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 20:43:23 482.484180 4.538049 BFGS: 1 20:43:24 479.921451 4.513963 BFGS: 2 20:43:25 477.528605 4.490911 BFGS: 3 20:43:26 475.286946 4.471949 BFGS: 4 20:43:26 473.179822 4.454432 BFGS: 5 20:43:27 471.196741 4.440745 BFGS: 6 20:43:27 469.332973 4.427825 BFGS: 7 20:43:28 467.576583 4.415307 BFGS: 8 20:43:30 465.916517 4.403156 BFGS: 9 20:43:31 464.343042 4.391343 BFGS: 10 20:43:32 462.847573 4.379839 BFGS: 11 20:43:33 461.422517 4.368621 BFGS: 12 20:43:35 460.061144 4.357667 BFGS: 13 20:43:35 458.757478 4.346956 BFGS: 14 20:43:36 457.506198 4.336471 BFGS: 15 20:43:38 456.302562 4.326197 BFGS: 16 20:43:39 455.142328 4.316118 BFGS: 17 20:43:40 454.021701 4.306221 BFGS: 18 20:43:41 452.937274 4.296495 BFGS: 19 20:43:42 451.885983 4.286929 BFGS: 20 20:43:43 450.865072 4.277513 BFGS: 21 20:43:43 449.872048 4.268238 BFGS: 22 20:43:44 448.904662 4.259095 BFGS: 23 20:43:45 447.960873 4.250077 BFGS: 24 20:43:46 447.038828 4.241178 BFGS: 25 20:43:46 446.136845 4.232390 BFGS: 26 20:43:47 445.253388 4.223708 BFGS: 27 20:43:48 444.387057 4.215126 BFGS: 28 20:43:48 443.536570 4.206640 BFGS: 29 20:43:49 442.700753 4.198244 BFGS: 30 20:43:49 441.878529 4.189934 BFGS: 31 20:43:50 441.068908 4.181707 BFGS: 32 20:43:50 440.270975 4.173557 BFGS: 33 20:43:50 439.483890 4.165483 BFGS: 34 20:43:51 438.706874 4.157479 BFGS: 35 20:43:52 437.939205 4.149544 BFGS: 36 20:43:53 437.180216 4.141674 BFGS: 37 20:43:53 436.429284 4.133867 BFGS: 38 20:43:54 435.685833 4.126119 BFGS: 39 20:43:55 434.949324 4.118428 BFGS: 40 20:43:55 434.219255 4.110792 BFGS: 41 20:43:56 433.495155 4.103209 BFGS: 42 20:43:56 432.776586 4.095676 BFGS: 43 20:43:57 432.063136 4.088191 BFGS: 44 20:43:58 431.354418 4.080753 BFGS: 45 20:43:59 430.650070 4.073359 BFGS: 46 20:43:59 429.949749 4.066007 BFGS: 47 20:44:00 429.253137 4.058696 BFGS: 48 20:44:01 428.559928 4.051424 BFGS: 49 20:44:02 427.869840 4.044189 BFGS: 50 20:44:04 427.182602 4.036990 BFGS: 51 20:44:05 426.497961 4.029825 BFGS: 52 20:44:05 425.815677 4.022693 BFGS: 53 20:44:06 425.135525 4.015592 BFGS: 54 20:44:07 424.457290 4.008520 BFGS: 55 20:44:07 423.780771 4.001476 BFGS: 56 20:44:08 423.105778 3.994460 BFGS: 57 20:44:09 422.432131 3.987468 BFGS: 58 20:44:09 421.759662 3.980501 BFGS: 59 20:44:10 421.088100 3.973973 BFGS: 60 20:44:10 420.416954 3.967581 BFGS: 61 20:44:11 419.746059 3.961207 BFGS: 62 20:44:12 419.075300 3.954850 BFGS: 63 20:44:12 418.404571 3.948508 BFGS: 64 20:44:13 417.733773 3.942181 BFGS: 65 20:44:13 417.062815 3.935867 BFGS: 66 20:44:14 416.391618 3.929565 BFGS: 67 20:44:14 415.720106 3.923275 BFGS: 68 20:44:15 415.048215 3.916995 BFGS: 69 20:44:15 414.375886 3.910724 BFGS: 70 20:44:16 413.703070 3.904462 BFGS: 71 20:44:16 413.029722 3.898206 BFGS: 72 20:44:18 412.355808 3.891957 BFGS: 73 20:44:19 411.681296 3.885714 BFGS: 74 20:44:20 411.006163 3.879475 BFGS: 75 20:44:21 410.330393 3.873240 BFGS: 76 20:44:21 409.653973 3.867008 BFGS: 77 20:44:22 408.976896 3.860778 BFGS: 78 20:44:23 408.299159 3.854549 BFGS: 79 20:44:23 407.620766 3.848322 BFGS: 80 20:44:24 406.941722 3.842095 BFGS: 81 20:44:25 406.262036 3.835867 BFGS: 82 20:44:26 405.581721 3.829638 BFGS: 83 20:44:27 404.900791 3.823408 BFGS: 84 20:44:28 404.219265 3.817176 BFGS: 85 20:44:29 403.537161 3.810941 BFGS: 86 20:44:29 402.854502 3.804704 BFGS: 87 20:44:30 402.171309 3.798464 BFGS: 88 20:44:31 401.487608 3.792219 BFGS: 89 20:44:33 400.803423 3.785971 BFGS: 90 20:44:34 400.118782 3.779719 BFGS: 91 20:44:36 399.433712 3.773462 BFGS: 92 20:44:38 398.748242 3.767201 BFGS: 93 20:44:39 398.062402 3.760934 BFGS: 94 20:44:41 397.376223 3.754663 BFGS: 95 20:44:42 396.689738 3.748386 BFGS: 96 20:44:43 396.002979 3.742103 BFGS: 97 20:44:44 395.315980 3.735815 BFGS: 98 20:44:45 394.628777 3.729521 BFGS: 99 20:44:45 393.941407 3.723221 BFGS: 100 20:44:46 393.253906 3.716916 BFGS: 101 20:44:47 392.566314 3.710604 BFGS: 102 20:44:48 391.878670 3.704286 BFGS: 103 20:44:48 391.191016 3.697962 BFGS: 104 20:44:49 390.503393 3.691631 BFGS: 105 20:44:50 389.815845 3.685295 BFGS: 106 20:44:50 389.128417 3.678952 BFGS: 107 20:44:51 388.441153 3.672603 BFGS: 108 20:44:51 387.754101 3.666248 BFGS: 109 20:44:52 387.067308 3.659887 BFGS: 110 20:44:53 386.380823 3.653520 BFGS: 111 20:44:54 385.694694 3.647147 BFGS: 112 20:44:55 385.008974 3.640768 BFGS: 113 20:44:55 384.323712 3.634383 BFGS: 114 20:44:56 383.638962 3.627993 BFGS: 115 20:44:57 382.954775 3.621597 BFGS: 116 20:44:58 382.271206 3.615196 BFGS: 117 20:44:59 381.588307 3.608789 BFGS: 118 20:45:00 380.906135 3.602378 BFGS: 119 20:45:01 380.224744 3.595961 BFGS: 120 20:45:01 379.544189 3.589540 BFGS: 121 20:45:02 378.864525 3.583114 BFGS: 122 20:45:02 378.185809 3.576684 BFGS: 123 20:45:03 377.508096 3.570251 BFGS: 124 20:45:03 376.831442 3.563813 BFGS: 125 20:45:04 376.155903 3.557371 BFGS: 126 20:45:04 375.481534 3.550927 BFGS: 127 20:45:05 374.808391 3.544479 BFGS: 128 20:45:05 374.136528 3.538029 BFGS: 129 20:45:06 373.466000 3.531576 BFGS: 130 20:45:07 372.796847 3.525326 BFGS: 131 20:45:07 372.129077 3.519172 BFGS: 132 20:45:08 371.462738 3.513017 BFGS: 133 20:45:08 370.797882 3.506860 BFGS: 134 20:45:09 370.134560 3.500702 BFGS: 135 20:45:09 369.472821 3.494544 BFGS: 136 20:45:10 368.812714 3.488385 BFGS: 137 20:45:10 368.154287 3.482227 BFGS: 138 20:45:11 367.497585 3.476069 BFGS: 139 20:45:12 366.842653 3.469911 BFGS: 140 20:45:12 366.189537 3.463755 BFGS: 141 20:45:13 365.538277 3.457599 BFGS: 142 20:45:14 364.888915 3.451445 BFGS: 143 20:45:14 364.241490 3.445293 BFGS: 144 20:45:15 363.596041 3.439144 BFGS: 145 20:45:16 362.952603 3.432996 BFGS: 146 20:45:16 362.311212 3.426852 BFGS: 147 20:45:17 361.671901 3.420711 BFGS: 148 20:45:17 361.034700 3.414573 BFGS: 149 20:45:18 360.399641 3.408439 BFGS: 150 20:45:18 359.766751 3.402309 BFGS: 151 20:45:19 359.136056 3.396183 BFGS: 152 20:45:19 358.507580 3.390062 BFGS: 153 20:45:20 357.881269 3.384426 BFGS: 154 20:45:21 357.256801 3.379207 BFGS: 155 20:45:22 356.634227 3.374211 BFGS: 156 20:45:22 356.013622 3.369210 BFGS: 157 20:45:23 355.395014 3.364203 BFGS: 158 20:45:24 354.778428 3.359191 BFGS: 159 20:45:25 354.163887 3.354173 BFGS: 160 20:45:26 353.551411 3.349149 BFGS: 161 20:45:27 352.941022 3.344120 BFGS: 162 20:45:27 352.332735 3.339087 BFGS: 163 20:45:28 351.726569 3.334048 BFGS: 164 20:45:29 351.122536 3.329005 BFGS: 165 20:45:30 350.520650 3.323957 BFGS: 166 20:45:30 349.920922 3.318904 BFGS: 167 20:45:31 349.323362 3.313848 BFGS: 168 20:45:32 348.727976 3.308787 BFGS: 169 20:45:33 348.134772 3.303722 BFGS: 170 20:45:34 347.543755 3.298654 BFGS: 171 20:45:34 346.954927 3.293582 BFGS: 172 20:45:35 346.368291 3.288507 BFGS: 173 20:45:35 345.783847 3.283428 BFGS: 174 20:45:36 345.201594 3.278346 BFGS: 175 20:45:37 344.621531 3.273262 BFGS: 176 20:45:38 344.043654 3.268174 BFGS: 177 20:45:39 343.467959 3.263084 BFGS: 178 20:45:40 342.894439 3.257992 BFGS: 179 20:45:40 342.323089 3.252897 BFGS: 180 20:45:42 341.753900 3.247800 BFGS: 181 20:45:43 341.186863 3.242702 BFGS: 182 20:45:43 340.621970 3.237601 BFGS: 183 20:45:44 340.059209 3.232499 BFGS: 184 20:45:45 339.498570 3.227396 BFGS: 185 20:45:46 338.940039 3.222291 BFGS: 186 20:45:46 338.383604 3.217185 BFGS: 187 20:45:47 337.829252 3.212078 BFGS: 188 20:45:48 337.276968 3.206970 BFGS: 189 20:45:48 336.726737 3.201862 BFGS: 190 20:45:49 336.178544 3.196753 BFGS: 191 20:45:50 335.632373 3.191643 BFGS: 192 20:45:51 335.088208 3.186533 BFGS: 193 20:45:51 334.546032 3.181423 BFGS: 194 20:45:52 334.005828 3.176313 BFGS: 195 20:45:52 333.467578 3.171203 BFGS: 196 20:45:53 332.931265 3.166093 BFGS: 197 20:45:54 332.396871 3.160984 BFGS: 198 20:45:54 331.864377 3.155875 BFGS: 199 20:45:55 331.333765 3.150767 BFGS: 200 20:45:55 330.805017 3.145659 BFGS: 201 20:45:56 330.278111 3.140643 BFGS: 202 20:45:57 329.753031 3.135717 BFGS: 203 20:45:57 329.229766 3.130792 BFGS: 204 20:45:57 328.708297 3.125868 BFGS: 205 20:45:58 328.188603 3.120945 BFGS: 206 20:45:58 327.670665 3.116024 BFGS: 207 20:45:58 327.154465 3.111104 BFGS: 208 20:45:58 326.639982 3.106186 BFGS: 209 20:45:59 326.127198 3.101269 BFGS: 210 20:45:59 325.616093 3.096354 BFGS: 211 20:46:00 325.106649 3.091440 BFGS: 212 20:46:00 324.598846 3.086529 BFGS: 213 20:46:01 324.092666 3.081620 BFGS: 214 20:46:01 323.588090 3.076713 BFGS: 215 20:46:02 323.085101 3.071808 BFGS: 216 20:46:02 322.583679 3.066905 BFGS: 217 20:46:03 322.083806 3.062005 BFGS: 218 20:46:03 321.585465 3.057107 BFGS: 219 20:46:04 321.088639 3.052211 BFGS: 220 20:46:05 320.593309 3.047318 BFGS: 221 20:46:06 320.099452 3.042571 BFGS: 222 20:46:07 319.607003 3.037936 BFGS: 223 20:46:08 319.115933 3.033303 BFGS: 224 20:46:08 318.626226 3.028672 BFGS: 225 20:46:09 318.137868 3.024044 BFGS: 226 20:46:09 317.650843 3.019418 BFGS: 227 20:46:10 317.165137 3.014794 BFGS: 228 20:46:11 316.680736 3.010174 BFGS: 229 20:46:12 316.197626 3.005556 BFGS: 230 20:46:12 315.715792 3.000941 BFGS: 231 20:46:13 315.235220 2.996329 BFGS: 232 20:46:14 314.755898 2.991719 BFGS: 233 20:46:14 314.277812 2.987113 BFGS: 234 20:46:15 313.800949 2.982510 BFGS: 235 20:46:16 313.325296 2.977910 BFGS: 236 20:46:17 312.850841 2.973313 BFGS: 237 20:46:18 312.377571 2.968719 BFGS: 238 20:46:18 311.905474 2.964129 BFGS: 239 20:46:19 311.434539 2.959542 BFGS: 240 20:46:20 310.964753 2.954959 BFGS: 241 20:46:20 310.496105 2.950378 BFGS: 242 20:46:21 310.028584 2.945802 BFGS: 243 20:46:22 309.562180 2.941229 BFGS: 244 20:46:23 309.096881 2.936659 BFGS: 245 20:46:24 308.632676 2.932094 BFGS: 246 20:46:24 308.169557 2.927531 BFGS: 247 20:46:25 307.707512 2.922973 BFGS: 248 20:46:26 307.246532 2.918418 BFGS: 249 20:46:27 306.786607 2.913867 BFGS: 250 20:46:28 306.327729 2.909320 BFGS: 251 20:46:28 305.869887 2.904777 BFGS: 252 20:46:29 305.413072 2.900237 BFGS: 253 20:46:30 304.957277 2.895702 BFGS: 254 20:46:31 304.502493 2.891170 BFGS: 255 20:46:32 304.048710 2.886643 BFGS: 256 20:46:33 303.595922 2.882119 BFGS: 257 20:46:35 303.144120 2.877599 BFGS: 258 20:46:36 302.693296 2.873084 BFGS: 259 20:46:37 302.243443 2.868572 BFGS: 260 20:46:38 301.794554 2.864065 BFGS: 261 20:46:38 301.346621 2.859561 BFGS: 262 20:46:39 300.899638 2.855062 BFGS: 263 20:46:40 300.453596 2.850567 BFGS: 264 20:46:41 300.008491 2.846076 BFGS: 265 20:46:42 299.564315 2.841589 BFGS: 266 20:46:42 299.121062 2.837107 BFGS: 267 20:46:43 298.678725 2.832629 BFGS: 268 20:46:44 298.237300 2.828155 BFGS: 269 20:46:45 297.796779 2.823685 BFGS: 270 20:46:46 297.357157 2.819220 BFGS: 271 20:46:47 296.918429 2.814758 BFGS: 272 20:46:47 296.480589 2.810302 BFGS: 273 20:46:48 296.043632 2.805849 BFGS: 274 20:46:49 295.607553 2.801401 BFGS: 275 20:46:50 295.172346 2.796957 BFGS: 276 20:46:51 294.738007 2.792518 BFGS: 277 20:46:52 294.304531 2.788083 BFGS: 278 20:46:54 293.871913 2.783653 BFGS: 279 20:46:55 293.440149 2.779227 BFGS: 280 20:46:57 293.009235 2.774805 BFGS: 281 20:46:59 292.579165 2.770388 BFGS: 282 20:47:00 292.149936 2.765975 BFGS: 283 20:47:01 291.721543 2.761567 BFGS: 284 20:47:03 291.293984 2.757163 BFGS: 285 20:47:04 290.867253 2.752764 BFGS: 286 20:47:05 290.441347 2.748370 BFGS: 287 20:47:05 290.016262 2.743979 BFGS: 288 20:47:06 289.591995 2.739594 BFGS: 289 20:47:07 289.168543 2.735213 BFGS: 290 20:47:08 288.745900 2.730836 BFGS: 291 20:47:09 288.324066 2.726464 BFGS: 292 20:47:10 287.903035 2.722097 BFGS: 293 20:47:12 287.482805 2.717734 BFGS: 294 20:47:13 287.063373 2.713376 BFGS: 295 20:47:14 286.644735 2.709022 BFGS: 296 20:47:14 286.226890 2.704673 BFGS: 297 20:47:15 285.809833 2.700329 BFGS: 298 20:47:15 285.393562 2.695989 BFGS: 299 20:47:16 284.978074 2.691654 BFGS: 300 20:47:16 284.563367 2.687323 BFGS: 301 20:47:17 284.149438 2.682997 BFGS: 302 20:47:18 283.736284 2.678676 BFGS: 303 20:47:18 283.323903 2.674359 BFGS: 304 20:47:19 282.912292 2.670047 BFGS: 305 20:47:20 282.501450 2.665740 BFGS: 306 20:47:20 282.091372 2.661437 BFGS: 307 20:47:21 281.682057 2.657205 BFGS: 308 20:47:21 281.273461 2.653117 BFGS: 309 20:47:22 280.865543 2.649034 BFGS: 310 20:47:22 280.458298 2.644958 BFGS: 311 20:47:23 280.051726 2.640886 BFGS: 312 20:47:24 279.645824 2.636820 BFGS: 313 20:47:25 279.240589 2.632760 BFGS: 314 20:47:25 278.836020 2.628705 BFGS: 315 20:47:26 278.432115 2.624656 BFGS: 316 20:47:26 278.028872 2.620612 BFGS: 317 20:47:27 277.626288 2.616573 BFGS: 318 20:47:27 277.224363 2.612540 BFGS: 319 20:47:28 276.823094 2.608512 BFGS: 320 20:47:28 276.422479 2.604490 BFGS: 321 20:47:29 276.022517 2.600473 BFGS: 322 20:47:30 275.623206 2.596461 BFGS: 323 20:47:32 275.224544 2.592454 BFGS: 324 20:47:33 274.826530 2.588453 BFGS: 325 20:47:34 274.429162 2.584458 BFGS: 326 20:47:34 274.032439 2.580467 BFGS: 327 20:47:35 273.636359 2.576482 BFGS: 328 20:47:35 273.240920 2.572502 BFGS: 329 20:47:36 272.846122 2.568528 BFGS: 330 20:47:36 272.451963 2.564559 BFGS: 331 20:47:36 272.058442 2.560594 BFGS: 332 20:47:37 271.665557 2.556636 BFGS: 333 20:47:37 271.273306 2.552682 BFGS: 334 20:47:38 270.881690 2.548733 BFGS: 335 20:47:38 270.490705 2.544790 BFGS: 336 20:47:39 270.100353 2.540852 BFGS: 337 20:47:40 269.710630 2.536919 BFGS: 338 20:47:41 269.321536 2.532991 BFGS: 339 20:47:42 268.933070 2.529068 BFGS: 340 20:47:43 268.545231 2.525150 BFGS: 341 20:47:43 268.158017 2.521238 BFGS: 342 20:47:45 267.771428 2.517330 BFGS: 343 20:47:47 267.385463 2.513428 BFGS: 344 20:47:49 267.000120 2.509530 BFGS: 345 20:47:49 266.615399 2.505638 BFGS: 346 20:47:50 266.231299 2.501751 BFGS: 347 20:47:51 265.847818 2.497868 BFGS: 348 20:47:52 265.464956 2.493991 BFGS: 349 20:47:53 265.082712 2.490118 BFGS: 350 20:47:54 264.701084 2.486251 BFGS: 351 20:47:55 264.320073 2.482389 BFGS: 352 20:47:57 263.939677 2.478531 BFGS: 353 20:47:57 263.559895 2.474678 BFGS: 354 20:47:58 263.180727 2.470831 BFGS: 355 20:47:59 262.802172 2.466988 BFGS: 356 20:48:00 262.424228 2.463150 BFGS: 357 20:48:01 262.046895 2.459317 BFGS: 358 20:48:01 261.670173 2.455488 BFGS: 359 20:48:02 261.294060 2.451665 BFGS: 360 20:48:03 260.918555 2.447846 BFGS: 361 20:48:03 260.543659 2.444033 BFGS: 362 20:48:04 260.169370 2.440224 BFGS: 363 20:48:04 259.795687 2.436420 BFGS: 364 20:48:05 259.422610 2.432620 BFGS: 365 20:48:05 259.050138 2.428826 BFGS: 366 20:48:06 258.678270 2.425036 BFGS: 367 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1.269473 BFGS: 801 20:53:06 142.211486 1.267699 BFGS: 802 20:53:06 142.017256 1.265926 BFGS: 803 20:53:07 141.823285 1.264154 BFGS: 804 20:53:08 141.629573 1.262385 BFGS: 805 20:53:08 141.436120 1.260617 BFGS: 806 20:53:09 141.242926 1.258851 BFGS: 807 20:53:09 141.049990 1.257087 BFGS: 808 20:53:10 140.857314 1.255324 BFGS: 809 20:53:10 140.664895 1.253563 BFGS: 810 20:53:11 140.472736 1.251804 BFGS: 811 20:53:12 140.280834 1.250047 BFGS: 812 20:53:13 140.089191 1.248291 BFGS: 813 20:53:14 139.897806 1.246537 BFGS: 814 20:53:15 139.706679 1.244785 BFGS: 815 20:53:15 139.515810 1.243034 BFGS: 816 20:53:16 139.325199 1.241285 BFGS: 817 20:53:16 139.134846 1.239538 BFGS: 818 20:53:17 138.944750 1.237792 BFGS: 819 20:53:17 138.754911 1.236048 BFGS: 820 20:53:19 138.565330 1.234306 BFGS: 821 20:53:20 138.376006 1.232565 BFGS: 822 20:53:21 138.186939 1.230826 BFGS: 823 20:53:22 137.998129 1.229089 BFGS: 824 20:53:23 137.809576 1.227353 BFGS: 825 20:53:24 137.621280 1.225619 BFGS: 826 20:53:25 137.433240 1.223887 BFGS: 827 20:53:25 137.245457 1.222157 BFGS: 828 20:53:26 137.057930 1.220428 BFGS: 829 20:53:28 136.870659 1.218700 BFGS: 830 20:53:29 136.683645 1.216975 BFGS: 831 20:53:30 136.496886 1.215251 BFGS: 832 20:53:31 136.310383 1.213528 BFGS: 833 20:53:32 136.124136 1.211807 BFGS: 834 20:53:33 135.938145 1.210088 BFGS: 835 20:53:34 135.752408 1.208371 BFGS: 836 20:53:35 135.566928 1.206655 BFGS: 837 20:53:36 135.381702 1.204941 BFGS: 838 20:53:37 135.196732 1.203228 BFGS: 839 20:53:38 135.012016 1.201517 BFGS: 840 20:53:38 134.827555 1.199808 BFGS: 841 20:53:39 134.643349 1.198100 BFGS: 842 20:53:40 134.459397 1.196394 BFGS: 843 20:53:41 134.275700 1.194690 BFGS: 844 20:53:41 134.092256 1.192987 BFGS: 845 20:53:42 133.909067 1.191286 BFGS: 846 20:53:43 133.726132 1.189586 BFGS: 847 20:53:44 133.543451 1.187888 BFGS: 848 20:53:44 133.361023 1.186191 BFGS: 849 20:53:45 133.178849 1.184496 BFGS: 850 20:53:46 132.996928 1.182803 BFGS: 851 20:53:46 132.815260 1.181111 BFGS: 852 20:53:47 132.633846 1.179421 BFGS: 853 20:53:47 132.452684 1.177733 BFGS: 854 20:53:48 132.271775 1.176046 BFGS: 855 20:53:49 132.091119 1.174361 BFGS: 856 20:53:49 131.910715 1.172677 BFGS: 857 20:53:50 131.730564 1.170995 BFGS: 858 20:53:50 131.550664 1.169314 BFGS: 859 20:53:51 131.371017 1.167635 BFGS: 860 20:53:51 131.191622 1.165957 BFGS: 861 20:53:51 131.012478 1.164281 BFGS: 862 20:53:52 130.833586 1.162607 BFGS: 863 20:53:53 130.654940 1.161037 BFGS: 864 20:53:53 130.476537 1.159484 BFGS: 865 20:53:53 130.298379 1.157932 BFGS: 866 20:53:54 130.120464 1.156382 BFGS: 867 20:53:55 129.942792 1.154833 BFGS: 868 20:53:55 129.765363 1.153285 BFGS: 869 20:53:55 129.588176 1.151739 BFGS: 870 20:53:56 129.411231 1.150195 BFGS: 871 20:53:56 129.234527 1.148651 BFGS: 872 20:53:57 129.058065 1.147110 BFGS: 873 20:53:57 128.881843 1.145569 BFGS: 874 20:53:57 128.705862 1.144030 BFGS: 875 20:53:58 128.530120 1.142493 BFGS: 876 20:53:58 128.354618 1.140957 BFGS: 877 20:53:59 128.179356 1.139422 BFGS: 878 20:53:59 128.004333 1.137889 BFGS: 879 20:54:00 127.829548 1.136357 BFGS: 880 20:54:00 127.655002 1.134827 BFGS: 881 20:54:00 127.480694 1.133298 BFGS: 882 20:54:01 127.306624 1.131770 BFGS: 883 20:54:01 127.132791 1.130244 BFGS: 884 20:54:02 126.959195 1.128719 BFGS: 885 20:54:03 126.785837 1.127195 BFGS: 886 20:54:03 126.612715 1.125673 BFGS: 887 20:54:04 126.439830 1.124152 BFGS: 888 20:54:05 126.267180 1.122633 BFGS: 889 20:54:05 126.094767 1.121115 BFGS: 890 20:54:06 125.922590 1.119598 BFGS: 891 20:54:06 125.750647 1.118082 BFGS: 892 20:54:07 125.578940 1.116568 BFGS: 893 20:54:08 125.407468 1.115056 BFGS: 894 20:54:08 125.236231 1.113544 BFGS: 895 20:54:09 125.065228 1.112034 BFGS: 896 20:54:10 124.894459 1.110525 BFGS: 897 20:54:11 124.723925 1.109018 BFGS: 898 20:54:11 124.553624 1.107512 BFGS: 899 20:54:12 124.383556 1.106007 BFGS: 900 20:54:13 124.213722 1.104504 BFGS: 901 20:54:14 124.044121 1.103002 BFGS: 902 20:54:14 123.874752 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20:54:48 111.516196 0.989765 BFGS: 980 20:54:48 111.364360 0.988361 BFGS: 981 20:54:49 111.212742 0.986960 BFGS: 982 20:54:49 111.061341 0.985559 BFGS: 983 20:54:50 110.910156 0.984159 BFGS: 984 20:54:50 110.759189 0.982761 BFGS: 985 20:54:50 110.608437 0.981364 BFGS: 986 20:54:51 110.457902 0.979968 BFGS: 987 20:54:51 110.307583 0.978573 BFGS: 988 20:54:52 110.157480 0.977180 BFGS: 989 20:54:52 110.007593 0.975787 BFGS: 990 20:54:53 109.857921 0.974396 BFGS: 991 20:54:54 109.708464 0.973006 BFGS: 992 20:54:54 109.559223 0.971617 BFGS: 993 20:54:54 109.410196 0.970229 BFGS: 994 20:54:55 109.261384 0.968843 BFGS: 995 20:54:55 109.112787 0.967457 BFGS: 996 20:54:56 108.964405 0.966073 BFGS: 997 20:54:56 108.816236 0.964690 BFGS: 998 20:54:57 108.668282 0.963308 BFGS: 999 20:54:57 108.520541 0.961928 BFGS: 1000 20:54:58 108.373014 0.960548 BFGS: 1001 20:54:58 108.225701 0.959170 BFGS: 1002 20:54:59 108.078601 0.957793 BFGS: 1003 20:55:00 107.931714 0.956417 BFGS: 1004 20:55:00 107.785040 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0.134352 BFGS: 2900 21:12:17 4.452247 0.134258 BFGS: 2901 21:12:18 4.438097 0.134163 BFGS: 2902 21:12:18 4.423968 0.134068 BFGS: 2903 21:12:19 4.409861 0.133973 BFGS: 2904 21:12:19 4.395776 0.133878 BFGS: 2905 21:12:19 4.381712 0.133783 BFGS: 2906 21:12:20 4.367671 0.133688 BFGS: 2907 21:12:20 4.353651 0.133592 BFGS: 2908 21:12:21 4.339653 0.133496 BFGS: 2909 21:12:22 4.325677 0.133401 BFGS: 2910 21:12:22 4.311722 0.133305 BFGS: 2911 21:12:22 4.297790 0.133208 BFGS: 2912 21:12:23 4.283879 0.133112 BFGS: 2913 21:12:24 4.269990 0.133016 BFGS: 2914 21:12:25 4.256123 0.132919 BFGS: 2915 21:12:25 4.242278 0.132823 BFGS: 2916 21:12:25 4.228455 0.132726 BFGS: 2917 21:12:26 4.214653 0.132629 BFGS: 2918 21:12:26 4.200874 0.132531 BFGS: 2919 21:12:27 4.187116 0.132434 BFGS: 2920 21:12:27 4.173380 0.132337 BFGS: 2921 21:12:28 4.159666 0.132239 BFGS: 2922 21:12:28 4.145974 0.132141 BFGS: 2923 21:12:28 4.132304 0.132043 BFGS: 2924 21:12:29 4.118656 0.131945 BFGS: 2925 21:12:29 4.105029 0.131847 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21:12:40 3.745430 0.129141 BFGS: 2953 21:12:41 3.732421 0.129039 BFGS: 2954 21:12:41 3.719433 0.128937 BFGS: 2955 21:12:41 3.706468 0.128834 BFGS: 2956 21:12:42 3.693524 0.128731 BFGS: 2957 21:12:42 3.680603 0.128629 BFGS: 2958 21:12:43 3.667704 0.128526 BFGS: 2959 21:12:43 3.654827 0.128423 BFGS: 2960 21:12:43 3.641972 0.128319 BFGS: 2961 21:12:44 3.629140 0.128216 BFGS: 2962 21:12:45 3.616330 0.128112 BFGS: 2963 21:12:45 3.603541 0.128009 BFGS: 2964 21:12:46 3.590775 0.127905 BFGS: 2965 21:12:46 3.578032 0.127801 BFGS: 2966 21:12:47 3.565310 0.127697 BFGS: 2967 21:12:47 3.552611 0.127593 BFGS: 2968 21:12:48 3.539934 0.127488 BFGS: 2969 21:12:48 3.527279 0.127384 BFGS: 2970 21:12:49 3.514646 0.127279 BFGS: 2971 21:12:49 3.502036 0.127174 BFGS: 2972 21:12:49 3.489447 0.127069 BFGS: 2973 21:12:50 3.476881 0.126964 BFGS: 2974 21:12:50 3.464338 0.126859 BFGS: 2975 21:12:50 3.451816 0.126753 BFGS: 2976 21:12:51 3.439317 0.126648 BFGS: 2977 21:12:52 3.426841 0.126542 BFGS: 2978 21:12:52 3.414386 0.126436 BFGS: 2979 21:12:53 3.401954 0.126330 BFGS: 2980 21:12:53 3.389544 0.126224 BFGS: 2981 21:12:53 3.377156 0.126118 BFGS: 2982 21:12:54 3.364791 0.126012 BFGS: 2983 21:12:54 3.352448 0.125905 BFGS: 2984 21:12:54 3.340127 0.125799 BFGS: 2985 21:12:55 3.327829 0.125692 BFGS: 2986 21:12:55 3.315553 0.125585 BFGS: 2987 21:12:56 3.303300 0.125478 BFGS: 2988 21:12:56 3.291068 0.125370 BFGS: 2989 21:12:57 3.278859 0.125263 BFGS: 2990 21:12:57 3.266673 0.125155 BFGS: 2991 21:12:58 3.254509 0.125048 BFGS: 2992 21:12:58 3.242367 0.124940 BFGS: 2993 21:12:58 3.230248 0.124832 BFGS: 2994 21:12:59 3.218151 0.124724 BFGS: 2995 21:12:59 3.206076 0.124616 BFGS: 2996 21:12:59 3.194024 0.124507 BFGS: 2997 21:13:00 3.181995 0.124399 BFGS: 2998 21:13:00 3.169988 0.124290 BFGS: 2999 21:13:01 3.158003 0.124181 BFGS: 3000 21:13:01 3.146040 0.124072 BFGS: 3001 21:13:02 3.134101 0.123963 BFGS: 3002 21:13:02 3.122183 0.123854 BFGS: 3003 21:13:03 3.110288 0.123745 BFGS: 3004 21:13:03 3.098416 0.123635 BFGS: 3005 21:13:03 3.086566 0.123525 BFGS: 3006 21:13:04 3.074738 0.123416 BFGS: 3007 21:13:04 3.062933 0.123306 BFGS: 3008 21:13:04 3.051151 0.123196 BFGS: 3009 21:13:05 3.039391 0.123085 BFGS: 3010 21:13:06 3.027653 0.122975 BFGS: 3011 21:13:06 3.015938 0.122864 BFGS: 3012 21:13:06 3.004246 0.122754 BFGS: 3013 21:13:07 2.992576 0.122643 BFGS: 3014 21:13:09 2.980929 0.122532 BFGS: 3015 21:13:09 2.969304 0.122421 BFGS: 3016 21:13:10 2.957702 0.122310 BFGS: 3017 21:13:11 2.946122 0.122198 BFGS: 3018 21:13:12 2.934565 0.122087 BFGS: 3019 21:13:13 2.923030 0.121975 BFGS: 3020 21:13:13 2.911518 0.121863 BFGS: 3021 21:13:14 2.900029 0.121751 BFGS: 3022 21:13:15 2.888562 0.121639 BFGS: 3023 21:13:15 2.877118 0.121527 BFGS: 3024 21:13:17 2.865696 0.121414 BFGS: 3025 21:13:18 2.854297 0.121302 BFGS: 3026 21:13:20 2.842921 0.121189 BFGS: 3027 21:13:20 2.831567 0.121076 BFGS: 3028 21:13:21 2.820236 0.120963 BFGS: 3029 21:13:21 2.808928 0.120850 BFGS: 3030 21:13:22 2.797642 0.120737 BFGS: 3031 21:13:22 2.786379 0.120624 BFGS: 3032 21:13:23 2.775139 0.120510 BFGS: 3033 21:13:23 2.763921 0.120396 BFGS: 3034 21:13:23 2.752726 0.120283 BFGS: 3035 21:13:24 2.741554 0.120169 BFGS: 3036 21:13:24 2.730404 0.120055 BFGS: 3037 21:13:24 2.719277 0.119940 BFGS: 3038 21:13:25 2.708173 0.119826 BFGS: 3039 21:13:26 2.697091 0.119711 BFGS: 3040 21:13:26 2.686032 0.119597 BFGS: 3041 21:13:27 2.674996 0.119482 BFGS: 3042 21:13:27 2.663983 0.119367 BFGS: 3043 21:13:28 2.652992 0.119252 BFGS: 3044 21:13:28 2.642024 0.119136 BFGS: 3045 21:13:28 2.631079 0.119021 BFGS: 3046 21:13:29 2.620157 0.118905 BFGS: 3047 21:13:29 2.609257 0.118790 BFGS: 3048 21:13:30 2.598380 0.118674 BFGS: 3049 21:13:30 2.587526 0.118558 BFGS: 3050 21:13:31 2.576695 0.118442 BFGS: 3051 21:13:31 2.565886 0.118325 BFGS: 3052 21:13:32 2.555101 0.118209 BFGS: 3053 21:13:33 2.544338 0.118092 BFGS: 3054 21:13:34 2.533598 0.117976 BFGS: 3055 21:13:34 2.522880 0.117859 BFGS: 3056 21:13:35 2.512186 0.117742 BFGS: 3057 21:13:35 2.501514 0.117624 BFGS: 3058 21:13:36 2.490866 0.117507 BFGS: 3059 21:13:36 2.480240 0.117390 BFGS: 3060 21:13:37 2.469637 0.117272 BFGS: 3061 21:13:37 2.459056 0.117154 BFGS: 3062 21:13:38 2.448499 0.117036 BFGS: 3063 21:13:38 2.437965 0.116918 BFGS: 3064 21:13:39 2.427453 0.116800 BFGS: 3065 21:13:40 2.416964 0.116682 BFGS: 3066 21:13:41 2.406498 0.116563 BFGS: 3067 21:13:41 2.396055 0.116445 BFGS: 3068 21:13:42 2.385635 0.116326 BFGS: 3069 21:13:42 2.375238 0.116207 BFGS: 3070 21:13:43 2.364864 0.116088 BFGS: 3071 21:13:44 2.354513 0.115968 BFGS: 3072 21:13:44 2.344184 0.115849 BFGS: 3073 21:13:45 2.333879 0.115730 BFGS: 3074 21:13:45 2.323596 0.115610 BFGS: 3075 21:13:46 2.313337 0.115490 BFGS: 3076 21:13:47 2.303100 0.115370 BFGS: 3077 21:13:47 2.292886 0.115250 BFGS: 3078 21:13:48 2.282696 0.115130 BFGS: 3079 21:13:48 2.272528 0.115009 BFGS: 3080 21:13:49 2.262383 0.114889 BFGS: 3081 21:13:49 2.252262 0.114768 BFGS: 3082 21:13:50 2.242163 0.114647 BFGS: 3083 21:13:50 2.232087 0.114526 BFGS: 3084 21:13:51 2.222034 0.114405 BFGS: 3085 21:13:51 2.212004 0.114283 BFGS: 3086 21:13:52 2.201998 0.114162 BFGS: 3087 21:13:52 2.192014 0.114040 BFGS: 3088 21:13:52 2.182053 0.113918 BFGS: 3089 21:13:53 2.172116 0.113797 BFGS: 3090 21:13:53 2.162201 0.113674 BFGS: 3091 21:13:53 2.152309 0.113552 BFGS: 3092 21:13:54 2.142441 0.113430 BFGS: 3093 21:13:54 2.132595 0.113307 BFGS: 3094 21:13:54 2.122773 0.113185 BFGS: 3095 21:13:55 2.112973 0.113062 BFGS: 3096 21:13:56 2.103197 0.112939 BFGS: 3097 21:13:56 2.093444 0.112816 BFGS: 3098 21:13:56 2.083714 0.112692 BFGS: 3099 21:13:56 2.074007 0.112569 BFGS: 3100 21:13:57 2.064323 0.112445 BFGS: 3101 21:13:57 2.054662 0.112321 BFGS: 3102 21:13:57 2.045024 0.112197 BFGS: 3103 21:13:57 2.035410 0.112073 BFGS: 3104 21:13:57 2.025818 0.111949 BFGS: 3105 21:13:57 2.016250 0.111825 BFGS: 3106 21:13:58 2.006704 0.111700 BFGS: 3107 21:13:58 1.997182 0.111576 BFGS: 3108 21:13:58 1.987683 0.111451 BFGS: 3109 21:13:58 1.978208 0.111326 BFGS: 3110 21:13:58 1.968755 0.111201 BFGS: 3111 21:13:59 1.959325 0.111075 BFGS: 3112 21:13:59 1.949919 0.110950 BFGS: 3113 21:13:59 1.940536 0.110824 BFGS: 3114 21:13:59 1.931176 0.110698 BFGS: 3115 21:13:59 1.921839 0.110572 BFGS: 3116 21:14:00 1.912525 0.110446 BFGS: 3117 21:14:00 1.903235 0.110320 BFGS: 3118 21:14:00 1.893968 0.110194 BFGS: 3119 21:14:00 1.884724 0.110067 BFGS: 3120 21:14:01 1.875503 0.109940 BFGS: 3121 21:14:01 1.866305 0.109813 BFGS: 3122 21:14:01 1.857131 0.109686 BFGS: 3123 21:14:02 1.847980 0.109559 BFGS: 3124 21:14:02 1.838852 0.109432 BFGS: 3125 21:14:03 1.829747 0.109304 BFGS: 3126 21:14:03 1.820666 0.109177 BFGS: 3127 21:14:03 1.811607 0.109049 BFGS: 3128 21:14:04 1.802572 0.108921 BFGS: 3129 21:14:04 1.793561 0.108793 BFGS: 3130 21:14:04 1.784572 0.108664 BFGS: 3131 21:14:04 1.775607 0.108536 BFGS: 3132 21:14:06 1.766665 0.108407 BFGS: 3133 21:14:08 1.757747 0.108278 BFGS: 3134 21:14:08 1.748851 0.108149 BFGS: 3135 21:14:08 1.739979 0.108020 BFGS: 3136 21:14:09 1.731131 0.107891 BFGS: 3137 21:14:10 1.722305 0.107762 BFGS: 3138 21:14:10 1.713503 0.107632 BFGS: 3139 21:14:10 1.704724 0.107502 BFGS: 3140 21:14:11 1.695969 0.107372 BFGS: 3141 21:14:11 1.687237 0.107242 BFGS: 3142 21:14:11 1.678528 0.107112 BFGS: 3143 21:14:12 1.669842 0.106981 BFGS: 3144 21:14:12 1.661180 0.106851 BFGS: 3145 21:14:13 1.652541 0.106720 BFGS: 3146 21:14:14 1.643926 0.106589 BFGS: 3147 21:14:14 1.635333 0.106458 BFGS: 3148 21:14:15 1.626765 0.106327 BFGS: 3149 21:14:15 1.618219 0.106195 BFGS: 3150 21:14:15 1.609697 0.106064 BFGS: 3151 21:14:15 1.601198 0.105932 BFGS: 3152 21:14:16 1.592723 0.105800 BFGS: 3153 21:14:16 1.584271 0.105668 BFGS: 3154 21:14:16 1.575842 0.105536 BFGS: 3155 21:14:17 1.567437 0.105403 BFGS: 3156 21:14:17 1.559055 0.105271 BFGS: 3157 21:14:18 1.550697 0.105138 BFGS: 3158 21:14:19 1.542362 0.105005 BFGS: 3159 21:14:19 1.534050 0.104872 BFGS: 3160 21:14:19 1.525762 0.104739 BFGS: 3161 21:14:20 1.517498 0.104605 BFGS: 3162 21:14:20 1.509256 0.104472 BFGS: 3163 21:14:21 1.501038 0.104338 BFGS: 3164 21:14:22 1.492844 0.104204 BFGS: 3165 21:14:22 1.484673 0.104070 BFGS: 3166 21:14:23 1.476525 0.103936 BFGS: 3167 21:14:23 1.468401 0.103801 BFGS: 3168 21:14:24 1.460300 0.103667 BFGS: 3169 21:14:24 1.452223 0.103532 BFGS: 3170 21:14:25 1.444169 0.103397 BFGS: 3171 21:14:25 1.436139 0.103262 BFGS: 3172 21:14:26 1.428132 0.103127 BFGS: 3173 21:14:26 1.420148 0.102991 BFGS: 3174 21:14:27 1.412189 0.102855 BFGS: 3175 21:14:27 1.404252 0.102720 BFGS: 3176 21:14:28 1.396339 0.102584 BFGS: 3177 21:14:28 1.388450 0.102448 BFGS: 3178 21:14:28 1.380584 0.102311 BFGS: 3179 21:14:29 1.372741 0.102175 BFGS: 3180 21:14:29 1.364922 0.102038 BFGS: 3181 21:14:30 1.357127 0.101901 BFGS: 3182 21:14:30 1.349355 0.101764 BFGS: 3183 21:14:30 1.341606 0.101627 BFGS: 3184 21:14:31 1.333881 0.101489 BFGS: 3185 21:14:31 1.326180 0.101352 BFGS: 3186 21:14:31 1.318502 0.101214 BFGS: 3187 21:14:31 1.310847 0.101076 BFGS: 3188 21:14:31 1.303216 0.100938 BFGS: 3189 21:14:32 1.295609 0.100800 BFGS: 3190 21:14:32 1.288025 0.100661 BFGS: 3191 21:14:32 1.280465 0.100523 BFGS: 3192 21:14:32 1.272928 0.100384 BFGS: 3193 21:14:33 1.265415 0.100245 BFGS: 3194 21:14:33 1.257926 0.100106 BFGS: 3195 21:14:33 1.250460 0.099966 BFGS: 3196 21:14:33 1.243017 0.099827 BFGS: 3197 21:14:33 1.235598 0.099687 BFGS: 3198 21:14:34 1.228203 0.099547 BFGS: 3199 21:14:34 1.220831 0.099407 BFGS: 3200 21:14:34 1.213483 0.099267 BFGS: 3201 21:14:35 1.206158 0.099126 BFGS: 3202 21:14:35 1.198857 0.098986 BFGS: 3203 21:14:35 1.191580 0.098845 BFGS: 3204 21:14:36 1.184326 0.098704 BFGS: 3205 21:14:36 1.177095 0.098562 BFGS: 3206 21:14:36 1.169889 0.098421 BFGS: 3207 21:14:36 1.162706 0.098280 BFGS: 3208 21:14:37 1.155546 0.098138 BFGS: 3209 21:14:37 1.148410 0.097996 BFGS: 3210 21:14:37 1.141298 0.097854 BFGS: 3211 21:14:37 1.134209 0.097711 BFGS: 3212 21:14:38 1.127144 0.097569 BFGS: 3213 21:14:38 1.120103 0.097426 BFGS: 3214 21:14:39 1.113085 0.097283 BFGS: 3215 21:14:39 1.106091 0.097140 BFGS: 3216 21:14:39 1.099120 0.096997 BFGS: 3217 21:14:39 1.092173 0.096853 BFGS: 3218 21:14:40 1.085250 0.096710 BFGS: 3219 21:14:40 1.078351 0.096566 BFGS: 3220 21:14:40 1.071474 0.096422 BFGS: 3221 21:14:40 1.064622 0.096278 BFGS: 3222 21:14:41 1.057793 0.096133 BFGS: 3223 21:14:41 1.050988 0.095989 BFGS: 3224 21:14:41 1.044207 0.095844 BFGS: 3225 21:14:41 1.037449 0.095699 BFGS: 3226 21:14:42 1.030715 0.095554 BFGS: 3227 21:14:42 1.024005 0.095408 BFGS: 3228 21:14:42 1.017318 0.095263 BFGS: 3229 21:14:42 1.010655 0.095117 BFGS: 3230 21:14:42 1.004015 0.094971 BFGS: 3231 21:14:42 0.997399 0.094825 BFGS: 3232 21:14:43 0.990807 0.094678 BFGS: 3233 21:14:43 0.984239 0.094532 BFGS: 3234 21:14:43 0.977694 0.094385 BFGS: 3235 21:14:43 0.971173 0.094238 BFGS: 3236 21:14:43 0.964676 0.094091 BFGS: 3237 21:14:43 0.958202 0.093943 BFGS: 3238 21:14:43 0.951752 0.093796 BFGS: 3239 21:14:44 0.945326 0.093648 BFGS: 3240 21:14:44 0.938923 0.093500 BFGS: 3241 21:14:44 0.932544 0.093352 BFGS: 3242 21:14:44 0.926189 0.093204 BFGS: 3243 21:14:44 0.919857 0.093055 BFGS: 3244 21:14:44 0.913549 0.092906 BFGS: 3245 21:14:44 0.907265 0.092757 BFGS: 3246 21:14:45 0.901005 0.092608 BFGS: 3247 21:14:45 0.894768 0.092459 BFGS: 3248 21:14:45 0.888555 0.092309 BFGS: 3249 21:14:45 0.882365 0.092159 BFGS: 3250 21:14:45 0.876200 0.092009 BFGS: 3251 21:14:45 0.870058 0.091859 BFGS: 3252 21:14:45 0.863940 0.091708 BFGS: 3253 21:14:46 0.857845 0.091558 BFGS: 3254 21:14:46 0.851774 0.091407 BFGS: 3255 21:14:46 0.845727 0.091256 BFGS: 3256 21:14:46 0.839704 0.091104 BFGS: 3257 21:14:46 0.833704 0.090953 BFGS: 3258 21:14:46 0.827729 0.090801 BFGS: 3259 21:14:47 0.821776 0.090649 BFGS: 3260 21:14:47 0.815848 0.090497 BFGS: 3261 21:14:47 0.809943 0.090345 BFGS: 3262 21:14:47 0.804062 0.090192 BFGS: 3263 21:14:47 0.798205 0.090039 BFGS: 3264 21:14:47 0.792372 0.089886 BFGS: 3265 21:14:47 0.786562 0.089733 BFGS: 3266 21:14:48 0.780776 0.089580 BFGS: 3267 21:14:48 0.775014 0.089426 BFGS: 3268 21:14:48 0.769275 0.089272 BFGS: 3269 21:14:48 0.763560 0.089118 BFGS: 3270 21:14:49 0.757869 0.088964 BFGS: 3271 21:14:49 0.752202 0.088809 BFGS: 3272 21:14:49 0.746558 0.088655 BFGS: 3273 21:14:49 0.740938 0.088500 BFGS: 3274 21:14:49 0.735342 0.088344 BFGS: 3275 21:14:49 0.729770 0.088189 BFGS: 3276 21:14:50 0.724221 0.088033 BFGS: 3277 21:14:50 0.718696 0.087877 BFGS: 3278 21:14:50 0.713195 0.087721 BFGS: 3279 21:14:50 0.707718 0.087565 BFGS: 3280 21:14:50 0.702264 0.087408 BFGS: 3281 21:14:50 0.696834 0.087252 BFGS: 3282 21:14:51 0.691428 0.087095 BFGS: 3283 21:14:51 0.686046 0.086937 BFGS: 3284 21:14:51 0.680687 0.086780 BFGS: 3285 21:14:51 0.675352 0.086622 BFGS: 3286 21:14:51 0.670041 0.086464 BFGS: 3287 21:14:51 0.664754 0.086306 BFGS: 3288 21:14:52 0.659490 0.086148 BFGS: 3289 21:14:52 0.654250 0.085989 BFGS: 3290 21:14:52 0.649034 0.085830 BFGS: 3291 21:14:52 0.643842 0.085671 BFGS: 3292 21:14:53 0.638673 0.085512 BFGS: 3293 21:14:53 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0.005232 BFGS: 3635 21:16:45 0.002474 0.005153 BFGS: 3636 21:16:45 0.002399 0.005074 BFGS: 3637 21:16:45 0.002324 0.004995 BFGS: 3638 21:16:45 0.002251 0.004916 BFGS: 3639 21:16:45 0.002179 0.004837 BFGS: 3640 21:16:45 0.002108 0.004758 BFGS: 3641 21:16:46 0.002038 0.004680 BFGS: 3642 21:16:46 0.001970 0.004601 BFGS: 3643 21:16:46 0.001903 0.004522 BFGS: 3644 21:16:46 0.001836 0.004443 BFGS: 3645 21:16:47 0.001771 0.004364 BFGS: 3646 21:16:47 0.001708 0.004285 BFGS: 3647 21:16:47 0.001645 0.004206 BFGS: 3648 21:16:47 0.001583 0.004127 BFGS: 3649 21:16:47 0.001523 0.004048 BFGS: 3650 21:16:48 0.001464 0.003969 BFGS: 3651 21:16:48 0.001406 0.003890 BFGS: 3652 21:16:48 0.001349 0.003811 BFGS: 3653 21:16:48 0.001294 0.003732 BFGS: 3654 21:16:49 0.001239 0.003653 BFGS: 3655 21:16:49 0.001186 0.003574 BFGS: 3656 21:16:49 0.001134 0.003495 BFGS: 3657 21:16:49 0.001083 0.003416 BFGS: 3658 21:16:49 0.001033 0.003337 BFGS: 3659 21:16:50 0.000985 0.003258 BFGS: 3660 21:16:50 0.000938 0.003179 BFGS: 3661 21:16:50 0.000891 0.003100 BFGS: 3662 21:16:51 0.000846 0.003021 BFGS: 3663 21:16:51 0.000803 0.002942 BFGS: 3664 21:16:51 0.000760 0.002863 BFGS: 3665 21:16:51 0.000718 0.002784 BFGS: 3666 21:16:51 0.000678 0.002705 BFGS: 3667 21:16:51 0.000639 0.002626 BFGS: 3668 21:16:51 0.000601 0.002547 BFGS: 3669 21:16:52 0.000564 0.002468 BFGS: 3670 21:16:52 0.000528 0.002389 BFGS: 3671 21:16:52 0.000494 0.002310 BFGS: 3672 21:16:52 0.000461 0.002231 BFGS: 3673 21:16:53 0.000428 0.002152 BFGS: 3674 21:16:53 0.000397 0.002073 BFGS: 3675 21:16:53 0.000368 0.001993 BFGS: 3676 21:16:54 0.000339 0.001914 BFGS: 3677 21:16:54 0.000311 0.001835 BFGS: 3678 21:16:54 0.000285 0.001756 BFGS: 3679 21:16:54 0.000260 0.001677 BFGS: 3680 21:16:54 0.000236 0.001598 BFGS: 3681 21:16:55 0.000213 0.001519 BFGS: 3682 21:16:55 0.000191 0.001440 BFGS: 3683 21:16:55 0.000171 0.001360 BFGS: 3684 21:16:55 0.000152 0.001281 BFGS: 3685 21:16:55 0.000133 0.001202 BFGS: 3686 21:16:56 0.000116 0.001123 BFGS: 3687 21:16:56 0.000101 0.001044 BFGS: 3688 21:16:56 0.000086 0.000965 BFGS: 3689 21:16:56 0.000072 0.000886 BFGS: 3690 21:16:56 0.000060 0.000806 BFGS: 3691 21:16:57 0.000049 0.000727 BFGS: 3692 21:16:57 0.000039 0.000648 BFGS: 3693 21:16:57 0.000030 0.000569 BFGS: 3694 21:16:57 0.000022 0.000490 BFGS: 3695 21:16:57 0.000016 0.000410 BFGS: 3696 21:16:58 0.000010 0.000331 BFGS: 3697 21:16:58 0.000006 0.000252 BFGS: 3698 21:16:58 0.000003 0.000173 BFGS: 3699 21:16:58 0.000001 0.000093 BFGS: 3700 21:16:59 0.000000 0.000014 BFGS: 3701 21:16:59 0.000000 0.000000 Minimization converged after 3701 steps. Maximum force component: 1.1133169440713824e-09 eV/Angstrom Maximum stress component: 5.957410875333656e-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 = [[8.80977642e-32 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 0.00000000e+00 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([[34.78273821241719, 7.78941778191841e-32, 3.8896315413858104e-32], [1.5621979717150562e-31, 34.78273821241719, -6.057668659759361e-17], [-3.8967901162815466e-32, -6.057668659759358e-17, 34.78273821241719]]) 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] [ 6.30446346e-10 6.30446346e-10 1.11331694e-09] [-6.30446346e-10 -6.30446346e-10 1.11331694e-09] [-6.30446346e-10 6.30446346e-10 -1.11331694e-09] [ 6.30446346e-10 -6.30446346e-10 -1.11331694e-09] [ 1.11331694e-09 6.30446346e-10 6.30446346e-10] [ 1.11331694e-09 -6.30446346e-10 -6.30446346e-10] [-1.11331694e-09 -6.30446346e-10 6.30446346e-10] [-1.11331694e-09 6.30446346e-10 -6.30446346e-10] [ 6.30446346e-10 1.11331694e-09 6.30446346e-10] [-6.30446346e-10 1.11331694e-09 -6.30446346e-10] [ 6.30446346e-10 -1.11331694e-09 -6.30446346e-10] [-6.30446346e-10 -1.11331694e-09 6.30446346e-10] [ 6.30446346e-10 6.30446346e-10 -1.11331694e-09] [-6.30446346e-10 -6.30446346e-10 -1.11331694e-09] [ 6.30446346e-10 -6.30446346e-10 1.11331694e-09] [-6.30446346e-10 6.30446346e-10 1.11331694e-09] [ 6.30446346e-10 1.11331694e-09 -6.30446346e-10] [-6.30446346e-10 1.11331694e-09 6.30446346e-10] [-6.30446346e-10 -1.11331694e-09 -6.30446346e-10] [ 6.30446346e-10 -1.11331694e-09 6.30446346e-10] [ 1.11331694e-09 6.30446346e-10 -6.30446346e-10] [ 1.11331694e-09 -6.30446346e-10 6.30446346e-10] [-1.11331694e-09 6.30446346e-10 6.30446346e-10] [-1.11331694e-09 -6.30446346e-10 -6.30446346e-10] [ 6.30446346e-10 6.30446346e-10 -1.11331694e-09] [ 6.30446346e-10 -6.30446346e-10 1.11331694e-09] [-6.30446346e-10 6.30446346e-10 1.11331694e-09] [-1.11331694e-09 6.30446346e-10 6.30446346e-10] [ 1.11331694e-09 6.30446346e-10 -6.30446346e-10] [ 1.11331694e-09 -6.30446346e-10 6.30446346e-10] [ 6.30446346e-10 -1.11331694e-09 6.30446346e-10] [-6.30446346e-10 1.11331694e-09 6.30446346e-10] [ 6.30446346e-10 1.11331694e-09 -6.30446346e-10] [-6.30446346e-10 -6.30446346e-10 1.11331694e-09] [-6.30446346e-10 6.30446346e-10 -1.11331694e-09] [ 6.30446346e-10 -6.30446346e-10 -1.11331694e-09] [-6.30446346e-10 -1.11331694e-09 6.30446346e-10] [ 6.30446346e-10 -1.11331694e-09 -6.30446346e-10] [-6.30446346e-10 1.11331694e-09 -6.30446346e-10] [-1.11331694e-09 -6.30446346e-10 6.30446346e-10] [-1.11331694e-09 6.30446346e-10 -6.30446346e-10] [ 1.11331694e-09 -6.30446346e-10 -6.30446346e-10] [ 6.30446346e-10 6.30446346e-10 1.11331694e-09] [-6.30446346e-10 -6.30446346e-10 1.11331694e-09] [-6.30446346e-10 6.30446346e-10 -1.11331694e-09] [ 1.11331694e-09 6.30446346e-10 6.30446346e-10] [-1.11331694e-09 -6.30446346e-10 6.30446346e-10] [-1.11331694e-09 6.30446346e-10 -6.30446346e-10] [ 6.30446346e-10 1.11331694e-09 6.30446346e-10] [-6.30446346e-10 1.11331694e-09 -6.30446346e-10] [-6.30446346e-10 -1.11331694e-09 6.30446346e-10] [ 6.30446346e-10 6.30446346e-10 -1.11331694e-09] [-6.30446346e-10 -6.30446346e-10 -1.11331694e-09] [ 6.30446346e-10 -6.30446346e-10 1.11331694e-09] [ 6.30446346e-10 1.11331694e-09 -6.30446346e-10] [-6.30446346e-10 -1.11331694e-09 -6.30446346e-10] [ 6.30446346e-10 -1.11331694e-09 6.30446346e-10] [ 1.11331694e-09 6.30446346e-10 -6.30446346e-10] [ 1.11331694e-09 -6.30446346e-10 6.30446346e-10] [-1.11331694e-09 -6.30446346e-10 -6.30446346e-10] [ 6.30446346e-10 6.30446346e-10 -1.11331694e-09] [ 6.30446346e-10 -6.30446346e-10 1.11331694e-09] [ 1.11331694e-09 6.30446346e-10 -6.30446346e-10] [ 1.11331694e-09 -6.30446346e-10 6.30446346e-10] [ 6.30446346e-10 -1.11331694e-09 6.30446346e-10] [ 6.30446346e-10 1.11331694e-09 -6.30446346e-10] [-6.30446346e-10 -6.30446346e-10 1.11331694e-09] [-6.30446346e-10 6.30446346e-10 -1.11331694e-09] [-6.30446346e-10 -1.11331694e-09 6.30446346e-10] [-6.30446346e-10 1.11331694e-09 -6.30446346e-10] [-1.11331694e-09 -6.30446346e-10 6.30446346e-10] [-1.11331694e-09 6.30446346e-10 -6.30446346e-10] [ 6.30446346e-10 6.30446346e-10 1.11331694e-09] [ 6.30446346e-10 -6.30446346e-10 -1.11331694e-09] [ 1.11331694e-09 6.30446346e-10 6.30446346e-10] [ 1.11331694e-09 -6.30446346e-10 -6.30446346e-10] [ 6.30446346e-10 1.11331694e-09 6.30446346e-10] [ 6.30446346e-10 -1.11331694e-09 -6.30446346e-10] [-6.30446346e-10 -6.30446346e-10 -1.11331694e-09] [-6.30446346e-10 6.30446346e-10 1.11331694e-09] [-6.30446346e-10 1.11331694e-09 6.30446346e-10] [-6.30446346e-10 -1.11331694e-09 -6.30446346e-10] [-1.11331694e-09 6.30446346e-10 6.30446346e-10] [-1.11331694e-09 -6.30446346e-10 -6.30446346e-10] [-6.30446346e-10 6.30446346e-10 1.11331694e-09] [-1.11331694e-09 6.30446346e-10 6.30446346e-10] [-6.30446346e-10 1.11331694e-09 6.30446346e-10] [ 6.30446346e-10 -6.30446346e-10 -1.11331694e-09] [ 6.30446346e-10 -1.11331694e-09 -6.30446346e-10] [ 1.11331694e-09 -6.30446346e-10 -6.30446346e-10] [ 6.30446346e-10 6.30446346e-10 1.11331694e-09] [ 1.11331694e-09 6.30446346e-10 6.30446346e-10] [ 6.30446346e-10 1.11331694e-09 6.30446346e-10] [-6.30446346e-10 -6.30446346e-10 -1.11331694e-09] [-6.30446346e-10 -1.11331694e-09 -6.30446346e-10] [-1.11331694e-09 -6.30446346e-10 -6.30446346e-10]] stress = [-5.95741088e-12 -5.95741088e-12 -5.95741088e-12 -2.10880347e-30 -3.81381893e-60 5.97596454e-60] energy per atom = 3.102093745276173e-17 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0