element(s): ['O', 'Si'] AFLOW prototype label: A2B_mC72_5_12c_ab5c Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y1', 'y2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['13.7426', '1.002605', '0.71075342', '89.8996', '0.71156954', '0.28756338', '0.25617484', '0.73251933', '0.23106435', '0.23531536', '0.56074042', '0.12381794', '0.76451479', '0.43851711', '0.62485211', '0.93875667', '0.23596385', '0.37578981', '0.060525646', '0.76404866', '0.8756396', '0.082452743', '0.65891552', '0.095317351', '0.91822479', '0.34117668', '0.59537201', '0.34205783', '0.58297604', '0.34701327', '0.65845888', '0.41729957', '0.84606861', '0.232347', '0.74379602', '0.98082004', '0.7676371', '0.25583288', '0.47998259', '0.74384278', '0.2681329', '0.73036111', '0.71153792', '0.50047257', '0.75024911', '0.17378943', '0.79913936', '0.85728546', '0.82678334', '0.20134132', '0.35751208', '0.79986798', '0.3255678', '0.60703473', '0.20053519', '0.6739935', '0.10833149'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[2.4382516e-01 2.3251933e-01 7.6893565e-01] [2.6468464e-01 6.0740420e-02 8.7618206e-01] [7.3548521e-01 9.3851711e-01 3.7514789e-01] [5.6124333e-01 7.3596385e-01 6.2421019e-01] [4.3947435e-01 2.6404866e-01 1.2436040e-01] [4.1754726e-01 1.5891552e-01 9.0468265e-01] [5.8177521e-01 8.4117668e-01 4.0462799e-01] [1.5794217e-01 8.2976040e-02 6.5298673e-01] [8.4154112e-01 9.1729957e-01 1.5393139e-01] [2.6765300e-01 2.4379602e-01 1.9179960e-02] [7.3236290e-01 7.5583288e-01 5.2001741e-01] [7.5615722e-01 7.6813290e-01 2.6963889e-01] [0.0000000e+00 7.1156954e-01 0.0000000e+00] [0.0000000e+00 2.8756338e-01 5.0000000e-01] [7.8846208e-01 4.7257000e-04 2.4975089e-01] [3.2621057e-01 2.9913936e-01 1.4271454e-01] [6.7321666e-01 7.0134132e-01 6.4248792e-01] [7.0013202e-01 8.2556780e-01 3.9296527e-01] [2.9946481e-01 1.7399350e-01 8.9166851e-01]] spacegroup = 5 cell = [[13.7426, 0, 0], [0, 13.7784, 0], [0.017115859954477, 0, 9.767585003845]] ========================================= Step Time Energy fmax BFGS: 0 13:53:59 -617.464304 2.429752 BFGS: 1 13:53:59 -619.330869 1.226244 BFGS: 2 13:53:59 -619.812420 0.319828 BFGS: 3 13:53:59 -619.848446 0.250586 BFGS: 4 13:53:59 -619.886832 0.235371 BFGS: 5 13:53:59 -619.916677 0.254138 BFGS: 6 13:54:00 -619.932019 0.273031 BFGS: 7 13:54:00 -619.952130 0.290867 BFGS: 8 13:54:00 -619.984273 0.294140 BFGS: 9 13:54:00 -620.024406 0.335493 BFGS: 10 13:54:00 -620.066221 0.364435 BFGS: 11 13:54:00 -620.108739 0.361532 BFGS: 12 13:54:00 -620.150423 0.339589 BFGS: 13 13:54:00 -620.190198 0.308176 BFGS: 14 13:54:00 -620.227733 0.273142 BFGS: 15 13:54:00 -620.263240 0.241814 BFGS: 16 13:54:00 -620.297238 0.233540 BFGS: 17 13:54:00 -620.330465 0.226750 BFGS: 18 13:54:00 -620.363590 0.223712 BFGS: 19 13:54:00 -620.397066 0.221164 BFGS: 20 13:54:00 -620.431316 0.221856 BFGS: 21 13:54:00 -620.466560 0.244937 BFGS: 22 13:54:00 -620.503061 0.264731 BFGS: 23 13:54:00 -620.541010 0.281498 BFGS: 24 13:54:00 -620.580706 0.294397 BFGS: 25 13:54:00 -620.621495 0.303380 BFGS: 26 13:54:00 -620.663752 0.308596 BFGS: 27 13:54:00 -620.707562 0.309588 BFGS: 28 13:54:01 -620.752809 0.304739 BFGS: 29 13:54:01 -620.799429 0.316339 BFGS: 30 13:54:01 -620.846807 0.325639 BFGS: 31 13:54:01 -620.894104 0.329269 BFGS: 32 13:54:01 -620.939121 0.323244 BFGS: 33 13:54:01 -620.972520 0.289512 BFGS: 34 13:54:01 -620.981125 0.263180 BFGS: 35 13:54:01 -620.992427 0.217411 BFGS: 36 13:54:01 -620.996850 0.193850 BFGS: 37 13:54:01 -621.000195 0.185531 BFGS: 38 13:54:01 -621.007617 0.179200 BFGS: 39 13:54:01 -621.016167 0.182219 BFGS: 40 13:54:01 -621.025440 0.191786 BFGS: 41 13:54:01 -621.033586 0.198002 BFGS: 42 13:54:01 -621.042666 0.193946 BFGS: 43 13:54:01 -621.054056 0.175018 BFGS: 44 13:54:01 -621.063398 0.154704 BFGS: 45 13:54:01 -621.072268 0.134901 BFGS: 46 13:54:02 -621.080708 0.116085 BFGS: 47 13:54:02 -621.088495 0.098381 BFGS: 48 13:54:02 -621.095360 0.084090 BFGS: 49 13:54:02 -621.101058 0.072410 BFGS: 50 13:54:02 -621.105421 0.083651 BFGS: 51 13:54:02 -621.108476 0.092153 BFGS: 52 13:54:02 -621.110236 0.092286 BFGS: 53 13:54:02 -621.113010 0.085319 BFGS: 54 13:54:03 -621.115194 0.074541 BFGS: 55 13:54:03 -621.116807 0.067223 BFGS: 56 13:54:03 -621.118068 0.066752 BFGS: 57 13:54:03 -621.119636 0.067367 BFGS: 58 13:54:03 -621.121878 0.068499 BFGS: 59 13:54:03 -621.124684 0.068314 BFGS: 60 13:54:03 -621.127947 0.074165 BFGS: 61 13:54:04 -621.131763 0.082340 BFGS: 62 13:54:04 -621.135995 0.084771 BFGS: 63 13:54:04 -621.140351 0.079937 BFGS: 64 13:54:04 -621.144287 0.077585 BFGS: 65 13:54:04 -621.147036 0.074298 BFGS: 66 13:54:04 -621.148927 0.052526 BFGS: 67 13:54:04 -621.150678 0.038234 BFGS: 68 13:54:04 -621.151584 0.035845 BFGS: 69 13:54:04 -621.152408 0.032739 BFGS: 70 13:54:05 -621.153309 0.030793 BFGS: 71 13:54:05 -621.154255 0.032621 BFGS: 72 13:54:05 -621.155078 0.037533 BFGS: 73 13:54:05 -621.155830 0.037350 BFGS: 74 13:54:05 -621.156615 0.034762 BFGS: 75 13:54:05 -621.157468 0.037310 BFGS: 76 13:54:05 -621.158124 0.037255 BFGS: 77 13:54:05 -621.158480 0.034259 BFGS: 78 13:54:05 -621.158770 0.031282 BFGS: 79 13:54:05 -621.159260 0.028245 BFGS: 80 13:54:05 -621.160201 0.032523 BFGS: 81 13:54:06 -621.161463 0.045323 BFGS: 82 13:54:06 -621.162826 0.054833 BFGS: 83 13:54:06 -621.164356 0.061455 BFGS: 84 13:54:06 -621.166047 0.066616 BFGS: 85 13:54:06 -621.167741 0.071454 BFGS: 86 13:54:06 -621.169499 0.075944 BFGS: 87 13:54:06 -621.171315 0.080268 BFGS: 88 13:54:06 -621.173180 0.084444 BFGS: 89 13:54:06 -621.175086 0.088489 BFGS: 90 13:54:06 -621.177031 0.092339 BFGS: 91 13:54:06 -621.179028 0.095974 BFGS: 92 13:54:06 -621.181073 0.099473 BFGS: 93 13:54:06 -621.183127 0.103003 BFGS: 94 13:54:06 -621.185240 0.105331 BFGS: 95 13:54:06 -621.187530 0.108449 BFGS: 96 13:54:06 -621.189998 0.110416 BFGS: 97 13:54:06 -621.192621 0.114484 BFGS: 98 13:54:06 -621.195422 0.118118 BFGS: 99 13:54:07 -621.198399 0.121567 BFGS: 100 13:54:07 -621.201558 0.124327 BFGS: 101 13:54:07 -621.204938 0.134927 BFGS: 102 13:54:07 -621.208585 0.139659 BFGS: 103 13:54:07 -621.211927 0.129067 BFGS: 104 13:54:07 -621.216591 0.131305 BFGS: 105 13:54:07 -621.221858 0.145593 BFGS: 106 13:54:07 -621.227322 0.142905 BFGS: 107 13:54:07 -621.233027 0.140010 BFGS: 108 13:54:07 -621.242190 0.145561 BFGS: 109 13:54:08 -621.248743 0.142792 BFGS: 110 13:54:08 -621.255437 0.142975 BFGS: 111 13:54:08 -621.262106 0.143336 BFGS: 112 13:54:08 -621.269013 0.145770 BFGS: 113 13:54:08 -621.275731 0.141881 BFGS: 114 13:54:08 -621.282487 0.140047 BFGS: 115 13:54:08 -621.289238 0.138842 BFGS: 116 13:54:08 -621.295942 0.138388 BFGS: 117 13:54:08 -621.302601 0.138730 BFGS: 118 13:54:08 -621.309191 0.139909 BFGS: 119 13:54:08 -621.315697 0.142112 BFGS: 120 13:54:08 -621.322130 0.149458 BFGS: 121 13:54:08 -621.328490 0.157121 BFGS: 122 13:54:09 -621.334782 0.165128 BFGS: 123 13:54:09 -621.341020 0.173376 BFGS: 124 13:54:09 -621.347207 0.181865 BFGS: 125 13:54:09 -621.353346 0.190626 BFGS: 126 13:54:09 -621.359443 0.199594 BFGS: 127 13:54:09 -621.365491 0.208733 BFGS: 128 13:54:09 -621.371478 0.218237 BFGS: 129 13:54:09 -621.377387 0.227981 BFGS: 130 13:54:09 -621.383204 0.237899 BFGS: 131 13:54:09 -621.388901 0.247826 BFGS: 132 13:54:09 -621.394481 0.257717 BFGS: 133 13:54:09 -621.399948 0.267566 BFGS: 134 13:54:09 -621.405308 0.277457 BFGS: 135 13:54:09 -621.410568 0.289694 BFGS: 136 13:54:09 -621.415738 0.302398 BFGS: 137 13:54:10 -621.420823 0.315144 BFGS: 138 13:54:10 -621.425831 0.327912 BFGS: 139 13:54:10 -621.430754 0.340586 BFGS: 140 13:54:10 -621.435593 0.353156 BFGS: 141 13:54:10 -621.440341 0.365564 BFGS: 142 13:54:10 -621.444997 0.377800 BFGS: 143 13:54:10 -621.449558 0.389812 BFGS: 144 13:54:10 -621.454021 0.401539 BFGS: 145 13:54:10 -621.458370 0.414079 BFGS: 146 13:54:10 -621.462590 0.428837 BFGS: 147 13:54:10 -621.466901 0.443042 BFGS: 148 13:54:10 -621.471529 0.457366 BFGS: 149 13:54:10 -621.476108 0.470695 BFGS: 150 13:54:10 -621.479699 0.476488 BFGS: 151 13:54:10 -621.482907 0.473422 BFGS: 152 13:54:10 -621.486014 0.458425 BFGS: 153 13:54:10 -621.487891 0.441006 BFGS: 154 13:54:10 -621.489317 0.423817 BFGS: 155 13:54:11 -621.490495 0.405336 BFGS: 156 13:54:11 -621.491440 0.386847 BFGS: 157 13:54:11 -621.492178 0.366544 BFGS: 158 13:54:11 -621.492749 0.346395 BFGS: 159 13:54:11 -621.493204 0.331643 BFGS: 160 13:54:11 -621.494073 0.315264 BFGS: 161 13:54:11 -621.495328 0.298867 BFGS: 162 13:54:11 -621.496854 0.303105 BFGS: 163 13:54:11 -621.497824 0.313251 BFGS: 164 13:54:11 -621.498428 0.332023 BFGS: 165 13:54:11 -621.498730 0.343992 BFGS: 166 13:54:12 -621.498916 0.350868 BFGS: 167 13:54:12 -621.499293 0.356152 BFGS: 168 13:54:12 -621.499747 0.356889 BFGS: 169 13:54:12 -621.500410 0.349118 BFGS: 170 13:54:12 -621.501206 0.336573 BFGS: 171 13:54:12 -621.502249 0.323543 BFGS: 172 13:54:12 -621.503546 0.317764 BFGS: 173 13:54:12 -621.505086 0.313990 BFGS: 174 13:54:13 -621.506828 0.315394 BFGS: 175 13:54:13 -621.508716 0.317734 BFGS: 176 13:54:13 -621.510638 0.319338 BFGS: 177 13:54:13 -621.512211 0.318175 BFGS: 178 13:54:13 -621.513098 0.316250 BFGS: 179 13:54:13 -621.513463 0.310345 BFGS: 180 13:54:13 -621.513702 0.306462 BFGS: 181 13:54:13 -621.513953 0.304949 BFGS: 182 13:54:14 -621.514289 0.306443 BFGS: 183 13:54:14 -621.514665 0.309818 BFGS: 184 13:54:14 -621.515027 0.312597 BFGS: 185 13:54:14 -621.515426 0.313499 BFGS: 186 13:54:14 -621.515963 0.311980 BFGS: 187 13:54:14 -621.516739 0.308235 BFGS: 188 13:54:14 -621.517784 0.303267 BFGS: 189 13:54:15 -621.518929 0.300544 BFGS: 190 13:54:15 -621.519892 0.301353 BFGS: 191 13:54:15 -621.520684 0.305415 BFGS: 192 13:54:15 -621.521467 0.309765 BFGS: 193 13:54:15 -621.522341 0.310920 BFGS: 194 13:54:15 -621.523106 0.306531 BFGS: 195 13:54:15 -621.523721 0.298351 BFGS: 196 13:54:16 -621.524222 0.290581 BFGS: 197 13:54:16 -621.524730 0.284326 BFGS: 198 13:54:16 -621.525345 0.281429 BFGS: 199 13:54:16 -621.525918 0.282505 BFGS: 200 13:54:17 -621.526294 0.286515 BFGS: 201 13:54:17 -621.526465 0.288449 BFGS: 202 13:54:17 -621.526535 0.288152 BFGS: 203 13:54:17 -621.526574 0.286175 BFGS: 204 13:54:17 -621.526603 0.284065 BFGS: 205 13:54:17 -621.526627 0.282001 BFGS: 206 13:54:17 -621.526648 0.281012 BFGS: 207 13:54:17 -621.526665 0.280749 BFGS: 208 13:54:17 -621.526677 0.281334 BFGS: 209 13:54:17 -621.526687 0.281800 BFGS: 210 13:54:17 -621.526697 0.282196 BFGS: 211 13:54:18 -621.526707 0.282083 BFGS: 212 13:54:18 -621.526720 0.281731 BFGS: 213 13:54:18 -621.526739 0.280969 BFGS: 214 13:54:18 -621.526765 0.280242 BFGS: 215 13:54:18 -621.526798 0.279681 BFGS: 216 13:54:18 -621.526843 0.279608 BFGS: 217 13:54:18 -621.526919 0.279865 BFGS: 218 13:54:19 -621.527062 0.280538 BFGS: 219 13:54:19 -621.527307 0.281338 BFGS: 220 13:54:19 -621.527615 0.281681 BFGS: 221 13:54:19 -621.527840 0.280878 BFGS: 222 13:54:20 -621.527923 0.280129 BFGS: 223 13:54:20 -621.527948 0.280034 BFGS: 224 13:54:20 -621.527963 0.280357 BFGS: 225 13:54:20 -621.527975 0.280858 BFGS: 226 13:54:20 -621.527983 0.281143 BFGS: 227 13:54:20 -621.527988 0.281021 BFGS: 228 13:54:21 -621.527991 0.280573 BFGS: 229 13:54:21 -621.527995 0.279833 BFGS: 230 13:54:21 -621.528001 0.278880 BFGS: 231 13:54:21 -621.528010 0.277634 BFGS: 232 13:54:21 -621.528029 0.275933 BFGS: 233 13:54:21 -621.528072 0.273521 BFGS: 234 13:54:22 -621.528168 0.270115 BFGS: 235 13:54:22 -621.528389 0.268915 BFGS: 236 13:54:22 -621.528776 0.270991 BFGS: 237 13:54:22 -621.529205 0.272056 BFGS: 238 13:54:22 -621.529672 0.272499 BFGS: 239 13:54:22 -621.530169 0.272564 BFGS: 240 13:54:23 -621.530688 0.272392 BFGS: 241 13:54:23 -621.531224 0.272065 BFGS: 242 13:54:23 -621.531775 0.271632 BFGS: 243 13:54:23 -621.532337 0.271126 BFGS: 244 13:54:23 -621.532908 0.270565 BFGS: 245 13:54:23 -621.533487 0.269963 BFGS: 246 13:54:23 -621.534072 0.269330 BFGS: 247 13:54:23 -621.534663 0.268672 BFGS: 248 13:54:23 -621.535258 0.267994 BFGS: 249 13:54:24 -621.535857 0.267300 BFGS: 250 13:54:24 -621.536460 0.266592 BFGS: 251 13:54:24 -621.537066 0.265873 BFGS: 252 13:54:24 -621.537674 0.265144 BFGS: 253 13:54:24 -621.538284 0.264407 BFGS: 254 13:54:24 -621.538896 0.263679 BFGS: 255 13:54:24 -621.539509 0.262946 BFGS: 256 13:54:24 -621.540122 0.262210 BFGS: 257 13:54:24 -621.540737 0.261469 BFGS: 258 13:54:24 -621.541352 0.260725 BFGS: 259 13:54:25 -621.541968 0.259977 BFGS: 260 13:54:25 -621.542583 0.259227 BFGS: 261 13:54:25 -621.543198 0.258475 BFGS: 262 13:54:25 -621.543813 0.257721 BFGS: 263 13:54:25 -621.544427 0.256965 BFGS: 264 13:54:25 -621.545041 0.256211 BFGS: 265 13:54:25 -621.545653 0.255449 BFGS: 266 13:54:25 -621.546265 0.254677 BFGS: 267 13:54:25 -621.546875 0.253909 BFGS: 268 13:54:26 -621.547484 0.253140 BFGS: 269 13:54:26 -621.548091 0.252375 BFGS: 270 13:54:26 -621.548697 0.251618 BFGS: 271 13:54:26 -621.549302 0.250865 BFGS: 272 13:54:26 -621.549904 0.250112 BFGS: 273 13:54:26 -621.550506 0.249361 BFGS: 274 13:54:26 -621.551105 0.248610 BFGS: 275 13:54:26 -621.551702 0.247861 BFGS: 276 13:54:27 -621.552297 0.247113 BFGS: 277 13:54:27 -621.552891 0.246366 BFGS: 278 13:54:27 -621.553482 0.245621 BFGS: 279 13:54:27 -621.554071 0.244878 BFGS: 280 13:54:27 -621.554658 0.244137 BFGS: 281 13:54:27 -621.555243 0.243398 BFGS: 282 13:54:27 -621.555826 0.242660 BFGS: 283 13:54:27 -621.556406 0.241924 BFGS: 284 13:54:27 -621.556984 0.241189 BFGS: 285 13:54:27 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-621.682189 0.163783 BFGS: 1984 13:57:14 -621.682189 0.163799 BFGS: 1985 13:57:14 -621.682189 0.163744 BFGS: 1986 13:57:14 -621.682189 0.163741 BFGS: 1987 13:57:14 -621.682189 0.163816 BFGS: 1988 13:57:14 -621.682189 0.163781 BFGS: 1989 13:57:14 -621.682189 0.163788 BFGS: 1990 13:57:15 -621.682189 0.163789 BFGS: 1991 13:57:15 -621.682189 0.163781 BFGS: 1992 13:57:15 -621.682189 0.163764 BFGS: 1993 13:57:15 -621.682189 0.163718 BFGS: 1994 13:57:15 -621.682189 0.163899 BFGS: 1995 13:57:15 -621.682189 0.163751 BFGS: 1996 13:57:15 -621.682189 0.163890 BFGS: 1997 13:57:15 -621.682189 0.163754 BFGS: 1998 13:57:15 -621.682189 0.163855 BFGS: 1999 13:57:15 -621.682189 0.163776 BFGS: 2000 13:57:15 -621.682189 0.163824 BFGS: 2001 13:57:15 -621.682189 0.163752 BFGS: 2002 13:57:15 -621.682189 0.163847 BFGS: 2003 13:57:15 -621.682189 0.163774 BFGS: 2004 13:57:15 -621.682189 0.163839 BFGS: 2005 13:57:15 -621.682189 0.163810 BFGS: 2006 13:57:16 -621.682189 0.163817 BFGS: 2007 13:57:16 -621.682189 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-621.684898 0.165005 BFGS: 8408 14:01:46 -621.684900 0.165008 BFGS: 8409 14:01:46 -621.684901 0.165011 BFGS: 8410 14:01:46 -621.684903 0.165011 BFGS: 8411 14:01:46 -621.684904 0.165010 BFGS: 8412 14:01:46 -621.684906 0.165008 BFGS: 8413 14:01:46 -621.684907 0.165007 BFGS: 8414 14:01:46 -621.684909 0.165004 BFGS: 8415 14:01:46 -621.684910 0.165001 BFGS: 8416 14:01:46 -621.684912 0.164998 BFGS: 8417 14:01:46 -621.684913 0.164997 BFGS: 8418 14:01:46 -621.684915 0.164999 BFGS: 8419 14:01:46 -621.684916 0.165001 BFGS: 8420 14:01:46 -621.684918 0.165002 BFGS: 8421 14:01:47 -621.684919 0.165003 BFGS: 8422 14:01:47 -621.684921 0.165006 BFGS: 8423 14:01:47 -621.684922 0.165003 BFGS: 8424 14:01:47 -621.684924 0.165000 BFGS: 8425 14:01:47 -621.684925 0.165000 BFGS: 8426 14:01:47 -621.684927 0.164998 BFGS: 8427 14:01:47 -621.684928 0.164998 BFGS: 8428 14:01:47 -621.684930 0.165002 BFGS: 8429 14:01:47 -621.684931 0.165003 BFGS: 8430 14:01:47 -621.684933 0.165000 BFGS: 8431 14:01:47 -621.684934 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-621.685008 0.164645 BFGS: 8481 14:01:49 -621.685009 0.164641 BFGS: 8482 14:01:49 -621.685011 0.164637 BFGS: 8483 14:01:49 -621.685012 0.164634 BFGS: 8484 14:01:49 -621.685014 0.164632 BFGS: 8485 14:01:49 -621.685016 0.164630 BFGS: 8486 14:01:49 -621.685017 0.164627 BFGS: 8487 14:01:49 -621.685019 0.164623 BFGS: 8488 14:01:49 -621.685020 0.164617 BFGS: 8489 14:01:50 -621.685022 0.164613 BFGS: 8490 14:01:50 -621.685023 0.164610 BFGS: 8491 14:01:50 -621.685025 0.164608 BFGS: 8492 14:01:50 -621.685026 0.164606 BFGS: 8493 14:01:50 -621.685028 0.164604 BFGS: 8494 14:01:50 -621.685029 0.164603 BFGS: 8495 14:01:50 -621.685031 0.164597 BFGS: 8496 14:01:50 -621.685032 0.164592 BFGS: 8497 14:01:50 -621.685034 0.164589 BFGS: 8498 14:01:50 -621.685035 0.164588 BFGS: 8499 14:01:50 -621.685037 0.164587 BFGS: 8500 14:01:50 -621.685038 0.164586 BFGS: 8501 14:01:50 -621.685040 0.164587 BFGS: 8502 14:01:50 -621.685041 0.164588 BFGS: 8503 14:01:50 -621.685043 0.164589 BFGS: 8504 14:01:50 -621.685044 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-621.685120 0.164959 BFGS: 8554 14:01:52 -621.685121 0.164981 BFGS: 8555 14:01:52 -621.685123 0.165002 BFGS: 8556 14:01:53 -621.685124 0.165023 BFGS: 8557 14:01:53 -621.685126 0.165049 BFGS: 8558 14:01:53 -621.685127 0.165074 BFGS: 8559 14:01:53 -621.685129 0.165098 BFGS: 8560 14:01:53 -621.685130 0.165114 BFGS: 8561 14:01:53 -621.685132 0.165133 BFGS: 8562 14:01:53 -621.685133 0.165151 BFGS: 8563 14:01:53 -621.685135 0.165168 BFGS: 8564 14:01:53 -621.685136 0.165180 BFGS: 8565 14:01:53 -621.685138 0.165190 BFGS: 8566 14:01:53 -621.685139 0.165202 BFGS: 8567 14:01:53 -621.685141 0.165216 BFGS: 8568 14:01:53 -621.685142 0.165228 BFGS: 8569 14:01:53 -621.685144 0.165234 BFGS: 8570 14:01:53 -621.685145 0.165244 BFGS: 8571 14:01:53 -621.685147 0.165250 BFGS: 8572 14:01:53 -621.685148 0.165256 BFGS: 8573 14:01:53 -621.685150 0.165261 BFGS: 8574 14:01:53 -621.685151 0.165263 BFGS: 8575 14:01:53 -621.685153 0.165265 BFGS: 8576 14:01:53 -621.685154 0.165269 BFGS: 8577 14:01:53 -621.685156 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-621.685230 0.165064 BFGS: 8627 14:01:56 -621.685232 0.165049 BFGS: 8628 14:01:56 -621.685233 0.165031 BFGS: 8629 14:01:56 -621.685235 0.165011 BFGS: 8630 14:01:56 -621.685236 0.164994 BFGS: 8631 14:01:56 -621.685238 0.164975 BFGS: 8632 14:01:56 -621.685239 0.164966 BFGS: 8633 14:01:56 -621.685241 0.164951 BFGS: 8634 14:01:56 -621.685242 0.164933 BFGS: 8635 14:01:56 -621.685243 0.164920 BFGS: 8636 14:01:56 -621.685245 0.164903 BFGS: 8637 14:01:56 -621.685246 0.164889 BFGS: 8638 14:01:56 -621.685248 0.164880 BFGS: 8639 14:01:56 -621.685249 0.164870 BFGS: 8640 14:01:56 -621.685251 0.164856 BFGS: 8641 14:01:56 -621.685252 0.164842 BFGS: 8642 14:01:56 -621.685254 0.164824 BFGS: 8643 14:01:56 -621.685255 0.164819 BFGS: 8644 14:01:56 -621.685256 0.164815 BFGS: 8645 14:01:56 -621.685258 0.164810 BFGS: 8646 14:01:56 -621.685259 0.164803 BFGS: 8647 14:01:56 -621.685261 0.164800 BFGS: 8648 14:01:56 -621.685262 0.164797 BFGS: 8649 14:01:56 -621.685264 0.164793 BFGS: 8650 14:01:56 -621.685265 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-621.685441 0.165247 BFGS: 8846 14:02:03 -621.685441 0.165292 BFGS: 8847 14:02:03 -621.685442 0.165333 BFGS: 8848 14:02:03 -621.685442 0.165356 BFGS: 8849 14:02:03 -621.685442 0.165332 BFGS: 8850 14:02:03 -621.685443 0.165275 BFGS: 8851 14:02:03 -621.685445 0.165199 BFGS: 8852 14:02:03 -621.685446 0.165143 BFGS: 8853 14:02:03 -621.685448 0.165080 BFGS: 8854 14:02:03 -621.685450 0.165057 BFGS: 8855 14:02:03 -621.685452 0.164979 BFGS: 8856 14:02:03 -621.685455 0.164977 BFGS: 8857 14:02:03 -621.685457 0.165062 BFGS: 8858 14:02:03 -621.685458 0.165086 BFGS: 8859 14:02:03 -621.685460 0.165137 BFGS: 8860 14:02:03 -621.685462 0.165190 BFGS: 8861 14:02:03 -621.685464 0.165260 BFGS: 8862 14:02:03 -621.685466 0.165341 BFGS: 8863 14:02:03 -621.685467 0.165410 BFGS: 8864 14:02:03 -621.685469 0.165525 BFGS: 8865 14:02:03 -621.685471 0.165592 BFGS: 8866 14:02:03 -621.685473 0.165840 BFGS: 8867 14:02:03 -621.685475 0.165970 BFGS: 8868 14:02:03 -621.685476 0.166065 BFGS: 8869 14:02:04 -621.685477 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-621.685515 0.166914 BFGS: 8919 14:02:05 -621.685515 0.166905 BFGS: 8920 14:02:05 -621.685525 0.165839 BFGS: 8921 14:02:05 -621.685529 0.165374 BFGS: 8922 14:02:05 -621.685532 0.165051 BFGS: 8923 14:02:05 -621.685535 0.164715 BFGS: 8924 14:02:05 -621.685539 0.164536 BFGS: 8925 14:02:05 -621.685550 0.164211 BFGS: 8926 14:02:05 -621.685551 0.164226 BFGS: 8927 14:02:05 -621.685552 0.165121 BFGS: 8928 14:02:05 -621.685555 0.165004 BFGS: 8929 14:02:05 -621.685557 0.165324 BFGS: 8930 14:02:05 -621.685558 0.165428 BFGS: 8931 14:02:05 -621.685559 0.165534 BFGS: 8932 14:02:05 -621.685560 0.165623 BFGS: 8933 14:02:05 -621.685561 0.165831 BFGS: 8934 14:02:05 -621.685562 0.165989 BFGS: 8935 14:02:05 -621.685563 0.166060 BFGS: 8936 14:02:05 -621.685564 0.166175 BFGS: 8937 14:02:05 -621.685565 0.166069 BFGS: 8938 14:02:05 -621.685565 0.165901 BFGS: 8939 14:02:05 -621.685566 0.165971 BFGS: 8940 14:02:05 -621.685567 0.165651 BFGS: 8941 14:02:06 -621.685567 0.165553 BFGS: 8942 14:02:06 -621.685568 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-621.685719 0.166099 BFGS: 9211 14:02:14 -621.685721 0.166087 BFGS: 9212 14:02:14 -621.685722 0.166076 BFGS: 9213 14:02:14 -621.685723 0.166075 BFGS: 9214 14:02:14 -621.685724 0.166078 BFGS: 9215 14:02:14 -621.685725 0.166083 BFGS: 9216 14:02:14 -621.685726 0.166087 BFGS: 9217 14:02:14 -621.685727 0.166094 BFGS: 9218 14:02:14 -621.685728 0.166108 BFGS: 9219 14:02:14 -621.685730 0.166120 BFGS: 9220 14:02:14 -621.685731 0.166131 BFGS: 9221 14:02:14 -621.685732 0.166141 BFGS: 9222 14:02:14 -621.685733 0.166150 BFGS: 9223 14:02:14 -621.685734 0.166161 BFGS: 9224 14:02:14 -621.685735 0.166171 BFGS: 9225 14:02:14 -621.685737 0.166180 BFGS: 9226 14:02:15 -621.685738 0.166188 BFGS: 9227 14:02:15 -621.685739 0.166197 BFGS: 9228 14:02:15 -621.685740 0.166210 BFGS: 9229 14:02:15 -621.685741 0.166221 BFGS: 9230 14:02:15 -621.685742 0.166228 BFGS: 9231 14:02:15 -621.685744 0.166234 BFGS: 9232 14:02:15 -621.685745 0.166239 BFGS: 9233 14:02:15 -621.685746 0.166244 BFGS: 9234 14:02:15 -621.685747 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0.166335 BFGS: 9673 14:02:29 -621.686569 0.166155 BFGS: 9674 14:02:29 -621.686569 0.166209 BFGS: 9675 14:02:29 -621.686569 0.166302 BFGS: 9676 14:02:29 -621.686569 0.166392 BFGS: 9677 14:02:29 -621.686569 0.166461 BFGS: 9678 14:02:29 -621.686569 0.166475 BFGS: 9679 14:02:29 -621.686569 0.166444 BFGS: 9680 14:02:29 -621.686569 0.166417 BFGS: 9681 14:02:29 -621.686569 0.166407 BFGS: 9682 14:02:29 -621.686569 0.166401 BFGS: 9683 14:02:29 -621.686569 0.166400 BFGS: 9684 14:02:29 -621.686569 0.166402 BFGS: 9685 14:02:29 -621.686569 0.166407 BFGS: 9686 14:02:29 -621.686569 0.166421 BFGS: 9687 14:02:29 -621.686569 0.166437 BFGS: 9688 14:02:29 -621.686569 0.166457 BFGS: 9689 14:02:29 -621.686569 0.166469 BFGS: 9690 14:02:29 -621.686570 0.166440 BFGS: 9691 14:02:29 -621.686571 0.166317 BFGS: 9692 14:02:29 -621.686574 0.166031 BFGS: 9693 14:02:29 -621.686578 0.165681 BFGS: 9694 14:02:29 -621.686583 0.165404 BFGS: 9695 14:02:29 -621.686587 0.165218 BFGS: 9696 14:02:29 -621.686592 0.165124 BFGS: 9697 14:02:29 -621.686597 0.165115 BFGS: 9698 14:02:29 -621.686601 0.165183 BFGS: 9699 14:02:30 -621.686605 0.165316 BFGS: 9700 14:02:30 -621.686608 0.165539 BFGS: 9701 14:02:30 -621.686610 0.165860 BFGS: 9702 14:02:30 -621.686611 0.166191 BFGS: 9703 14:02:30 -621.686611 0.166268 BFGS: 9704 14:02:30 -621.686611 0.166347 BFGS: 9705 14:02:30 -621.686611 0.166351 BFGS: 9706 14:02:30 -621.686611 0.166354 BFGS: 9707 14:02:30 -621.686611 0.166355 BFGS: 9708 14:02:30 -621.686611 0.166358 BFGS: 9709 14:02:30 -621.686611 0.166356 BFGS: 9710 14:02:30 -621.686611 0.166350 BFGS: 9711 14:02:30 -621.686611 0.166342 BFGS: 9712 14:02:30 -621.686611 0.166331 BFGS: 9713 14:02:30 -621.686611 0.166244 BFGS: 9714 14:02:30 -621.686611 0.166350 BFGS: 9715 14:02:30 -621.686611 0.166352 BFGS: 9716 14:02:30 -621.686611 0.166361 BFGS: 9717 14:02:30 -621.686611 0.166414 BFGS: 9718 14:02:30 -621.686611 0.166400 BFGS: 9719 14:02:30 -621.686611 0.166398 BFGS: 9720 14:02:30 -621.686611 0.166372 BFGS: 9721 14:02:30 -621.686611 0.166345 BFGS: 9722 14:02:30 -621.686612 0.166235 BFGS: 9723 14:02:30 -621.686612 0.166204 BFGS: 9724 14:02:30 -621.686613 0.166180 BFGS: 9725 14:02:30 -621.686615 0.166174 BFGS: 9726 14:02:31 -621.686616 0.166210 BFGS: 9727 14:02:31 -621.686618 0.166431 BFGS: 9728 14:02:31 -621.686620 0.166477 BFGS: 9729 14:02:31 -621.686622 0.166518 BFGS: 9730 14:02:31 -621.686622 0.166434 BFGS: 9731 14:02:31 -621.686623 0.166419 BFGS: 9732 14:02:31 -621.686625 0.166437 BFGS: 9733 14:02:31 -621.686626 0.166435 BFGS: 9734 14:02:31 -621.686627 0.166417 BFGS: 9735 14:02:31 -621.686629 0.166388 BFGS: 9736 14:02:31 -621.686630 0.166368 BFGS: 9737 14:02:31 -621.686632 0.166467 BFGS: 9738 14:02:31 -621.686633 0.166557 BFGS: 9739 14:02:31 -621.686634 0.166417 BFGS: 9740 14:02:31 -621.686635 0.166501 BFGS: 9741 14:02:31 -621.686636 0.166501 BFGS: 9742 14:02:31 -621.686638 0.166356 BFGS: 9743 14:02:31 -621.686638 0.166622 BFGS: 9744 14:02:31 -621.686640 0.166401 BFGS: 9745 14:02:31 -621.686640 0.166327 BFGS: 9746 14:02:31 -621.686641 0.166324 BFGS: 9747 14:02:31 -621.686642 0.166348 BFGS: 9748 14:02:31 -621.686644 0.166386 BFGS: 9749 14:02:31 -621.686644 0.166366 BFGS: 9750 14:02:31 -621.686645 0.166258 BFGS: 9751 14:02:31 -621.686647 0.166519 BFGS: 9752 14:02:31 -621.686647 0.166193 BFGS: 9753 14:02:31 -621.686648 0.166506 BFGS: 9754 14:02:31 -621.686649 0.166425 BFGS: 9755 14:02:31 -621.686650 0.166054 BFGS: 9756 14:02:31 -621.686651 0.166049 BFGS: 9757 14:02:31 -621.686653 0.165970 BFGS: 9758 14:02:31 -621.686654 0.165930 BFGS: 9759 14:02:32 -621.686655 0.166067 BFGS: 9760 14:02:32 -621.686656 0.166159 BFGS: 9761 14:02:32 -621.686657 0.166192 BFGS: 9762 14:02:32 -621.686658 0.166369 BFGS: 9763 14:02:32 -621.686659 0.166420 BFGS: 9764 14:02:32 -621.686659 0.166453 BFGS: 9765 14:02:32 -621.686660 0.166511 BFGS: 9766 14:02:32 -621.686662 0.166571 BFGS: 9767 14:02:32 -621.686663 0.166466 BFGS: 9768 14:02:32 -621.686664 0.166496 BFGS: 9769 14:02:32 -621.686666 0.166227 BFGS: 9770 14:02:32 -621.686667 0.166477 BFGS: 9771 14:02:32 -621.686669 0.166425 BFGS: 9772 14:02:32 -621.686671 0.166355 BFGS: 9773 14:02:32 -621.686673 0.166221 BFGS: 9774 14:02:32 -621.686676 0.165865 BFGS: 9775 14:02:32 -621.686678 0.165928 BFGS: 9776 14:02:32 -621.686680 0.166034 BFGS: 9777 14:02:32 -621.686681 0.166057 BFGS: 9778 14:02:32 -621.686683 0.166193 BFGS: 9779 14:02:32 -621.686685 0.166219 BFGS: 9780 14:02:32 -621.686686 0.166287 BFGS: 9781 14:02:32 -621.686687 0.166293 BFGS: 9782 14:02:32 -621.686689 0.166408 BFGS: 9783 14:02:32 -621.686691 0.166622 BFGS: 9784 14:02:32 -621.686692 0.166677 BFGS: 9785 14:02:32 -621.686694 0.166738 BFGS: 9786 14:02:32 -621.686695 0.166734 BFGS: 9787 14:02:32 -621.686697 0.166752 BFGS: 9788 14:02:32 -621.686699 0.166804 BFGS: 9789 14:02:33 -621.686700 0.166875 BFGS: 9790 14:02:33 -621.686702 0.166765 BFGS: 9791 14:02:33 -621.686704 0.166929 BFGS: 9792 14:02:33 -621.686707 0.166672 BFGS: 9793 14:02:33 -621.686709 0.166701 BFGS: 9794 14:02:33 -621.686711 0.166714 BFGS: 9795 14:02:33 -621.686713 0.166811 BFGS: 9796 14:02:33 -621.686715 0.166816 BFGS: 9797 14:02:33 -621.686718 0.166837 BFGS: 9798 14:02:33 -621.686721 0.166819 BFGS: 9799 14:02:33 -621.686724 0.166759 BFGS: 9800 14:02:33 -621.686726 0.166736 BFGS: 9801 14:02:33 -621.686728 0.166691 BFGS: 9802 14:02:33 -621.686729 0.166649 BFGS: 9803 14:02:33 -621.686731 0.166627 BFGS: 9804 14:02:33 -621.686733 0.166598 BFGS: 9805 14:02:33 -621.686734 0.166573 BFGS: 9806 14:02:33 -621.686736 0.166550 BFGS: 9807 14:02:33 -621.686737 0.166539 BFGS: 9808 14:02:33 -621.686739 0.166533 BFGS: 9809 14:02:33 -621.686740 0.166542 BFGS: 9810 14:02:33 -621.686741 0.166527 BFGS: 9811 14:02:33 -621.686743 0.166530 BFGS: 9812 14:02:33 -621.686744 0.166539 BFGS: 9813 14:02:33 -621.686745 0.166362 BFGS: 9814 14:02:33 -621.686746 0.166462 BFGS: 9815 14:02:33 -621.686748 0.166525 BFGS: 9816 14:02:33 -621.686749 0.166570 BFGS: 9817 14:02:33 -621.686751 0.166610 BFGS: 9818 14:02:34 -621.686752 0.166642 BFGS: 9819 14:02:34 -621.686754 0.166667 BFGS: 9820 14:02:34 -621.686755 0.166687 BFGS: 9821 14:02:34 -621.686757 0.166702 BFGS: 9822 14:02:34 -621.686758 0.166711 BFGS: 9823 14:02:34 -621.686760 0.166721 BFGS: 9824 14:02:34 -621.686762 0.166720 BFGS: 9825 14:02:34 -621.686763 0.166718 BFGS: 9826 14:02:34 -621.686765 0.166714 BFGS: 9827 14:02:34 -621.686767 0.166710 BFGS: 9828 14:02:34 -621.686769 0.166706 BFGS: 9829 14:02:34 -621.686770 0.166703 BFGS: 9830 14:02:34 -621.686772 0.166696 BFGS: 9831 14:02:34 -621.686774 0.166686 BFGS: 9832 14:02:34 -621.686776 0.166681 BFGS: 9833 14:02:34 -621.686778 0.166669 BFGS: 9834 14:02:34 -621.686780 0.166661 BFGS: 9835 14:02:34 -621.686781 0.166652 BFGS: 9836 14:02:34 -621.686783 0.166649 BFGS: 9837 14:02:34 -621.686785 0.166634 BFGS: 9838 14:02:34 -621.686786 0.166601 BFGS: 9839 14:02:34 -621.686786 0.166558 BFGS: 9840 14:02:34 -621.686788 0.166540 BFGS: 9841 14:02:34 -621.686789 0.166525 BFGS: 9842 14:02:34 -621.686791 0.166506 BFGS: 9843 14:02:34 -621.686791 0.166495 BFGS: 9844 14:02:34 -621.686792 0.166644 BFGS: 9845 14:02:34 -621.686794 0.166618 BFGS: 9846 14:02:34 -621.686795 0.166596 BFGS: 9847 14:02:34 -621.686797 0.166541 BFGS: 9848 14:02:34 -621.686797 0.166533 BFGS: 9849 14:02:35 -621.686799 0.166509 BFGS: 9850 14:02:35 -621.686799 0.166478 BFGS: 9851 14:02:35 -621.686801 0.166429 BFGS: 9852 14:02:35 -621.686802 0.166406 BFGS: 9853 14:02:35 -621.686803 0.166455 BFGS: 9854 14:02:35 -621.686804 0.166441 BFGS: 9855 14:02:35 -621.686805 0.166447 BFGS: 9856 14:02:35 -621.686806 0.166370 BFGS: 9857 14:02:35 -621.686807 0.166396 BFGS: 9858 14:02:35 -621.686807 0.166417 BFGS: 9859 14:02:35 -621.686808 0.166542 BFGS: 9860 14:02:35 -621.686809 0.166628 BFGS: 9861 14:02:35 -621.686809 0.166710 BFGS: 9862 14:02:35 -621.686809 0.166582 BFGS: 9863 14:02:35 -621.686810 0.166837 BFGS: 9864 14:02:35 -621.686810 0.166843 BFGS: 9865 14:02:35 -621.686811 0.167118 BFGS: 9866 14:02:35 -621.686812 0.167225 BFGS: 9867 14:02:35 -621.686814 0.167712 BFGS: 9868 14:02:35 -621.686816 0.168041 BFGS: 9869 14:02:35 -621.686817 0.168269 BFGS: 9870 14:02:35 -621.686819 0.168432 BFGS: 9871 14:02:35 -621.686822 0.168381 BFGS: 9872 14:02:35 -621.686823 0.168433 BFGS: 9873 14:02:35 -621.686827 0.167968 BFGS: 9874 14:02:35 -621.686830 0.166689 BFGS: 9875 14:02:35 -621.686831 0.166672 BFGS: 9876 14:02:35 -621.686833 0.166675 BFGS: 9877 14:02:35 -621.686834 0.166692 BFGS: 9878 14:02:35 -621.686836 0.166699 BFGS: 9879 14:02:35 -621.686838 0.166700 BFGS: 9880 14:02:35 -621.686840 0.166701 BFGS: 9881 14:02:35 -621.686842 0.166696 BFGS: 9882 14:02:35 -621.686844 0.166697 BFGS: 9883 14:02:35 -621.686846 0.166698 BFGS: 9884 14:02:35 -621.686847 0.166691 BFGS: 9885 14:02:35 -621.686848 0.166654 BFGS: 9886 14:02:35 -621.686849 0.166615 BFGS: 9887 14:02:35 -621.686851 0.166575 BFGS: 9888 14:02:35 -621.686852 0.166556 BFGS: 9889 14:02:35 -621.686854 0.166529 BFGS: 9890 14:02:35 -621.686855 0.166402 BFGS: 9891 14:02:36 -621.686856 0.166387 BFGS: 9892 14:02:36 -621.686858 0.166282 BFGS: 9893 14:02:36 -621.686859 0.166264 BFGS: 9894 14:02:36 -621.686860 0.166613 BFGS: 9895 14:02:36 -621.686861 0.166586 BFGS: 9896 14:02:36 -621.686863 0.166567 BFGS: 9897 14:02:36 -621.686864 0.166432 BFGS: 9898 14:02:36 -621.686866 0.166430 BFGS: 9899 14:02:36 -621.686866 0.166376 BFGS: 9900 14:02:36 -621.686868 0.166343 BFGS: 9901 14:02:36 -621.686870 0.166357 BFGS: 9902 14:02:36 -621.686871 0.166398 BFGS: 9903 14:02:36 -621.686873 0.166844 BFGS: 9904 14:02:36 -621.686874 0.166699 BFGS: 9905 14:02:36 -621.686876 0.166588 BFGS: 9906 14:02:36 -621.686877 0.166509 BFGS: 9907 14:02:36 -621.686878 0.166463 BFGS: 9908 14:02:36 -621.686880 0.166433 BFGS: 9909 14:02:36 -621.686881 0.166397 BFGS: 9910 14:02:36 -621.686882 0.166429 BFGS: 9911 14:02:36 -621.686882 0.166417 BFGS: 9912 14:02:36 -621.686883 0.166491 BFGS: 9913 14:02:36 -621.686884 0.166606 BFGS: 9914 14:02:36 -621.686884 0.166643 BFGS: 9915 14:02:36 -621.686885 0.166694 BFGS: 9916 14:02:36 -621.686885 0.166741 BFGS: 9917 14:02:36 -621.686886 0.166754 BFGS: 9918 14:02:36 -621.686886 0.166749 BFGS: 9919 14:02:36 -621.686887 0.166695 BFGS: 9920 14:02:36 -621.686887 0.166629 BFGS: 9921 14:02:36 -621.686887 0.166593 BFGS: 9922 14:02:36 -621.686887 0.166544 BFGS: 9923 14:02:36 -621.686888 0.166561 BFGS: 9924 14:02:36 -621.686888 0.166660 BFGS: 9925 14:02:36 -621.686888 0.166890 BFGS: 9926 14:02:36 -621.686889 0.167141 BFGS: 9927 14:02:36 -621.686890 0.167343 BFGS: 9928 14:02:36 -621.686891 0.167528 BFGS: 9929 14:02:36 -621.686893 0.167756 BFGS: 9930 14:02:36 -621.686895 0.167863 BFGS: 9931 14:02:37 -621.686898 0.167879 BFGS: 9932 14:02:37 -621.686900 0.167885 BFGS: 9933 14:02:37 -621.686903 0.167934 BFGS: 9934 14:02:37 -621.686906 0.167850 BFGS: 9935 14:02:37 -621.686908 0.167614 BFGS: 9936 14:02:37 -621.686910 0.167557 BFGS: 9937 14:02:37 -621.686913 0.166863 BFGS: 9938 14:02:37 -621.686914 0.166589 BFGS: 9939 14:02:37 -621.686915 0.166535 BFGS: 9940 14:02:37 -621.686915 0.166557 BFGS: 9941 14:02:37 -621.686916 0.166784 BFGS: 9942 14:02:37 -621.686916 0.166625 BFGS: 9943 14:02:37 -621.686916 0.166562 BFGS: 9944 14:02:37 -621.686916 0.166551 BFGS: 9945 14:02:37 -621.686916 0.166558 BFGS: 9946 14:02:37 -621.686917 0.166647 BFGS: 9947 14:02:37 -621.686917 0.166808 BFGS: 9948 14:02:37 -621.686918 0.166908 BFGS: 9949 14:02:37 -621.686919 0.166948 BFGS: 9950 14:02:37 -621.686920 0.167001 BFGS: 9951 14:02:37 -621.686922 0.167055 BFGS: 9952 14:02:37 -621.686924 0.167192 BFGS: 9953 14:02:37 -621.686926 0.167262 BFGS: 9954 14:02:37 -621.686928 0.167354 BFGS: 9955 14:02:37 -621.686929 0.167417 BFGS: 9956 14:02:37 -621.686931 0.167385 BFGS: 9957 14:02:37 -621.686933 0.167407 BFGS: 9958 14:02:37 -621.686935 0.167262 BFGS: 9959 14:02:37 -621.686937 0.167242 BFGS: 9960 14:02:37 -621.686938 0.167208 BFGS: 9961 14:02:37 -621.686940 0.167158 BFGS: 9962 14:02:37 -621.686943 0.166594 BFGS: 9963 14:02:37 -621.686945 0.166495 BFGS: 9964 14:02:37 -621.686946 0.166698 BFGS: 9965 14:02:37 -621.686948 0.166654 BFGS: 9966 14:02:37 -621.686949 0.166637 BFGS: 9967 14:02:37 -621.686950 0.166636 BFGS: 9968 14:02:37 -621.686951 0.166537 BFGS: 9969 14:02:37 -621.686952 0.166725 BFGS: 9970 14:02:37 -621.686952 0.166753 BFGS: 9971 14:02:37 -621.686952 0.166610 BFGS: 9972 14:02:37 -621.686953 0.166580 BFGS: 9973 14:02:37 -621.686953 0.166611 BFGS: 9974 14:02:37 -621.686954 0.166521 BFGS: 9975 14:02:37 -621.686955 0.166377 BFGS: 9976 14:02:38 -621.686956 0.166250 BFGS: 9977 14:02:38 -621.686958 0.166101 BFGS: 9978 14:02:38 -621.686958 0.166022 BFGS: 9979 14:02:38 -621.686959 0.165880 BFGS: 9980 14:02:38 -621.686961 0.165839 BFGS: 9981 14:02:38 -621.686962 0.165877 BFGS: 9982 14:02:38 -621.686964 0.165931 BFGS: 9983 14:02:38 -621.686964 0.166162 BFGS: 9984 14:02:38 -621.686964 0.166161 BFGS: 9985 14:02:38 -621.686965 0.166190 BFGS: 9986 14:02:38 -621.686966 0.166194 BFGS: 9987 14:02:38 -621.686968 0.166174 BFGS: 9988 14:02:38 -621.686968 0.166173 BFGS: 9989 14:02:38 -621.686969 0.166142 BFGS: 9990 14:02:38 -621.686970 0.166130 BFGS: 9991 14:02:38 -621.686971 0.166113 BFGS: 9992 14:02:38 -621.686972 0.166113 BFGS: 9993 14:02:38 -621.686972 0.165981 BFGS: 9994 14:02:38 -621.686974 0.165823 BFGS: 9995 14:02:38 -621.686975 0.165721 BFGS: 9996 14:02:38 -621.686976 0.165727 BFGS: 9997 14:02:38 -621.686976 0.165694 BFGS: 9998 14:02:38 -621.686977 0.165588 BFGS: 9999 14:02:38 -621.686978 0.165540 BFGS: 10000 14:02:38 -621.686979 0.165383 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.15476487669596858 eV/Angstrom Maximum stress component: 0.0018033267541554402 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', '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 = [[2.85743350e-01 9.90691101e-01 6.51172707e-01] [7.14256650e-01 9.90691101e-01 3.48827293e-01] [7.85743350e-01 4.90691101e-01 6.51172707e-01] [2.14256650e-01 4.90691101e-01 3.48827293e-01] [2.63817849e-01 8.67910045e-01 8.48784833e-01] [7.36182151e-01 8.67910045e-01 1.51215167e-01] [7.63817849e-01 3.67910045e-01 8.48784833e-01] [2.36182151e-01 3.67910045e-01 1.51215167e-01] [7.34854008e-01 7.05376216e-01 3.47544543e-01] [2.65145992e-01 7.05376216e-01 6.52455457e-01] [2.34854008e-01 2.05376216e-01 3.47544543e-01] [7.65145992e-01 2.05376216e-01 6.52455457e-01] [5.80904055e-01 5.20244001e-01 5.98119388e-01] [4.19095945e-01 5.20244001e-01 4.01880612e-01] [8.09040551e-02 2.02440007e-02 5.98119388e-01] [9.19095945e-01 2.02440007e-02 4.01880612e-01] [4.19079307e-01 5.16119541e-02 9.81261181e-02] [5.80920693e-01 5.16119541e-02 9.01873882e-01] [9.19079307e-01 5.51611954e-01 9.81261181e-02] [8.09206927e-02 5.51611954e-01 9.01873882e-01] [4.32890611e-01 9.42775709e-01 8.72939783e-01] [5.67109389e-01 9.42775709e-01 1.27060217e-01] [9.32890611e-01 4.42775709e-01 8.72939783e-01] [6.71093885e-02 4.42775709e-01 1.27060217e-01] [5.66762845e-01 6.29156989e-01 3.72911790e-01] [4.33237155e-01 6.29156989e-01 6.27088210e-01] [6.67628450e-02 1.29156989e-01 3.72911790e-01] [9.33237155e-01 1.29156989e-01 6.27088210e-01] [1.56860438e-01 8.52805826e-01 6.21445080e-01] [8.43139562e-01 8.52805826e-01 3.78554920e-01] [6.56860438e-01 3.52805826e-01 6.21445080e-01] [3.43139562e-01 3.52805826e-01 3.78554920e-01] [8.43116026e-01 7.19226029e-01 1.21671772e-01] [1.56883974e-01 7.19226029e-01 8.78328228e-01] [3.43116026e-01 2.19226029e-01 1.21671772e-01] [6.56883974e-01 2.19226029e-01 8.78328228e-01] [2.94596574e-01 7.14965475e-02 9.00945367e-01] [7.05403426e-01 7.14965475e-02 9.90546328e-02] [7.94596574e-01 5.71496548e-01 9.00945367e-01] [2.05403426e-01 5.71496548e-01 9.90546328e-02] [7.05665038e-01 5.01306049e-01 4.01346938e-01] [2.94334962e-01 5.01306049e-01 5.98653062e-01] [2.05665038e-01 1.30604946e-03 4.01346938e-01] [7.94334962e-01 1.30604946e-03 5.98653062e-01] [7.14302488e-01 5.81209659e-01 1.51279894e-01] [2.85697512e-01 5.81209659e-01 8.48720106e-01] [2.14302488e-01 8.12096595e-02 1.51279894e-01] [7.85697512e-01 8.12096595e-02 8.48720106e-01] [0.00000000e+00 4.93011565e-01 9.09312199e-17] [5.00000000e-01 9.93011565e-01 5.75151662e-16] [4.37876691e-16 7.87466033e-02 5.00000000e-01] [5.00000000e-01 5.78746603e-01 5.00000000e-01] [7.93583468e-01 7.86301977e-01 2.49720537e-01] [2.06416532e-01 7.86301977e-01 7.50279463e-01] [2.93583468e-01 2.86301977e-01 2.49720537e-01] [7.06416532e-01 2.86301977e-01 7.50279463e-01] [3.16475779e-01 1.08707076e-01 6.59085571e-02] [6.83524221e-01 1.08707076e-01 9.34091443e-01] [8.16475779e-01 6.08707076e-01 6.59085571e-02] [1.83524221e-01 6.08707076e-01 9.34091443e-01] [6.83506209e-01 4.63406880e-01 5.65819102e-01] [3.16493791e-01 4.63406880e-01 4.34180898e-01] [1.83506209e-01 9.63406880e-01 5.65819102e-01] [8.16493791e-01 9.63406880e-01 4.34180898e-01] [6.77743053e-01 6.03007039e-01 3.16541728e-01] [3.22256947e-01 6.03007039e-01 6.83458272e-01] [1.77743053e-01 1.03007039e-01 3.16541728e-01] [8.22256947e-01 1.03007039e-01 6.83458272e-01] [3.21925557e-01 9.69478539e-01 8.16555365e-01] [6.78074443e-01 9.69478539e-01 1.83444635e-01] [8.21925557e-01 4.69478539e-01 8.16555365e-01] [1.78074443e-01 4.69478539e-01 1.83444635e-01]] cellpar = Cell([[12.33000472290549, 7.985561371780998e-17, 5.612765529279045], [-7.932359235941305e-17, 13.646556055273983, -7.289863372714093e-18], [-3.783678419338679, -2.877738719291278e-17, 8.315254616128719]]) forces = [[-8.14715884e-02 -8.32776208e-02 -2.11046883e-02] [ 8.14715884e-02 -8.32776208e-02 2.11046883e-02] [-8.14715884e-02 -8.32776208e-02 -2.11046883e-02] [ 8.14715884e-02 -8.32776208e-02 2.11046883e-02] [ 5.06700042e-02 1.13645209e-01 -4.65911253e-02] [-5.06700042e-02 1.13645209e-01 4.65911253e-02] [ 5.06700042e-02 1.13645209e-01 -4.65911253e-02] [-5.06700042e-02 1.13645209e-01 4.65911253e-02] [-3.33413125e-03 -1.54764877e-01 -3.58145665e-02] [ 3.33413125e-03 -1.54764877e-01 3.58145665e-02] [-3.33413125e-03 -1.54764877e-01 -3.58145665e-02] [ 3.33413125e-03 -1.54764877e-01 3.58145665e-02] [ 1.40186853e-01 -1.05190612e-02 4.01060546e-02] [-1.40186853e-01 -1.05190612e-02 -4.01060546e-02] [ 1.40186853e-01 -1.05190612e-02 4.01060546e-02] [-1.40186853e-01 -1.05190612e-02 -4.01060546e-02] [-1.38067431e-01 1.77300249e-02 -9.41302927e-02] [ 1.38067431e-01 1.77300249e-02 9.41302927e-02] [-1.38067431e-01 1.77300249e-02 -9.41302927e-02] [ 1.38067431e-01 1.77300249e-02 9.41302927e-02] [-1.02140436e-01 1.35339428e-02 -6.62620391e-02] [ 1.02140436e-01 1.35339428e-02 6.62620391e-02] [-1.02140436e-01 1.35339428e-02 -6.62620391e-02] [ 1.02140436e-01 1.35339428e-02 6.62620391e-02] [ 1.19451574e-01 -9.39749370e-03 2.49809346e-02] [-1.19451574e-01 -9.39749370e-03 -2.49809346e-02] [ 1.19451574e-01 -9.39749370e-03 2.49809346e-02] [-1.19451574e-01 -9.39749370e-03 -2.49809346e-02] [ 1.86327805e-02 1.15727463e-01 2.80602028e-02] [-1.86327805e-02 1.15727463e-01 -2.80602028e-02] [ 1.86327805e-02 1.15727463e-01 2.80602028e-02] [-1.86327805e-02 1.15727463e-01 -2.80602028e-02] [-2.54566642e-03 -1.23852572e-01 -1.54597131e-03] [ 2.54566642e-03 -1.23852572e-01 1.54597131e-03] [-2.54566642e-03 -1.23852572e-01 -1.54597131e-03] [ 2.54566642e-03 -1.23852572e-01 1.54597131e-03] [ 7.39812865e-02 -8.19988205e-02 5.95244596e-02] [-7.39812865e-02 -8.19988205e-02 -5.95244596e-02] [ 7.39812865e-02 -8.19988205e-02 5.95244596e-02] [-7.39812865e-02 -8.19988205e-02 -5.95244596e-02] [-8.08440811e-02 7.41586449e-02 -6.67591053e-02] [ 8.08440811e-02 7.41586449e-02 6.67591053e-02] [-8.08440811e-02 7.41586449e-02 -6.67591053e-02] [ 8.08440811e-02 7.41586449e-02 6.67591053e-02] [ 6.98543751e-02 1.06076771e-01 4.05828192e-02] [-6.98543751e-02 1.06076771e-01 -4.05828192e-02] [ 6.98543751e-02 1.06076771e-01 4.05828192e-02] [-6.98543751e-02 1.06076771e-01 -4.05828192e-02] [-5.95513166e-20 1.02450022e-02 -5.47278494e-21] [-5.95513166e-20 1.02450022e-02 -5.47278494e-21] [-3.01663418e-20 5.18971295e-03 -2.77229641e-21] [-3.01663418e-20 5.18971295e-03 -2.77229641e-21] [-1.15154609e-02 1.56782029e-02 -1.51829282e-02] [ 1.15154609e-02 1.56782029e-02 1.51829282e-02] [-1.15154609e-02 1.56782029e-02 -1.51829282e-02] [ 1.15154609e-02 1.56782029e-02 1.51829282e-02] [ 2.08235370e-02 2.96808775e-02 1.73087569e-02] [-2.08235370e-02 2.96808775e-02 -1.73087569e-02] [ 2.08235370e-02 2.96808775e-02 1.73087569e-02] [-2.08235370e-02 2.96808775e-02 -1.73087569e-02] [ 1.05627682e-02 -4.98695288e-02 2.64322701e-02] [-1.05627682e-02 -4.98695288e-02 -2.64322701e-02] [ 1.05627682e-02 -4.98695288e-02 2.64322701e-02] [-1.05627682e-02 -4.98695288e-02 -2.64322701e-02] [ 3.82915135e-02 4.43400849e-02 -1.47776248e-02] [-3.82915135e-02 4.43400849e-02 1.47776248e-02] [ 3.82915135e-02 4.43400849e-02 -1.47776248e-02] [-3.82915135e-02 4.43400849e-02 1.47776248e-02] [ 1.07788833e-03 -2.46086051e-02 5.29663026e-02] [-1.07788833e-03 -2.46086051e-02 -5.29663026e-02] [ 1.07788833e-03 -2.46086051e-02 5.29663026e-02] [-1.07788833e-03 -2.46086051e-02 -5.29663026e-02]] stress = [-2.01420568e-04 1.80332675e-03 1.12941232e-03 -4.03803099e-19 -5.57509836e-04 -1.34661371e-20] energy per atom = -8.634541380582965 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0