 2.842921 0.121189 BFGS: 3027 15:55:31 2.831567 0.121076 BFGS: 3028 15:55:32 2.820236 0.120963 BFGS: 3029 15:55:33 2.808928 0.120850 BFGS: 3030 15:55:33 2.797642 0.120737 BFGS: 3031 15:55:34 2.786379 0.120624 BFGS: 3032 15:55:34 2.775139 0.120510 BFGS: 3033 15:55:35 2.763921 0.120396 BFGS: 3034 15:55:36 2.752726 0.120283 BFGS: 3035 15:55:36 2.741554 0.120169 BFGS: 3036 15:55:37 2.730404 0.120055 BFGS: 3037 15:55:37 2.719277 0.119940 BFGS: 3038 15:55:38 2.708173 0.119826 BFGS: 3039 15:55:39 2.697091 0.119711 BFGS: 3040 15:55:39 2.686032 0.119597 BFGS: 3041 15:55:40 2.674996 0.119482 BFGS: 3042 15:55:40 2.663983 0.119367 BFGS: 3043 15:55:41 2.652992 0.119252 BFGS: 3044 15:55:41 2.642024 0.119136 BFGS: 3045 15:55:42 2.631079 0.119021 BFGS: 3046 15:55:42 2.620157 0.118905 BFGS: 3047 15:55:43 2.609257 0.118790 BFGS: 3048 15:55:43 2.598380 0.118674 BFGS: 3049 15:55:43 2.587526 0.118558 BFGS: 3050 15:55:43 2.576695 0.118442 BFGS: 3051 15:55:44 2.565886 0.118325 BFGS: 3052 15:55:44 2.555101 0.118209 BFGS: 3053 15:55:45 2.544338 0.118092 BFGS: 3054 15:55:46 2.533598 0.117976 BFGS: 3055 15:55:47 2.522880 0.117859 BFGS: 3056 15:55:48 2.512186 0.117742 BFGS: 3057 15:55:50 2.501514 0.117624 BFGS: 3058 15:55:53 2.490866 0.117507 BFGS: 3059 15:55:55 2.480240 0.117390 BFGS: 3060 15:55:56 2.469637 0.117272 BFGS: 3061 15:55:57 2.459056 0.117154 BFGS: 3062 15:55:58 2.448499 0.117036 BFGS: 3063 15:55:59 2.437965 0.116918 BFGS: 3064 15:56:00 2.427453 0.116800 BFGS: 3065 15:56:01 2.416964 0.116682 BFGS: 3066 15:56:01 2.406498 0.116563 BFGS: 3067 15:56:02 2.396055 0.116445 BFGS: 3068 15:56:03 2.385635 0.116326 BFGS: 3069 15:56:04 2.375238 0.116207 BFGS: 3070 15:56:04 2.364864 0.116088 BFGS: 3071 15:56:05 2.354513 0.115968 BFGS: 3072 15:56:06 2.344184 0.115849 BFGS: 3073 15:56:07 2.333879 0.115730 BFGS: 3074 15:56:07 2.323596 0.115610 BFGS: 3075 15:56:08 2.313337 0.115490 BFGS: 3076 15:56:10 2.303100 0.115370 BFGS: 3077 15:56:12 2.292886 0.115250 BFGS: 3078 15:56:12 2.282696 0.115130 BFGS: 3079 15:56:13 2.272528 0.115009 BFGS: 3080 15:56:14 2.262383 0.114889 BFGS: 3081 15:56:14 2.252262 0.114768 BFGS: 3082 15:56:15 2.242163 0.114647 BFGS: 3083 15:56:15 2.232087 0.114526 BFGS: 3084 15:56:16 2.222034 0.114405 BFGS: 3085 15:56:16 2.212004 0.114283 BFGS: 3086 15:56:17 2.201998 0.114162 BFGS: 3087 15:56:18 2.192014 0.114040 BFGS: 3088 15:56:18 2.182053 0.113918 BFGS: 3089 15:56:18 2.172116 0.113797 BFGS: 3090 15:56:19 2.162201 0.113674 BFGS: 3091 15:56:20 2.152309 0.113552 BFGS: 3092 15:56:20 2.142441 0.113430 BFGS: 3093 15:56:21 2.132595 0.113307 BFGS: 3094 15:56:21 2.122773 0.113185 BFGS: 3095 15:56:22 2.112973 0.113062 BFGS: 3096 15:56:22 2.103197 0.112939 BFGS: 3097 15:56:23 2.093444 0.112816 BFGS: 3098 15:56:23 2.083714 0.112692 BFGS: 3099 15:56:25 2.074007 0.112569 BFGS: 3100 15:56:26 2.064323 0.112445 BFGS: 3101 15:56:27 2.054662 0.112321 BFGS: 3102 15:56:27 2.045024 0.112197 BFGS: 3103 15:56:28 2.035410 0.112073 BFGS: 3104 15:56:28 2.025818 0.111949 BFGS: 3105 15:56:29 2.016250 0.111825 BFGS: 3106 15:56:29 2.006704 0.111700 BFGS: 3107 15:56:30 1.997182 0.111576 BFGS: 3108 15:56:31 1.987683 0.111451 BFGS: 3109 15:56:31 1.978208 0.111326 BFGS: 3110 15:56:31 1.968755 0.111201 BFGS: 3111 15:56:32 1.959325 0.111075 BFGS: 3112 15:56:32 1.949919 0.110950 BFGS: 3113 15:56:33 1.940536 0.110824 BFGS: 3114 15:56:33 1.931176 0.110698 BFGS: 3115 15:56:33 1.921839 0.110572 BFGS: 3116 15:56:34 1.912525 0.110446 BFGS: 3117 15:56:35 1.903235 0.110320 BFGS: 3118 15:56:35 1.893968 0.110194 BFGS: 3119 15:56:35 1.884724 0.110067 BFGS: 3120 15:56:36 1.875503 0.109940 BFGS: 3121 15:56:37 1.866305 0.109813 BFGS: 3122 15:56:37 1.857131 0.109686 BFGS: 3123 15:56:38 1.847980 0.109559 BFGS: 3124 15:56:38 1.838852 0.109432 BFGS: 3125 15:56:39 1.829747 0.109304 BFGS: 3126 15:56:40 1.820666 0.109177 BFGS: 3127 15:56:40 1.811607 0.109049 BFGS: 3128 15:56:40 1.802572 0.108921 BFGS: 3129 15:56:41 1.793561 0.108793 BFGS: 3130 15:56:42 1.784572 0.108664 BFGS: 3131 15:56:42 1.775607 0.108536 BFGS: 3132 15:56:43 1.766665 0.108407 BFGS: 3133 15:56:44 1.757747 0.108278 BFGS: 3134 15:56:44 1.748851 0.108149 BFGS: 3135 15:56:45 1.739979 0.108020 BFGS: 3136 15:56:45 1.731131 0.107891 BFGS: 3137 15:56:46 1.722305 0.107762 BFGS: 3138 15:56:46 1.713503 0.107632 BFGS: 3139 15:56:47 1.704724 0.107502 BFGS: 3140 15:56:47 1.695969 0.107372 BFGS: 3141 15:56:48 1.687237 0.107242 BFGS: 3142 15:56:48 1.678528 0.107112 BFGS: 3143 15:56:49 1.669842 0.106981 BFGS: 3144 15:56:49 1.661180 0.106851 BFGS: 3145 15:56:50 1.652541 0.106720 BFGS: 3146 15:56:50 1.643926 0.106589 BFGS: 3147 15:56:51 1.635333 0.106458 BFGS: 3148 15:56:51 1.626765 0.106327 BFGS: 3149 15:56:52 1.618219 0.106195 BFGS: 3150 15:56:52 1.609697 0.106064 BFGS: 3151 15:56:53 1.601198 0.105932 BFGS: 3152 15:56:53 1.592723 0.105800 BFGS: 3153 15:56:54 1.584271 0.105668 BFGS: 3154 15:56:54 1.575842 0.105536 BFGS: 3155 15:56:55 1.567437 0.105403 BFGS: 3156 15:56:56 1.559055 0.105271 BFGS: 3157 15:56:56 1.550697 0.105138 BFGS: 3158 15:56:57 1.542362 0.105005 BFGS: 3159 15:56:57 1.534050 0.104872 BFGS: 3160 15:56:58 1.525762 0.104739 BFGS: 3161 15:56:59 1.517498 0.104605 BFGS: 3162 15:56:59 1.509256 0.104472 BFGS: 3163 15:57:00 1.501038 0.104338 BFGS: 3164 15:57:00 1.492844 0.104204 BFGS: 3165 15:57:01 1.484673 0.104070 BFGS: 3166 15:57:01 1.476525 0.103936 BFGS: 3167 15:57:02 1.468401 0.103801 BFGS: 3168 15:57:02 1.460300 0.103667 BFGS: 3169 15:57:04 1.452223 0.103532 BFGS: 3170 15:57:05 1.444169 0.103397 BFGS: 3171 15:57:06 1.436139 0.103262 BFGS: 3172 15:57:07 1.428132 0.103127 BFGS: 3173 15:57:08 1.420148 0.102991 BFGS: 3174 15:57:08 1.412189 0.102855 BFGS: 3175 15:57:10 1.404252 0.102720 BFGS: 3176 15:57:11 1.396339 0.102584 BFGS: 3177 15:57:12 1.388450 0.102448 BFGS: 3178 15:57:14 1.380584 0.102311 BFGS: 3179 15:57:14 1.372741 0.102175 BFGS: 3180 15:57:15 1.364922 0.102038 BFGS: 3181 15:57:16 1.357127 0.101901 BFGS: 3182 15:57:17 1.349355 0.101764 BFGS: 3183 15:57:17 1.341606 0.101627 BFGS: 3184 15:57:18 1.333881 0.101489 BFGS: 3185 15:57:19 1.326180 0.101352 BFGS: 3186 15:57:21 1.318502 0.101214 BFGS: 3187 15:57:23 1.310847 0.101076 BFGS: 3188 15:57:25 1.303216 0.100938 BFGS: 3189 15:57:27 1.295609 0.100800 BFGS: 3190 15:57:29 1.288025 0.100661 BFGS: 3191 15:57:32 1.280465 0.100523 BFGS: 3192 15:57:34 1.272928 0.100384 BFGS: 3193 15:57:36 1.265415 0.100245 BFGS: 3194 15:57:38 1.257926 0.100106 BFGS: 3195 15:57:40 1.250460 0.099966 BFGS: 3196 15:57:41 1.243017 0.099827 BFGS: 3197 15:57:41 1.235598 0.099687 BFGS: 3198 15:57:42 1.228203 0.099547 BFGS: 3199 15:57:43 1.220831 0.099407 BFGS: 3200 15:57:44 1.213483 0.099267 BFGS: 3201 15:57:46 1.206158 0.099126 BFGS: 3202 15:57:47 1.198857 0.098986 BFGS: 3203 15:57:50 1.191580 0.098845 BFGS: 3204 15:57:52 1.184326 0.098704 BFGS: 3205 15:57:55 1.177095 0.098562 BFGS: 3206 15:57:57 1.169889 0.098421 BFGS: 3207 15:57:58 1.162706 0.098280 BFGS: 3208 15:57:59 1.155546 0.098138 BFGS: 3209 15:58:01 1.148410 0.097996 BFGS: 3210 15:58:02 1.141298 0.097854 BFGS: 3211 15:58:03 1.134209 0.097711 BFGS: 3212 15:58:03 1.127144 0.097569 BFGS: 3213 15:58:04 1.120103 0.097426 BFGS: 3214 15:58:05 1.113085 0.097283 BFGS: 3215 15:58:08 1.106091 0.097140 BFGS: 3216 15:58:11 1.099120 0.096997 BFGS: 3217 15:58:12 1.092173 0.096853 BFGS: 3218 15:58:14 1.085250 0.096710 BFGS: 3219 15:58:17 1.078351 0.096566 BFGS: 3220 15:58:19 1.071474 0.096422 BFGS: 3221 15:58:20 1.064622 0.096278 BFGS: 3222 15:58:21 1.057793 0.096133 BFGS: 3223 15:58:21 1.050988 0.095989 BFGS: 3224 15:58:22 1.044207 0.095844 BFGS: 3225 15:58:23 1.037449 0.095699 BFGS: 3226 15:58:24 1.030715 0.095554 BFGS: 3227 15:58:25 1.024005 0.095408 BFGS: 3228 15:58:26 1.017318 0.095263 BFGS: 3229 15:58:27 1.010655 0.095117 BFGS: 3230 15:58:27 1.004015 0.094971 BFGS: 3231 15:58:29 0.997399 0.094825 BFGS: 3232 15:58:30 0.990807 0.094678 BFGS: 3233 15:58:31 0.984239 0.094532 BFGS: 3234 15:58:33 0.977694 0.094385 BFGS: 3235 15:58:34 0.971173 0.094238 BFGS: 3236 15:58:35 0.964676 0.094091 BFGS: 3237 15:58:36 0.958202 0.093943 BFGS: 3238 15:58:38 0.951752 0.093796 BFGS: 3239 15:58:40 0.945326 0.093648 BFGS: 3240 15:58:41 0.938923 0.093500 BFGS: 3241 15:58:44 0.932544 0.093352 BFGS: 3242 15:58:45 0.926189 0.093204 BFGS: 3243 15:58:46 0.919857 0.093055 BFGS: 3244 15:58:47 0.913549 0.092906 BFGS: 3245 15:58:49 0.907265 0.092757 BFGS: 3246 15:58:50 0.901005 0.092608 BFGS: 3247 15:58:51 0.894768 0.092459 BFGS: 3248 15:58:52 0.888555 0.092309 BFGS: 3249 15:58:52 0.882365 0.092159 BFGS: 3250 15:58:52 0.876200 0.092009 BFGS: 3251 15:58:53 0.870058 0.091859 BFGS: 3252 15:58:53 0.863940 0.091708 BFGS: 3253 15:58:53 0.857845 0.091558 BFGS: 3254 15:58:53 0.851774 0.091407 BFGS: 3255 15:58:54 0.845727 0.091256 BFGS: 3256 15:58:54 0.839704 0.091104 BFGS: 3257 15:58:55 0.833704 0.090953 BFGS: 3258 15:58:55 0.827729 0.090801 BFGS: 3259 15:58:56 0.821776 0.090649 BFGS: 3260 15:58:56 0.815848 0.090497 BFGS: 3261 15:58:57 0.809943 0.090345 BFGS: 3262 15:58:58 0.804062 0.090192 BFGS: 3263 15:58:58 0.798205 0.090039 BFGS: 3264 15:58:59 0.792372 0.089886 BFGS: 3265 15:58:59 0.786562 0.089733 BFGS: 3266 15:59:00 0.780776 0.089580 BFGS: 3267 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0.005232 BFGS: 3635 16:04:23 0.002474 0.005153 BFGS: 3636 16:04:24 0.002399 0.005074 BFGS: 3637 16:04:24 0.002324 0.004995 BFGS: 3638 16:04:25 0.002251 0.004916 BFGS: 3639 16:04:26 0.002179 0.004837 BFGS: 3640 16:04:27 0.002108 0.004758 BFGS: 3641 16:04:27 0.002038 0.004680 BFGS: 3642 16:04:28 0.001970 0.004601 BFGS: 3643 16:04:29 0.001903 0.004522 BFGS: 3644 16:04:29 0.001836 0.004443 BFGS: 3645 16:04:30 0.001771 0.004364 BFGS: 3646 16:04:30 0.001708 0.004285 BFGS: 3647 16:04:31 0.001645 0.004206 BFGS: 3648 16:04:32 0.001583 0.004127 BFGS: 3649 16:04:32 0.001523 0.004048 BFGS: 3650 16:04:33 0.001464 0.003969 BFGS: 3651 16:04:34 0.001406 0.003890 BFGS: 3652 16:04:34 0.001349 0.003811 BFGS: 3653 16:04:35 0.001294 0.003732 BFGS: 3654 16:04:36 0.001239 0.003653 BFGS: 3655 16:04:36 0.001186 0.003574 BFGS: 3656 16:04:37 0.001134 0.003495 BFGS: 3657 16:04:37 0.001083 0.003416 BFGS: 3658 16:04:38 0.001033 0.003337 BFGS: 3659 16:04:38 0.000985 0.003258 BFGS: 3660 16:04:39 0.000938 0.003179 BFGS: 3661 16:04:40 0.000891 0.003100 BFGS: 3662 16:04:40 0.000846 0.003021 BFGS: 3663 16:04:40 0.000803 0.002942 BFGS: 3664 16:04:41 0.000760 0.002863 BFGS: 3665 16:04:41 0.000718 0.002784 BFGS: 3666 16:04:42 0.000678 0.002705 BFGS: 3667 16:04:43 0.000639 0.002626 BFGS: 3668 16:04:44 0.000601 0.002547 BFGS: 3669 16:04:45 0.000564 0.002468 BFGS: 3670 16:04:45 0.000528 0.002389 BFGS: 3671 16:04:47 0.000494 0.002310 BFGS: 3672 16:04:48 0.000461 0.002231 BFGS: 3673 16:04:49 0.000428 0.002152 BFGS: 3674 16:04:50 0.000397 0.002073 BFGS: 3675 16:04:51 0.000368 0.001993 BFGS: 3676 16:04:51 0.000339 0.001914 BFGS: 3677 16:04:52 0.000311 0.001835 BFGS: 3678 16:04:52 0.000285 0.001756 BFGS: 3679 16:04:53 0.000260 0.001677 BFGS: 3680 16:04:54 0.000236 0.001598 BFGS: 3681 16:04:54 0.000213 0.001519 BFGS: 3682 16:04:55 0.000191 0.001440 BFGS: 3683 16:04:55 0.000171 0.001360 BFGS: 3684 16:04:56 0.000152 0.001281 BFGS: 3685 16:04:56 0.000133 0.001202 BFGS: 3686 16:04:57 0.000116 0.001123 BFGS: 3687 16:04:58 0.000101 0.001044 BFGS: 3688 16:04:58 0.000086 0.000965 BFGS: 3689 16:04:59 0.000072 0.000886 BFGS: 3690 16:04:59 0.000060 0.000806 BFGS: 3691 16:05:00 0.000049 0.000727 BFGS: 3692 16:05:00 0.000039 0.000648 BFGS: 3693 16:05:01 0.000030 0.000569 BFGS: 3694 16:05:01 0.000022 0.000490 BFGS: 3695 16:05:02 0.000016 0.000410 BFGS: 3696 16:05:03 0.000010 0.000331 BFGS: 3697 16:05:03 0.000006 0.000252 BFGS: 3698 16:05:04 0.000003 0.000173 BFGS: 3699 16:05:05 0.000001 0.000093 BFGS: 3700 16:05:05 0.000000 0.000014 BFGS: 3701 16:05:06 0.000000 0.000000 Minimization converged after 3701 steps. Maximum force component: 1.1133160602277343e-09 eV/Angstrom Maximum stress component: 5.957406145803338e-12 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', '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 = [[5.00966278e-32 0.00000000e+00 5.73686105e-32] [2.69999889e-32 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 5.23359884e-32] [5.00000000e-01 7.54143210e-33 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [9.04699569e-01 9.04699569e-01 9.04699569e-01] [9.53004311e-02 5.95300431e-01 4.04699569e-01] [5.95300431e-01 4.04699569e-01 9.53004311e-02] [4.04699569e-01 9.53004311e-02 5.95300431e-01] [6.54699569e-01 1.54699569e-01 8.45300431e-01] [3.45300431e-01 3.45300431e-01 3.45300431e-01] [1.54699569e-01 8.45300431e-01 6.54699569e-01] [8.45300431e-01 6.54699569e-01 1.54699569e-01] [1.54699569e-01 6.54699569e-01 8.45300431e-01] [6.54699569e-01 8.45300431e-01 1.54699569e-01] [8.45300431e-01 1.54699569e-01 6.54699569e-01] [5.95300431e-01 9.53004311e-02 4.04699569e-01] [9.53004311e-02 4.04699569e-01 5.95300431e-01] [4.04699569e-01 5.95300431e-01 9.53004311e-02] [9.04699569e-01 4.04699569e-01 4.04699569e-01] [9.53004311e-02 9.53004311e-02 9.04699569e-01] [5.95300431e-01 9.04699569e-01 5.95300431e-01] [6.54699569e-01 6.54699569e-01 3.45300431e-01] [3.45300431e-01 8.45300431e-01 8.45300431e-01] [1.54699569e-01 3.45300431e-01 1.54699569e-01] [1.54699569e-01 1.54699569e-01 3.45300431e-01] [6.54699569e-01 3.45300431e-01 6.54699569e-01] [5.95300431e-01 5.95300431e-01 9.04699569e-01] [9.53004311e-02 9.04699569e-01 9.53004311e-02] [4.04699569e-01 9.04699569e-01 4.04699569e-01] [9.04699569e-01 9.53004311e-02 9.53004311e-02] [8.45300431e-01 3.45300431e-01 8.45300431e-01] [3.45300431e-01 6.54699569e-01 6.54699569e-01] [3.45300431e-01 1.54699569e-01 1.54699569e-01] [9.04699569e-01 5.95300431e-01 5.95300431e-01] [4.04699569e-01 4.04699569e-01 9.04699569e-01] [8.45300431e-01 8.45300431e-01 3.45300431e-01] [4.40890343e-01 4.40890343e-01 2.52685084e-01] [5.59109657e-01 5.91096571e-02 7.52685084e-01] [5.91096571e-02 9.40890343e-01 7.47314916e-01] [9.40890343e-01 5.59109657e-01 2.47314916e-01] [2.52685084e-01 4.40890343e-01 4.40890343e-01] [7.52685084e-01 5.59109657e-01 5.91096571e-02] [7.47314916e-01 5.91096571e-02 9.40890343e-01] [2.47314916e-01 9.40890343e-01 5.59109657e-01] [4.40890343e-01 2.52685084e-01 4.40890343e-01] [5.91096571e-02 7.52685084e-01 5.59109657e-01] [9.40890343e-01 7.47314916e-01 5.91096571e-02] [5.59109657e-01 2.47314916e-01 9.40890343e-01] [1.90890343e-01 6.90890343e-01 4.97314916e-01] [8.09109657e-01 8.09109657e-01 9.97314916e-01] [6.90890343e-01 3.09109657e-01 2.68508429e-03] [3.09109657e-01 1.90890343e-01 5.02685084e-01] [1.90890343e-01 5.02685084e-01 3.09109657e-01] [3.09109657e-01 2.68508429e-03 6.90890343e-01] [8.09109657e-01 9.97314916e-01 8.09109657e-01] [6.90890343e-01 4.97314916e-01 1.90890343e-01] [2.68508429e-03 6.90890343e-01 3.09109657e-01] [5.02685084e-01 3.09109657e-01 1.90890343e-01] [4.97314916e-01 1.90890343e-01 6.90890343e-01] [9.97314916e-01 8.09109657e-01 8.09109657e-01] [6.90890343e-01 1.90890343e-01 4.97314916e-01] [1.90890343e-01 3.09109657e-01 5.02685084e-01] [3.09109657e-01 6.90890343e-01 2.68508429e-03] [4.97314916e-01 6.90890343e-01 1.90890343e-01] [5.02685084e-01 1.90890343e-01 3.09109657e-01] [2.68508429e-03 3.09109657e-01 6.90890343e-01] [1.90890343e-01 4.97314916e-01 6.90890343e-01] [3.09109657e-01 5.02685084e-01 1.90890343e-01] [6.90890343e-01 2.68508429e-03 3.09109657e-01] [5.91096571e-02 5.59109657e-01 7.52685084e-01] [5.59109657e-01 9.40890343e-01 2.47314916e-01] [9.40890343e-01 5.91096571e-02 7.47314916e-01] [5.91096571e-02 7.47314916e-01 9.40890343e-01] [9.40890343e-01 2.47314916e-01 5.59109657e-01] [5.59109657e-01 7.52685084e-01 5.91096571e-02] [2.47314916e-01 5.59109657e-01 9.40890343e-01] [7.47314916e-01 9.40890343e-01 5.91096571e-02] [7.52685084e-01 5.91096571e-02 5.59109657e-01] [4.40890343e-01 9.40890343e-01 7.52685084e-01] [5.59109657e-01 5.59109657e-01 2.52685084e-01] [5.91096571e-02 4.40890343e-01 2.47314916e-01] [2.52685084e-01 9.40890343e-01 9.40890343e-01] [7.47314916e-01 5.59109657e-01 4.40890343e-01] [2.47314916e-01 4.40890343e-01 5.91096571e-02] [4.40890343e-01 7.52685084e-01 9.40890343e-01] [5.91096571e-02 2.52685084e-01 5.91096571e-02] [5.59109657e-01 7.47314916e-01 4.40890343e-01] [1.90890343e-01 1.90890343e-01 9.97314916e-01] [8.09109657e-01 3.09109657e-01 4.97314916e-01] [6.90890343e-01 8.09109657e-01 5.02685084e-01] [1.90890343e-01 2.68508429e-03 8.09109657e-01] [8.09109657e-01 4.97314916e-01 3.09109657e-01] [6.90890343e-01 9.97314916e-01 6.90890343e-01] [2.68508429e-03 1.90890343e-01 8.09109657e-01] [5.02685084e-01 8.09109657e-01 6.90890343e-01] [9.97314916e-01 3.09109657e-01 3.09109657e-01] [6.90890343e-01 6.90890343e-01 9.97314916e-01] [1.90890343e-01 8.09109657e-01 2.68508429e-03] [5.02685084e-01 6.90890343e-01 8.09109657e-01] [2.68508429e-03 8.09109657e-01 1.90890343e-01] [1.90890343e-01 9.97314916e-01 1.90890343e-01] [6.90890343e-01 5.02685084e-01 8.09109657e-01] [5.91096571e-02 5.91096571e-02 2.52685084e-01] [5.59109657e-01 4.40890343e-01 7.47314916e-01] [5.91096571e-02 2.47314916e-01 4.40890343e-01] [5.59109657e-01 2.52685084e-01 5.59109657e-01] [2.47314916e-01 5.91096571e-02 4.40890343e-01] [7.47314916e-01 4.40890343e-01 5.59109657e-01] [9.40890343e-01 4.40890343e-01 7.52685084e-01] [4.40890343e-01 5.59109657e-01 7.47314916e-01] [7.52685084e-01 4.40890343e-01 9.40890343e-01] [2.52685084e-01 5.59109657e-01 5.59109657e-01] [9.40890343e-01 2.52685084e-01 9.40890343e-01] [4.40890343e-01 7.47314916e-01 5.59109657e-01] [3.09109657e-01 8.09109657e-01 4.97314916e-01] [8.09109657e-01 1.90890343e-01 2.68508429e-03] [8.09109657e-01 2.68508429e-03 1.90890343e-01] [3.09109657e-01 9.97314916e-01 3.09109657e-01] [9.97314916e-01 1.90890343e-01 1.90890343e-01] [4.97314916e-01 8.09109657e-01 3.09109657e-01] [8.09109657e-01 6.90890343e-01 5.02685084e-01] [9.97314916e-01 6.90890343e-01 6.90890343e-01] [8.09109657e-01 5.02685084e-01 6.90890343e-01] [4.40890343e-01 5.91096571e-02 2.47314916e-01] [4.40890343e-01 2.47314916e-01 5.91096571e-02] [2.52685084e-01 5.91096571e-02 5.91096571e-02] [9.40890343e-01 9.40890343e-01 2.52685084e-01] [7.52685084e-01 9.40890343e-01 4.40890343e-01] [9.40890343e-01 7.52685084e-01 4.40890343e-01] [3.09109657e-01 3.09109657e-01 9.97314916e-01] [3.09109657e-01 4.97314916e-01 8.09109657e-01] [4.97314916e-01 3.09109657e-01 8.09109657e-01]] cellpar = Cell([[34.7827382124083, 1.1916000354323509e-31, 2.95451233913166e-32], [1.3112741324697757e-31, 34.7827382124083, -1.938421463075361e-18], [-2.9476859080154747e-32, -1.93842146307549e-18, 34.7827382124083]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 6.30445845e-10 6.30445845e-10 1.11331606e-09] [-6.30445845e-10 -6.30445845e-10 1.11331606e-09] [-6.30445845e-10 6.30445845e-10 -1.11331606e-09] [ 6.30445845e-10 -6.30445845e-10 -1.11331606e-09] [ 1.11331606e-09 6.30445845e-10 6.30445845e-10] [ 1.11331606e-09 -6.30445845e-10 -6.30445845e-10] [-1.11331606e-09 -6.30445845e-10 6.30445845e-10] [-1.11331606e-09 6.30445845e-10 -6.30445845e-10] [ 6.30445845e-10 1.11331606e-09 6.30445845e-10] [-6.30445845e-10 1.11331606e-09 -6.30445845e-10] [ 6.30445845e-10 -1.11331606e-09 -6.30445845e-10] [-6.30445845e-10 -1.11331606e-09 6.30445845e-10] [ 6.30445845e-10 6.30445845e-10 -1.11331606e-09] [-6.30445845e-10 -6.30445845e-10 -1.11331606e-09] [ 6.30445845e-10 -6.30445845e-10 1.11331606e-09] [-6.30445845e-10 6.30445845e-10 1.11331606e-09] [ 6.30445845e-10 1.11331606e-09 -6.30445845e-10] [-6.30445845e-10 1.11331606e-09 6.30445845e-10] [-6.30445845e-10 -1.11331606e-09 -6.30445845e-10] [ 6.30445845e-10 -1.11331606e-09 6.30445845e-10] [ 1.11331606e-09 6.30445845e-10 -6.30445845e-10] [ 1.11331606e-09 -6.30445845e-10 6.30445845e-10] [-1.11331606e-09 6.30445845e-10 6.30445845e-10] [-1.11331606e-09 -6.30445845e-10 -6.30445845e-10] [ 6.30445845e-10 6.30445845e-10 -1.11331606e-09] [ 6.30445845e-10 -6.30445845e-10 1.11331606e-09] [-6.30445845e-10 6.30445845e-10 1.11331606e-09] [-1.11331606e-09 6.30445845e-10 6.30445845e-10] [ 1.11331606e-09 6.30445845e-10 -6.30445845e-10] [ 1.11331606e-09 -6.30445845e-10 6.30445845e-10] [ 6.30445845e-10 -1.11331606e-09 6.30445845e-10] [-6.30445845e-10 1.11331606e-09 6.30445845e-10] [ 6.30445845e-10 1.11331606e-09 -6.30445845e-10] [-6.30445845e-10 -6.30445845e-10 1.11331606e-09] [-6.30445845e-10 6.30445845e-10 -1.11331606e-09] [ 6.30445845e-10 -6.30445845e-10 -1.11331606e-09] [-6.30445845e-10 -1.11331606e-09 6.30445845e-10] [ 6.30445845e-10 -1.11331606e-09 -6.30445845e-10] [-6.30445845e-10 1.11331606e-09 -6.30445845e-10] [-1.11331606e-09 -6.30445845e-10 6.30445845e-10] [-1.11331606e-09 6.30445845e-10 -6.30445845e-10] [ 1.11331606e-09 -6.30445845e-10 -6.30445845e-10] [ 6.30445845e-10 6.30445845e-10 1.11331606e-09] [-6.30445845e-10 -6.30445845e-10 1.11331606e-09] [-6.30445845e-10 6.30445845e-10 -1.11331606e-09] [ 1.11331606e-09 6.30445845e-10 6.30445845e-10] [-1.11331606e-09 -6.30445845e-10 6.30445845e-10] [-1.11331606e-09 6.30445845e-10 -6.30445845e-10] [ 6.30445845e-10 1.11331606e-09 6.30445845e-10] [-6.30445845e-10 1.11331606e-09 -6.30445845e-10] [-6.30445845e-10 -1.11331606e-09 6.30445845e-10] [ 6.30445845e-10 6.30445845e-10 -1.11331606e-09] [-6.30445845e-10 -6.30445845e-10 -1.11331606e-09] [ 6.30445845e-10 -6.30445845e-10 1.11331606e-09] [ 6.30445845e-10 1.11331606e-09 -6.30445845e-10] [-6.30445845e-10 -1.11331606e-09 -6.30445845e-10] [ 6.30445845e-10 -1.11331606e-09 6.30445845e-10] [ 1.11331606e-09 6.30445845e-10 -6.30445845e-10] [ 1.11331606e-09 -6.30445845e-10 6.30445845e-10] [-1.11331606e-09 -6.30445845e-10 -6.30445845e-10] [ 6.30445845e-10 6.30445845e-10 -1.11331606e-09] [ 6.30445845e-10 -6.30445845e-10 1.11331606e-09] [ 1.11331606e-09 6.30445845e-10 -6.30445845e-10] [ 1.11331606e-09 -6.30445845e-10 6.30445845e-10] [ 6.30445845e-10 -1.11331606e-09 6.30445845e-10] [ 6.30445845e-10 1.11331606e-09 -6.30445845e-10] [-6.30445845e-10 -6.30445845e-10 1.11331606e-09] [-6.30445845e-10 6.30445845e-10 -1.11331606e-09] [-6.30445845e-10 -1.11331606e-09 6.30445845e-10] [-6.30445845e-10 1.11331606e-09 -6.30445845e-10] [-1.11331606e-09 -6.30445845e-10 6.30445845e-10] [-1.11331606e-09 6.30445845e-10 -6.30445845e-10] [ 6.30445845e-10 6.30445845e-10 1.11331606e-09] [ 6.30445845e-10 -6.30445845e-10 -1.11331606e-09] [ 1.11331606e-09 6.30445845e-10 6.30445845e-10] [ 1.11331606e-09 -6.30445845e-10 -6.30445845e-10] [ 6.30445845e-10 1.11331606e-09 6.30445845e-10] [ 6.30445845e-10 -1.11331606e-09 -6.30445845e-10] [-6.30445845e-10 -6.30445845e-10 -1.11331606e-09] [-6.30445845e-10 6.30445845e-10 1.11331606e-09] [-6.30445845e-10 1.11331606e-09 6.30445845e-10] [-6.30445845e-10 -1.11331606e-09 -6.30445845e-10] [-1.11331606e-09 6.30445845e-10 6.30445845e-10] [-1.11331606e-09 -6.30445845e-10 -6.30445845e-10] [-6.30445845e-10 6.30445845e-10 1.11331606e-09] [-1.11331606e-09 6.30445845e-10 6.30445845e-10] [-6.30445845e-10 1.11331606e-09 6.30445845e-10] [ 6.30445845e-10 -6.30445845e-10 -1.11331606e-09] [ 6.30445845e-10 -1.11331606e-09 -6.30445845e-10] [ 1.11331606e-09 -6.30445845e-10 -6.30445845e-10] [ 6.30445845e-10 6.30445845e-10 1.11331606e-09] [ 1.11331606e-09 6.30445845e-10 6.30445845e-10] [ 6.30445845e-10 1.11331606e-09 6.30445845e-10] [-6.30445845e-10 -6.30445845e-10 -1.11331606e-09] [-6.30445845e-10 -1.11331606e-09 -6.30445845e-10] [-1.11331606e-09 -6.30445845e-10 -6.30445845e-10]] stress = [-5.95740615e-12 -5.95740615e-12 -5.95740615e-12 -1.08708937e-30 -3.18377923e-36 -2.43363397e-55] energy per atom = 4.081702296416017e-17 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0