element(s): ['Cl', 'Si'] AFLOW prototype label: A2B_oP12_19_2a_a Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.0326', '1.7972276', '3.4291276', '0.47391782', '0.54860003', '0.41177558', '0.47394525', '0.44007665', '0.64916872', '0.47632387', '0.33544815', '0.51049789'] model name: Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cl', 'Cl', 'Si'] representative atom coordinates = [[0.47391782 0.54860003 0.41177558] [0.47394525 0.44007665 0.64916872] [0.47632387 0.33544815 0.51049789]] spacegroup = 19 cell = [[4.0326, 0, 0], [0, 7.2475, 0], [0, 0, 13.8283]] ========================================= Step Time Energy fmax BFGS: 0 16:09:34 -0.247493 4.3176 BFGS: 1 16:09:34 -2.554462 3.5016 BFGS: 2 16:09:34 -4.259179 2.8557 BFGS: 3 16:09:34 -5.559055 2.3357 BFGS: 4 16:09:34 -6.582536 1.9100 BFGS: 5 16:09:34 -7.411019 1.5620 BFGS: 6 16:09:34 -8.096014 1.3377 BFGS: 7 16:09:34 -8.670224 1.1494 BFGS: 8 16:09:34 -9.152263 0.9904 BFGS: 9 16:09:34 -9.548477 0.9037 BFGS: 10 16:09:34 -9.871225 0.8551 BFGS: 11 16:09:34 -10.129210 0.7570 BFGS: 12 16:09:34 -10.329386 0.6209 BFGS: 13 16:09:34 -10.478287 0.4972 BFGS: 14 16:09:34 -10.582981 0.4278 BFGS: 15 16:09:34 -10.651784 0.3703 BFGS: 16 16:09:34 -10.694976 0.3858 BFGS: 17 16:09:34 -10.725347 0.4076 BFGS: 18 16:09:34 -10.755533 0.4191 BFGS: 19 16:09:34 -10.791389 0.4206 BFGS: 20 16:09:34 -10.833471 0.4139 BFGS: 21 16:09:34 -10.880597 0.4004 BFGS: 22 16:09:34 -10.931059 0.3812 BFGS: 23 16:09:34 -10.982907 0.3569 BFGS: 24 16:09:34 -11.034069 0.3277 BFGS: 25 16:09:34 -11.082443 0.2937 BFGS: 26 16:09:34 -11.125935 0.2546 BFGS: 27 16:09:34 -11.161600 0.2115 BFGS: 28 16:09:34 -11.186190 0.1705 BFGS: 29 16:09:34 -11.201435 0.2147 BFGS: 30 16:09:34 -11.211095 0.2204 BFGS: 31 16:09:34 -11.228393 0.1629 BFGS: 32 16:09:34 -11.237161 0.1799 BFGS: 33 16:09:34 -11.243767 0.1826 BFGS: 34 16:09:35 -11.254219 0.2237 BFGS: 35 16:09:35 -11.264826 0.3426 BFGS: 36 16:09:35 -11.276174 0.4048 BFGS: 37 16:09:35 -11.288711 0.4318 BFGS: 38 16:09:35 -11.302534 0.4367 BFGS: 39 16:09:35 -11.317442 0.4262 BFGS: 40 16:09:35 -11.333135 0.4051 BFGS: 41 16:09:35 -11.349268 0.3773 BFGS: 42 16:09:35 -11.365488 0.3466 BFGS: 43 16:09:35 -11.381493 0.3169 BFGS: 44 16:09:35 -11.397087 0.2913 BFGS: 45 16:09:35 -11.412210 0.2721 BFGS: 46 16:09:35 -11.426928 0.2602 BFGS: 47 16:09:35 -11.441390 0.2548 BFGS: 48 16:09:35 -11.455783 0.2546 BFGS: 49 16:09:35 -11.470288 0.2581 BFGS: 50 16:09:35 -11.485063 0.2638 BFGS: 51 16:09:35 -11.500222 0.2711 BFGS: 52 16:09:35 -11.515825 0.2794 BFGS: 53 16:09:35 -11.531888 0.2885 BFGS: 54 16:09:35 -11.548398 0.2983 BFGS: 55 16:09:35 -11.565335 0.3089 BFGS: 56 16:09:35 -11.582673 0.3201 BFGS: 57 16:09:35 -11.600387 0.3317 BFGS: 58 16:09:35 -11.618456 0.3436 BFGS: 59 16:09:35 -11.636869 0.3551 BFGS: 60 16:09:35 -11.655627 0.3655 BFGS: 61 16:09:35 -11.674757 0.3738 BFGS: 62 16:09:35 -11.694311 0.3784 BFGS: 63 16:09:35 -11.714372 0.3772 BFGS: 64 16:09:35 -11.735060 0.3675 BFGS: 65 16:09:35 -11.756516 0.3453 BFGS: 66 16:09:35 -11.778862 0.3057 BFGS: 67 16:09:35 -11.802079 0.2421 BFGS: 68 16:09:35 -11.825700 0.1486 BFGS: 69 16:09:35 -11.848221 0.1323 BFGS: 70 16:09:35 -11.864173 0.1655 BFGS: 71 16:09:35 -11.874528 0.1794 BFGS: 72 16:09:35 -11.886108 0.1945 BFGS: 73 16:09:35 -11.896802 0.1815 BFGS: 74 16:09:35 -11.907753 0.1759 BFGS: 75 16:09:35 -11.918968 0.1612 BFGS: 76 16:09:35 -11.929780 0.1381 BFGS: 77 16:09:35 -11.939806 0.1608 BFGS: 78 16:09:35 -11.949625 0.2429 BFGS: 79 16:09:35 -11.960416 0.2973 BFGS: 80 16:09:35 -11.972217 0.3106 BFGS: 81 16:09:35 -11.983822 0.2888 BFGS: 82 16:09:35 -11.994698 0.2480 BFGS: 83 16:09:35 -12.004297 0.2001 BFGS: 84 16:09:35 -12.012282 0.1508 BFGS: 85 16:09:35 -12.018372 0.1054 BFGS: 86 16:09:35 -12.021788 0.0825 BFGS: 87 16:09:35 -12.023550 0.0805 BFGS: 88 16:09:35 -12.025697 0.0867 BFGS: 89 16:09:35 -12.027177 0.0973 BFGS: 90 16:09:35 -12.030093 0.1159 BFGS: 91 16:09:35 -12.035212 0.1348 BFGS: 92 16:09:35 -12.042475 0.1436 BFGS: 93 16:09:35 -12.051616 0.1379 BFGS: 94 16:09:35 -12.058304 0.1025 BFGS: 95 16:09:35 -12.062187 0.0529 BFGS: 96 16:09:35 -12.062768 0.0336 BFGS: 97 16:09:35 -12.062972 0.0342 BFGS: 98 16:09:35 -12.063232 0.0279 BFGS: 99 16:09:35 -12.063759 0.0321 BFGS: 100 16:09:35 -12.065878 0.0482 BFGS: 101 16:09:35 -12.069714 0.0771 BFGS: 102 16:09:35 -12.074195 0.1066 BFGS: 103 16:09:35 -12.079358 0.1359 BFGS: 104 16:09:35 -12.085187 0.1642 BFGS: 105 16:09:35 -12.091703 0.1912 BFGS: 106 16:09:35 -12.098965 0.2160 BFGS: 107 16:09:35 -12.107055 0.2384 BFGS: 108 16:09:35 -12.115858 0.2571 BFGS: 109 16:09:35 -12.124403 0.2698 BFGS: 110 16:09:35 -12.132845 0.2783 BFGS: 111 16:09:35 -12.141271 0.2832 BFGS: 112 16:09:35 -12.149710 0.2861 BFGS: 113 16:09:35 -12.158185 0.2860 BFGS: 114 16:09:35 -12.166666 0.2865 BFGS: 115 16:09:35 -12.175201 0.2805 BFGS: 116 16:09:35 -12.183584 0.2882 BFGS: 117 16:09:35 -12.192115 0.2664 BFGS: 118 16:09:35 -12.200240 0.2800 BFGS: 119 16:09:35 -12.208482 0.2735 BFGS: 120 16:09:35 -12.216673 0.2714 BFGS: 121 16:09:35 -12.224874 0.2662 BFGS: 122 16:09:35 -12.233050 0.2611 BFGS: 123 16:09:35 -12.241216 0.2547 BFGS: 124 16:09:35 -12.249355 0.2480 BFGS: 125 16:09:35 -12.257482 0.2401 BFGS: 126 16:09:35 -12.265580 0.2321 BFGS: 127 16:09:35 -12.273666 0.2377 BFGS: 128 16:09:35 -12.281710 0.2474 BFGS: 129 16:09:35 -12.289755 0.2563 BFGS: 130 16:09:35 -12.297689 0.2666 BFGS: 131 16:09:35 -12.305724 0.2729 BFGS: 132 16:09:35 -12.313192 0.2886 BFGS: 133 16:09:35 -12.321184 0.2881 BFGS: 134 16:09:35 -12.328062 0.3058 BFGS: 135 16:09:35 -12.335439 0.3125 BFGS: 136 16:09:35 -12.342670 0.3220 BFGS: 137 16:09:35 -12.350341 0.3278 BFGS: 138 16:09:35 -12.358225 0.3337 BFGS: 139 16:09:35 -12.366512 0.3334 BFGS: 140 16:09:35 -12.374588 0.3354 BFGS: 141 16:09:35 -12.384791 0.3242 BFGS: 142 16:09:35 -12.393176 0.3303 BFGS: 143 16:09:35 -12.405154 0.3147 BFGS: 144 16:09:35 -12.416088 0.3104 BFGS: 145 16:09:35 -12.429414 0.2946 BFGS: 146 16:09:35 -12.442786 0.2811 BFGS: 147 16:09:35 -12.457814 0.2586 BFGS: 148 16:09:35 -12.471682 0.2391 BFGS: 149 16:09:35 -12.484199 0.2128 BFGS: 150 16:09:35 -12.495126 0.1947 BFGS: 151 16:09:35 -12.505134 0.1639 BFGS: 152 16:09:35 -12.513600 0.1464 BFGS: 153 16:09:35 -12.521260 0.1313 BFGS: 154 16:09:35 -12.527681 0.1330 BFGS: 155 16:09:35 -12.533294 0.1377 BFGS: 156 16:09:35 -12.538014 0.1396 BFGS: 157 16:09:35 -12.542182 0.1442 BFGS: 158 16:09:35 -12.545996 0.1454 BFGS: 159 16:09:35 -12.549978 0.1494 BFGS: 160 16:09:35 -12.554746 0.1499 BFGS: 161 16:09:35 -12.560990 0.1505 BFGS: 162 16:09:35 -12.569521 0.1495 BFGS: 163 16:09:35 -12.579060 0.1558 BFGS: 164 16:09:35 -12.588325 0.1716 BFGS: 165 16:09:35 -12.597406 0.1809 BFGS: 166 16:09:35 -12.605921 0.1852 BFGS: 167 16:09:35 -12.613692 0.1835 BFGS: 168 16:09:35 -12.620398 0.1750 BFGS: 169 16:09:36 -12.625894 0.1571 BFGS: 170 16:09:36 -12.630270 0.1592 BFGS: 171 16:09:36 -12.633777 0.1568 BFGS: 172 16:09:36 -12.636547 0.1346 BFGS: 173 16:09:36 -12.638691 0.1147 BFGS: 174 16:09:36 -12.640754 0.1064 BFGS: 175 16:09:36 -12.645209 0.1076 BFGS: 176 16:09:36 -12.651082 0.1206 BFGS: 177 16:09:36 -12.656356 0.1330 BFGS: 178 16:09:36 -12.661560 0.1431 BFGS: 179 16:09:36 -12.666779 0.1515 BFGS: 180 16:09:36 -12.672031 0.1585 BFGS: 181 16:09:36 -12.677317 0.1646 BFGS: 182 16:09:36 -12.682637 0.1701 BFGS: 183 16:09:36 -12.687986 0.1749 BFGS: 184 16:09:36 -12.693362 0.1793 BFGS: 185 16:09:36 -12.698762 0.1834 BFGS: 186 16:09:36 -12.704183 0.1871 BFGS: 187 16:09:36 -12.709622 0.1905 BFGS: 188 16:09:36 -12.715077 0.1937 BFGS: 189 16:09:36 -12.720546 0.1967 BFGS: 190 16:09:36 -12.726027 0.1995 BFGS: 191 16:09:36 -12.731517 0.2021 BFGS: 192 16:09:36 -12.737016 0.2046 BFGS: 193 16:09:36 -12.742522 0.2070 BFGS: 194 16:09:36 -12.748033 0.2093 BFGS: 195 16:09:36 -12.753548 0.2114 BFGS: 196 16:09:36 -12.759067 0.2136 BFGS: 197 16:09:36 -12.764589 0.2156 BFGS: 198 16:09:36 -12.770112 0.2176 BFGS: 199 16:09:36 -12.775638 0.2196 BFGS: 200 16:09:36 -12.781165 0.2215 BFGS: 201 16:09:36 -12.786694 0.2235 BFGS: 202 16:09:36 -12.792225 0.2255 BFGS: 203 16:09:36 -12.797757 0.2276 BFGS: 204 16:09:36 -12.803286 0.2311 BFGS: 205 16:09:36 -12.808803 0.2356 BFGS: 206 16:09:36 -12.814381 0.2377 BFGS: 207 16:09:36 -12.819618 0.2529 BFGS: 208 16:09:36 -12.825091 0.2602 BFGS: 209 16:09:36 -12.831528 0.2136 BFGS: 210 16:09:36 -12.837232 0.2112 BFGS: 211 16:09:36 -12.842828 0.2166 BFGS: 212 16:09:36 -12.848550 0.2161 BFGS: 213 16:09:36 -12.854179 0.2232 BFGS: 214 16:09:36 -12.860285 0.2022 BFGS: 215 16:09:36 -12.866187 0.1963 BFGS: 216 16:09:36 -12.872003 0.2013 BFGS: 217 16:09:36 -12.877938 0.2030 BFGS: 218 16:09:36 -12.883919 0.2061 BFGS: 219 16:09:36 -12.889993 0.2085 BFGS: 220 16:09:36 -12.896144 0.2113 BFGS: 221 16:09:36 -12.902391 0.2139 BFGS: 222 16:09:36 -12.908728 0.2166 BFGS: 223 16:09:36 -12.915163 0.2191 BFGS: 224 16:09:36 -12.921694 0.2216 BFGS: 225 16:09:36 -12.928324 0.2240 BFGS: 226 16:09:36 -12.935048 0.2264 BFGS: 227 16:09:36 -12.941863 0.2287 BFGS: 228 16:09:36 -12.948763 0.2309 BFGS: 229 16:09:36 -12.955743 0.2330 BFGS: 230 16:09:36 -12.962791 0.2350 BFGS: 231 16:09:36 -12.969898 0.2368 BFGS: 232 16:09:36 -12.977052 0.2386 BFGS: 233 16:09:36 -12.984239 0.2401 BFGS: 234 16:09:36 -12.991444 0.2416 BFGS: 235 16:09:36 -12.998653 0.2428 BFGS: 236 16:09:36 -13.005847 0.2442 BFGS: 237 16:09:36 -13.013012 0.2450 BFGS: 238 16:09:36 -13.020128 0.2462 BFGS: 239 16:09:36 -13.027189 0.2464 BFGS: 240 16:09:36 -13.034173 0.2475 BFGS: 241 16:09:36 -13.041089 0.2465 BFGS: 242 16:09:36 -13.047906 0.2484 BFGS: 243 16:09:36 -13.054665 0.2448 BFGS: 244 16:09:36 -13.061296 0.2494 BFGS: 245 16:09:36 -13.067899 0.2422 BFGS: 246 16:09:36 -13.074357 0.2478 BFGS: 247 16:09:36 -13.080785 0.2421 BFGS: 248 16:09:36 -13.087095 0.2440 BFGS: 249 16:09:36 -13.093349 0.2407 BFGS: 250 16:09:36 -13.099514 0.2405 BFGS: 251 16:09:36 -13.105614 0.2380 BFGS: 252 16:09:36 -13.111639 0.2368 BFGS: 253 16:09:36 -13.117600 0.2345 BFGS: 254 16:09:36 -13.123495 0.2328 BFGS: 255 16:09:36 -13.129327 0.2305 BFGS: 256 16:09:36 -13.135098 0.2284 BFGS: 257 16:09:36 -13.140810 0.2260 BFGS: 258 16:09:36 -13.146465 0.2237 BFGS: 259 16:09:36 -13.152062 0.2212 BFGS: 260 16:09:36 -13.157605 0.2187 BFGS: 261 16:09:36 -13.163091 0.2161 BFGS: 262 16:09:36 -13.168525 0.2135 BFGS: 263 16:09:36 -13.173902 0.2108 BFGS: 264 16:09:36 -13.179229 0.2081 BFGS: 265 16:09:36 -13.184500 0.2053 BFGS: 266 16:09:36 -13.189721 0.2025 BFGS: 267 16:09:36 -13.194886 0.1996 BFGS: 268 16:09:36 -13.200002 0.1968 BFGS: 269 16:09:36 -13.205061 0.1938 BFGS: 270 16:09:36 -13.210073 0.1909 BFGS: 271 16:09:36 -13.215024 0.1878 BFGS: 272 16:09:36 -13.219932 0.1850 BFGS: 273 16:09:36 -13.224776 0.1818 BFGS: 274 16:09:36 -13.229580 0.1790 BFGS: 275 16:09:36 -13.234315 0.1756 BFGS: 276 16:09:36 -13.239016 0.1729 BFGS: 277 16:09:36 -13.243643 0.1694 BFGS: 278 16:09:36 -13.248238 0.1668 BFGS: 279 16:09:36 -13.252758 0.1631 BFGS: 280 16:09:36 -13.257245 0.1606 BFGS: 281 16:09:36 -13.261660 0.1568 BFGS: 282 16:09:36 -13.266037 0.1543 BFGS: 283 16:09:36 -13.270347 0.1505 BFGS: 284 16:09:36 -13.274614 0.1480 BFGS: 285 16:09:36 -13.278819 0.1442 BFGS: 286 16:09:36 -13.282976 0.1417 BFGS: 287 16:09:36 -13.287075 0.1379 BFGS: 288 16:09:36 -13.291123 0.1354 BFGS: 289 16:09:36 -13.295116 0.1315 BFGS: 290 16:09:36 -13.299055 0.1292 BFGS: 291 16:09:36 -13.302941 0.1251 BFGS: 292 16:09:36 -13.306771 0.1231 BFGS: 293 16:09:36 -13.310551 0.1186 BFGS: 294 16:09:36 -13.314273 0.1170 BFGS: 295 16:09:36 -13.317947 0.1121 BFGS: 296 16:09:36 -13.321561 0.1111 BFGS: 297 16:09:36 -13.325129 0.1056 BFGS: 298 16:09:36 -13.328635 0.1051 BFGS: 299 16:09:36 -13.332098 0.0993 BFGS: 300 16:09:36 -13.335499 0.0989 BFGS: 301 16:09:37 -13.338856 0.0933 BFGS: 302 16:09:37 -13.342152 0.0927 BFGS: 303 16:09:37 -13.345403 0.0875 BFGS: 304 16:09:37 -13.348596 0.0864 BFGS: 305 16:09:37 -13.351742 0.0818 BFGS: 306 16:09:37 -13.354832 0.0802 BFGS: 307 16:09:37 -13.357875 0.0761 BFGS: 308 16:09:37 -13.360863 0.0742 BFGS: 309 16:09:37 -13.363803 0.0705 BFGS: 310 16:09:37 -13.366690 0.0683 BFGS: 311 16:09:37 -13.369529 0.0650 BFGS: 312 16:09:37 -13.372316 0.0627 BFGS: 313 16:09:37 -13.375055 0.0595 BFGS: 314 16:09:37 -13.377744 0.0571 BFGS: 315 16:09:37 -13.380384 0.0542 BFGS: 316 16:09:37 -13.382976 0.0518 BFGS: 317 16:09:37 -13.385519 0.0490 BFGS: 318 16:09:37 -13.388014 0.0466 BFGS: 319 16:09:37 -13.390462 0.0440 BFGS: 320 16:09:37 -13.392863 0.0428 BFGS: 321 16:09:37 -13.395218 0.0423 BFGS: 322 16:09:37 -13.397526 0.0418 BFGS: 323 16:09:37 -13.399788 0.0414 BFGS: 324 16:09:37 -13.402004 0.0409 BFGS: 325 16:09:37 -13.404176 0.0404 BFGS: 326 16:09:37 -13.406304 0.0400 BFGS: 327 16:09:37 -13.408387 0.0395 BFGS: 328 16:09:37 -13.410427 0.0403 BFGS: 329 16:09:37 -13.412423 0.0412 BFGS: 330 16:09:37 -13.414378 0.0421 BFGS: 331 16:09:37 -13.416290 0.0430 BFGS: 332 16:09:37 -13.418160 0.0439 BFGS: 333 16:09:37 -13.419990 0.0448 BFGS: 334 16:09:37 -13.421779 0.0456 BFGS: 335 16:09:37 -13.423528 0.0465 BFGS: 336 16:09:37 -13.425238 0.0473 BFGS: 337 16:09:37 -13.426908 0.0481 BFGS: 338 16:09:37 -13.428541 0.0490 BFGS: 339 16:09:37 -13.430135 0.0497 BFGS: 340 16:09:37 -13.431692 0.0505 BFGS: 341 16:09:37 -13.433213 0.0513 BFGS: 342 16:09:37 -13.434698 0.0521 BFGS: 343 16:09:37 -13.436146 0.0528 BFGS: 344 16:09:37 -13.437561 0.0535 BFGS: 345 16:09:37 -13.438940 0.0542 BFGS: 346 16:09:37 -13.440287 0.0549 BFGS: 347 16:09:37 -13.441599 0.0556 BFGS: 348 16:09:37 -13.442880 0.0563 BFGS: 349 16:09:37 -13.444128 0.0569 BFGS: 350 16:09:37 -13.445346 0.0576 BFGS: 351 16:09:37 -13.446532 0.0581 BFGS: 352 16:09:37 -13.447689 0.0588 BFGS: 353 16:09:37 -13.448815 0.0593 BFGS: 354 16:09:37 -13.449914 0.0599 BFGS: 355 16:09:37 -13.450984 0.0604 BFGS: 356 16:09:37 -13.452027 0.0610 BFGS: 357 16:09:37 -13.453042 0.0615 BFGS: 358 16:09:37 -13.454032 0.0620 BFGS: 359 16:09:37 -13.454995 0.0624 BFGS: 360 16:09:37 -13.455934 0.0629 BFGS: 361 16:09:37 -13.456848 0.0633 BFGS: 362 16:09:37 -13.457739 0.0638 BFGS: 363 16:09:37 -13.458606 0.0642 BFGS: 364 16:09:37 -13.459452 0.0646 BFGS: 365 16:09:37 -13.460275 0.0649 BFGS: 366 16:09:37 -13.461077 0.0653 BFGS: 367 16:09:37 -13.461859 0.0656 BFGS: 368 16:09:37 -13.462621 0.0659 BFGS: 369 16:09:37 -13.463364 0.0662 BFGS: 370 16:09:37 -13.464088 0.0665 BFGS: 371 16:09:37 -13.464794 0.0667 BFGS: 372 16:09:37 -13.465483 0.0670 BFGS: 373 16:09:37 -13.466154 0.0672 BFGS: 374 16:09:37 -13.466810 0.0674 BFGS: 375 16:09:37 -13.467450 0.0675 BFGS: 376 16:09:37 -13.468075 0.0677 BFGS: 377 16:09:37 -13.468686 0.0678 BFGS: 378 16:09:37 -13.469283 0.0679 BFGS: 379 16:09:37 -13.469866 0.0680 BFGS: 380 16:09:37 -13.470437 0.0681 BFGS: 381 16:09:37 -13.470995 0.0681 BFGS: 382 16:09:37 -13.471542 0.0682 BFGS: 383 16:09:37 -13.472078 0.0682 BFGS: 384 16:09:37 -13.472603 0.0682 BFGS: 385 16:09:37 -13.473117 0.0682 BFGS: 386 16:09:37 -13.473622 0.0681 BFGS: 387 16:09:37 -13.474118 0.0681 BFGS: 388 16:09:37 -13.474604 0.0680 BFGS: 389 16:09:37 -13.475082 0.0679 BFGS: 390 16:09:37 -13.475553 0.0678 BFGS: 391 16:09:37 -13.476015 0.0677 BFGS: 392 16:09:37 -13.476470 0.0675 BFGS: 393 16:09:37 -13.476918 0.0673 BFGS: 394 16:09:37 -13.477360 0.0672 BFGS: 395 16:09:37 -13.477795 0.0670 BFGS: 396 16:09:37 -13.478225 0.0668 BFGS: 397 16:09:37 -13.478648 0.0665 BFGS: 398 16:09:37 -13.479067 0.0663 BFGS: 399 16:09:37 -13.479480 0.0660 BFGS: 400 16:09:37 -13.479889 0.0657 BFGS: 401 16:09:37 -13.480292 0.0654 BFGS: 402 16:09:37 -13.480692 0.0651 BFGS: 403 16:09:37 -13.481087 0.0648 BFGS: 404 16:09:37 -13.481478 0.0645 BFGS: 405 16:09:37 -13.481865 0.0641 BFGS: 406 16:09:37 -13.482248 0.0637 BFGS: 407 16:09:37 -13.482628 0.0634 BFGS: 408 16:09:37 -13.483004 0.0630 BFGS: 409 16:09:37 -13.483377 0.0626 BFGS: 410 16:09:37 -13.483747 0.0621 BFGS: 411 16:09:37 -13.484113 0.0617 BFGS: 412 16:09:37 -13.484477 0.0613 BFGS: 413 16:09:37 -13.484837 0.0608 BFGS: 414 16:09:37 -13.485194 0.0603 BFGS: 415 16:09:37 -13.485549 0.0599 BFGS: 416 16:09:37 -13.485900 0.0594 BFGS: 417 16:09:37 -13.486248 0.0589 BFGS: 418 16:09:37 -13.486594 0.0584 BFGS: 419 16:09:37 -13.486937 0.0579 BFGS: 420 16:09:37 -13.487276 0.0574 BFGS: 421 16:09:37 -13.487613 0.0568 BFGS: 422 16:09:37 -13.487947 0.0563 BFGS: 423 16:09:37 -13.488278 0.0558 BFGS: 424 16:09:37 -13.488606 0.0552 BFGS: 425 16:09:37 -13.488931 0.0547 BFGS: 426 16:09:37 -13.489253 0.0541 BFGS: 427 16:09:37 -13.489572 0.0535 BFGS: 428 16:09:37 -13.489888 0.0530 BFGS: 429 16:09:37 -13.490201 0.0524 BFGS: 430 16:09:37 -13.490511 0.0518 BFGS: 431 16:09:37 -13.490818 0.0513 BFGS: 432 16:09:37 -13.491122 0.0507 BFGS: 433 16:09:37 -13.491422 0.0501 BFGS: 434 16:09:37 -13.491720 0.0495 BFGS: 435 16:09:37 -13.492014 0.0489 BFGS: 436 16:09:37 -13.492305 0.0484 BFGS: 437 16:09:37 -13.492592 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0.0335 BFGS: 465 16:09:38 -13.499430 0.0331 BFGS: 466 16:09:38 -13.499640 0.0326 BFGS: 467 16:09:38 -13.499848 0.0322 BFGS: 468 16:09:38 -13.500055 0.0318 BFGS: 469 16:09:38 -13.500262 0.0314 BFGS: 470 16:09:38 -13.500467 0.0310 BFGS: 471 16:09:38 -13.500671 0.0306 BFGS: 472 16:09:38 -13.500874 0.0302 BFGS: 473 16:09:38 -13.501078 0.0298 BFGS: 474 16:09:38 -13.501280 0.0294 BFGS: 475 16:09:38 -13.501482 0.0290 BFGS: 476 16:09:38 -13.501683 0.0287 BFGS: 477 16:09:38 -13.501884 0.0283 BFGS: 478 16:09:38 -13.502084 0.0279 BFGS: 479 16:09:38 -13.502284 0.0276 BFGS: 480 16:09:38 -13.502483 0.0272 BFGS: 481 16:09:38 -13.502682 0.0270 BFGS: 482 16:09:38 -13.502881 0.0268 BFGS: 483 16:09:38 -13.503080 0.0268 BFGS: 484 16:09:38 -13.503279 0.0266 BFGS: 485 16:09:38 -13.503478 0.0266 BFGS: 486 16:09:38 -13.503676 0.0263 BFGS: 487 16:09:38 -13.503875 0.0266 BFGS: 488 16:09:38 -13.504068 0.0248 BFGS: 489 16:09:38 -13.504267 0.0245 BFGS: 490 16:09:38 -13.504468 0.0242 BFGS: 491 16:09:38 -13.504668 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0.0282 BFGS: 573 16:09:39 -13.522061 0.0288 BFGS: 574 16:09:39 -13.522260 0.0285 BFGS: 575 16:09:39 -13.522458 0.0290 BFGS: 576 16:09:39 -13.522655 0.0287 BFGS: 577 16:09:39 -13.522851 0.0291 BFGS: 578 16:09:39 -13.523046 0.0289 BFGS: 579 16:09:39 -13.523240 0.0292 BFGS: 580 16:09:39 -13.523433 0.0291 BFGS: 581 16:09:39 -13.523624 0.0293 BFGS: 582 16:09:39 -13.523815 0.0292 BFGS: 583 16:09:39 -13.524004 0.0294 BFGS: 584 16:09:39 -13.524192 0.0293 BFGS: 585 16:09:39 -13.524379 0.0294 BFGS: 586 16:09:39 -13.524565 0.0294 BFGS: 587 16:09:39 -13.524750 0.0295 BFGS: 588 16:09:39 -13.524933 0.0294 BFGS: 589 16:09:39 -13.525115 0.0295 BFGS: 590 16:09:39 -13.525296 0.0294 BFGS: 591 16:09:39 -13.525475 0.0295 BFGS: 592 16:09:39 -13.525653 0.0294 BFGS: 593 16:09:39 -13.525830 0.0295 BFGS: 594 16:09:39 -13.526006 0.0294 BFGS: 595 16:09:39 -13.526180 0.0294 BFGS: 596 16:09:39 -13.526353 0.0294 BFGS: 597 16:09:39 -13.526525 0.0294 BFGS: 598 16:09:39 -13.526695 0.0293 BFGS: 599 16:09:39 -13.526864 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0.0260 BFGS: 627 16:09:39 -13.530997 0.0260 BFGS: 628 16:09:39 -13.531122 0.0257 BFGS: 629 16:09:39 -13.531246 0.0257 BFGS: 630 16:09:39 -13.531369 0.0253 BFGS: 631 16:09:39 -13.531490 0.0253 BFGS: 632 16:09:39 -13.531609 0.0248 BFGS: 633 16:09:39 -13.531727 0.0250 BFGS: 634 16:09:39 -13.531844 0.0244 BFGS: 635 16:09:39 -13.531958 0.0246 BFGS: 636 16:09:39 -13.532072 0.0239 BFGS: 637 16:09:39 -13.532183 0.0243 BFGS: 638 16:09:39 -13.532294 0.0234 BFGS: 639 16:09:39 -13.532402 0.0239 BFGS: 640 16:09:39 -13.532509 0.0229 BFGS: 641 16:09:39 -13.532615 0.0236 BFGS: 642 16:09:39 -13.532719 0.0225 BFGS: 643 16:09:39 -13.532821 0.0231 BFGS: 644 16:09:39 -13.532923 0.0221 BFGS: 645 16:09:39 -13.533022 0.0226 BFGS: 646 16:09:39 -13.533120 0.0217 BFGS: 647 16:09:39 -13.533216 0.0221 BFGS: 648 16:09:39 -13.533311 0.0214 BFGS: 649 16:09:39 -13.533405 0.0216 BFGS: 650 16:09:39 -13.533497 0.0210 BFGS: 651 16:09:39 -13.533587 0.0211 BFGS: 652 16:09:39 -13.533677 0.0206 BFGS: 653 16:09:39 -13.533764 0.0206 BFGS: 654 16:09:39 -13.533850 0.0201 BFGS: 655 16:09:39 -13.533935 0.0201 BFGS: 656 16:09:39 -13.534018 0.0197 BFGS: 657 16:09:39 -13.534100 0.0196 BFGS: 658 16:09:39 -13.534180 0.0193 BFGS: 659 16:09:39 -13.534259 0.0192 BFGS: 660 16:09:39 -13.534337 0.0188 BFGS: 661 16:09:39 -13.534413 0.0187 BFGS: 662 16:09:39 -13.534488 0.0183 BFGS: 663 16:09:39 -13.534561 0.0182 BFGS: 664 16:09:39 -13.534633 0.0179 BFGS: 665 16:09:40 -13.534703 0.0177 BFGS: 666 16:09:40 -13.534773 0.0174 BFGS: 667 16:09:40 -13.534841 0.0172 BFGS: 668 16:09:40 -13.534907 0.0169 BFGS: 669 16:09:40 -13.534972 0.0168 BFGS: 670 16:09:40 -13.535036 0.0164 BFGS: 671 16:09:40 -13.535099 0.0163 BFGS: 672 16:09:40 -13.535160 0.0159 BFGS: 673 16:09:40 -13.535220 0.0158 BFGS: 674 16:09:40 -13.535278 0.0155 BFGS: 675 16:09:40 -13.535336 0.0154 BFGS: 676 16:09:40 -13.535392 0.0150 BFGS: 677 16:09:40 -13.535447 0.0149 BFGS: 678 16:09:40 -13.535500 0.0145 BFGS: 679 16:09:40 -13.535553 0.0144 BFGS: 680 16:09:40 -13.535604 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0.0035 BFGS: 735 16:09:40 -13.536960 0.0033 BFGS: 736 16:09:40 -13.536966 0.0032 BFGS: 737 16:09:40 -13.536971 0.0030 BFGS: 738 16:09:40 -13.536977 0.0029 BFGS: 739 16:09:40 -13.536982 0.0027 BFGS: 740 16:09:40 -13.536986 0.0026 BFGS: 741 16:09:40 -13.536990 0.0024 BFGS: 742 16:09:40 -13.536994 0.0023 BFGS: 743 16:09:40 -13.536998 0.0021 BFGS: 744 16:09:40 -13.537002 0.0021 BFGS: 745 16:09:40 -13.537005 0.0019 BFGS: 746 16:09:40 -13.537008 0.0018 BFGS: 747 16:09:40 -13.537010 0.0016 BFGS: 748 16:09:40 -13.537013 0.0016 BFGS: 749 16:09:40 -13.537015 0.0014 BFGS: 750 16:09:40 -13.537017 0.0013 BFGS: 751 16:09:40 -13.537019 0.0011 BFGS: 752 16:09:40 -13.537021 0.0011 BFGS: 753 16:09:40 -13.537022 0.0009 BFGS: 754 16:09:40 -13.537024 0.0009 BFGS: 755 16:09:40 -13.537025 0.0007 BFGS: 756 16:09:40 -13.537026 0.0007 BFGS: 757 16:09:40 -13.537027 0.0008 BFGS: 758 16:09:40 -13.537029 0.0008 BFGS: 759 16:09:40 -13.537029 0.0008 BFGS: 760 16:09:40 -13.537030 0.0009 BFGS: 761 16:09:40 -13.537031 0.0009 BFGS: 762 16:09:40 -13.537032 0.0009 BFGS: 763 16:09:40 -13.537033 0.0009 BFGS: 764 16:09:40 -13.537034 0.0010 BFGS: 765 16:09:40 -13.537034 0.0010 BFGS: 766 16:09:40 -13.537035 0.0010 BFGS: 767 16:09:40 -13.537036 0.0010 BFGS: 768 16:09:40 -13.537036 0.0010 BFGS: 769 16:09:40 -13.537037 0.0010 BFGS: 770 16:09:40 -13.537038 0.0011 BFGS: 771 16:09:40 -13.537039 0.0011 BFGS: 772 16:09:40 -13.537039 0.0011 BFGS: 773 16:09:40 -13.537040 0.0011 BFGS: 774 16:09:40 -13.537041 0.0011 BFGS: 775 16:09:40 -13.537042 0.0011 BFGS: 776 16:09:40 -13.537043 0.0011 BFGS: 777 16:09:40 -13.537043 0.0011 BFGS: 778 16:09:40 -13.537044 0.0011 BFGS: 779 16:09:40 -13.537045 0.0011 BFGS: 780 16:09:40 -13.537046 0.0011 BFGS: 781 16:09:40 -13.537047 0.0011 BFGS: 782 16:09:40 -13.537033 0.0232 BFGS: 783 16:09:40 -13.537039 0.0194 BFGS: 784 16:09:40 -13.537042 0.0178 BFGS: 785 16:09:40 -13.537044 0.0167 BFGS: 786 16:09:40 -13.537046 0.0155 BFGS: 787 16:09:40 -13.537048 0.0144 BFGS: 788 16:09:40 -13.537050 0.0132 BFGS: 789 16:09:40 -13.537052 0.0121 BFGS: 790 16:09:40 -13.537053 0.0108 BFGS: 791 16:09:40 -13.537055 0.0096 BFGS: 792 16:09:40 -13.537057 0.0083 BFGS: 793 16:09:40 -13.537059 0.0070 BFGS: 794 16:09:40 -13.537061 0.0057 BFGS: 795 16:09:40 -13.537063 0.0043 BFGS: 796 16:09:40 -13.537064 0.0029 BFGS: 797 16:09:40 -13.537066 0.0015 BFGS: 798 16:09:40 -13.537068 0.0011 BFGS: 799 16:09:40 -13.537070 0.0015 BFGS: 800 16:09:40 -13.537071 0.0030 BFGS: 801 16:09:40 -13.537073 0.0045 BFGS: 802 16:09:40 -13.537075 0.0061 BFGS: 803 16:09:40 -13.537076 0.0076 BFGS: 804 16:09:40 -13.537078 0.0091 BFGS: 805 16:09:40 -13.537080 0.0107 BFGS: 806 16:09:40 -13.537082 0.0122 BFGS: 807 16:09:40 -13.537083 0.0136 BFGS: 808 16:09:40 -13.537085 0.0150 BFGS: 809 16:09:40 -13.537088 0.0162 BFGS: 810 16:09:40 -13.537090 0.0172 BFGS: 811 16:09:40 -13.537093 0.0178 BFGS: 812 16:09:40 -13.537096 0.0173 BFGS: 813 16:09:40 -13.537097 0.0152 BFGS: 814 16:09:40 -13.537098 0.0118 BFGS: 815 16:09:40 -13.537098 0.0090 BFGS: 816 16:09:40 -13.537098 0.0077 BFGS: 817 16:09:40 -13.537098 0.0061 BFGS: 818 16:09:40 -13.537099 0.0058 BFGS: 819 16:09:40 -13.537100 0.0054 BFGS: 820 16:09:40 -13.537101 0.0057 BFGS: 821 16:09:40 -13.537102 0.0058 BFGS: 822 16:09:40 -13.537103 0.0061 BFGS: 823 16:09:40 -13.537104 0.0063 BFGS: 824 16:09:40 -13.537105 0.0066 BFGS: 825 16:09:40 -13.537106 0.0068 BFGS: 826 16:09:40 -13.537107 0.0071 BFGS: 827 16:09:40 -13.537108 0.0072 BFGS: 828 16:09:40 -13.537109 0.0074 BFGS: 829 16:09:40 -13.537110 0.0076 BFGS: 830 16:09:41 -13.537111 0.0078 BFGS: 831 16:09:41 -13.537112 0.0079 BFGS: 832 16:09:41 -13.537113 0.0080 BFGS: 833 16:09:41 -13.537114 0.0082 BFGS: 834 16:09:41 -13.537115 0.0083 BFGS: 835 16:09:41 -13.537116 0.0084 BFGS: 836 16:09:41 -13.537117 0.0085 BFGS: 837 16:09:41 -13.537118 0.0085 BFGS: 838 16:09:41 -13.537119 0.0086 BFGS: 839 16:09:41 -13.537120 0.0087 BFGS: 840 16:09:41 -13.537122 0.0087 BFGS: 841 16:09:41 -13.537123 0.0088 BFGS: 842 16:09:41 -13.537124 0.0088 BFGS: 843 16:09:41 -13.537125 0.0088 BFGS: 844 16:09:41 -13.537126 0.0089 BFGS: 845 16:09:41 -13.537127 0.0089 BFGS: 846 16:09:41 -13.537128 0.0089 BFGS: 847 16:09:41 -13.537129 0.0089 BFGS: 848 16:09:41 -13.537130 0.0089 BFGS: 849 16:09:41 -13.537131 0.0088 BFGS: 850 16:09:41 -13.537132 0.0088 BFGS: 851 16:09:41 -13.537133 0.0088 BFGS: 852 16:09:41 -13.537134 0.0088 BFGS: 853 16:09:41 -13.537135 0.0087 BFGS: 854 16:09:41 -13.537136 0.0087 BFGS: 855 16:09:41 -13.537137 0.0087 BFGS: 856 16:09:41 -13.537138 0.0086 BFGS: 857 16:09:41 -13.537140 0.0086 BFGS: 858 16:09:41 -13.537141 0.0085 BFGS: 859 16:09:41 -13.537142 0.0084 BFGS: 860 16:09:41 -13.537143 0.0084 BFGS: 861 16:09:41 -13.537144 0.0083 BFGS: 862 16:09:41 -13.537145 0.0083 BFGS: 863 16:09:41 -13.537146 0.0082 BFGS: 864 16:09:41 -13.537147 0.0081 BFGS: 865 16:09:41 -13.537148 0.0081 BFGS: 866 16:09:41 -13.537149 0.0080 BFGS: 867 16:09:41 -13.537150 0.0079 BFGS: 868 16:09:41 -13.537151 0.0078 BFGS: 869 16:09:41 -13.537152 0.0078 BFGS: 870 16:09:41 -13.537153 0.0077 BFGS: 871 16:09:41 -13.537154 0.0076 BFGS: 872 16:09:41 -13.537155 0.0075 BFGS: 873 16:09:41 -13.537156 0.0075 BFGS: 874 16:09:41 -13.537157 0.0074 BFGS: 875 16:09:41 -13.537158 0.0073 BFGS: 876 16:09:41 -13.537159 0.0072 BFGS: 877 16:09:41 -13.537160 0.0072 BFGS: 878 16:09:41 -13.537161 0.0071 BFGS: 879 16:09:41 -13.537162 0.0070 BFGS: 880 16:09:41 -13.537163 0.0070 BFGS: 881 16:09:41 -13.537164 0.0069 BFGS: 882 16:09:41 -13.537165 0.0068 BFGS: 883 16:09:41 -13.537166 0.0067 BFGS: 884 16:09:41 -13.537167 0.0067 BFGS: 885 16:09:41 -13.537168 0.0066 BFGS: 886 16:09:41 -13.537169 0.0066 BFGS: 887 16:09:41 -13.537170 0.0065 BFGS: 888 16:09:41 -13.537171 0.0064 BFGS: 889 16:09:41 -13.537172 0.0063 BFGS: 890 16:09:41 -13.537173 0.0063 BFGS: 891 16:09:41 -13.537174 0.0062 BFGS: 892 16:09:41 -13.537175 0.0062 BFGS: 893 16:09:41 -13.537176 0.0060 BFGS: 894 16:09:41 -13.537177 0.0062 BFGS: 895 16:09:41 -13.537178 0.0058 BFGS: 896 16:09:41 -13.537179 0.0060 BFGS: 897 16:09:41 -13.537180 0.0058 BFGS: 898 16:09:41 -13.537181 0.0059 BFGS: 899 16:09:41 -13.537182 0.0058 BFGS: 900 16:09:41 -13.537183 0.0058 BFGS: 901 16:09:41 -13.537184 0.0057 BFGS: 902 16:09:41 -13.537185 0.0057 BFGS: 903 16:09:41 -13.537186 0.0056 BFGS: 904 16:09:41 -13.537187 0.0056 BFGS: 905 16:09:41 -13.537188 0.0056 BFGS: 906 16:09:41 -13.537188 0.0055 BFGS: 907 16:09:41 -13.537189 0.0055 BFGS: 908 16:09:41 -13.537190 0.0054 BFGS: 909 16:09:41 -13.537191 0.0054 BFGS: 910 16:09:41 -13.537192 0.0054 BFGS: 911 16:09:41 -13.537193 0.0053 BFGS: 912 16:09:41 -13.537194 0.0053 BFGS: 913 16:09:41 -13.537195 0.0052 BFGS: 914 16:09:41 -13.537196 0.0052 BFGS: 915 16:09:41 -13.537197 0.0052 BFGS: 916 16:09:41 -13.537197 0.0051 BFGS: 917 16:09:41 -13.537198 0.0051 BFGS: 918 16:09:41 -13.537199 0.0050 BFGS: 919 16:09:41 -13.537200 0.0050 BFGS: 920 16:09:41 -13.537201 0.0050 BFGS: 921 16:09:41 -13.537202 0.0049 BFGS: 922 16:09:41 -13.537203 0.0049 BFGS: 923 16:09:41 -13.537204 0.0048 BFGS: 924 16:09:41 -13.537204 0.0048 BFGS: 925 16:09:41 -13.537205 0.0047 BFGS: 926 16:09:41 -13.537206 0.0047 BFGS: 927 16:09:41 -13.537207 0.0046 BFGS: 928 16:09:41 -13.537208 0.0047 BFGS: 929 16:09:41 -13.537209 0.0045 BFGS: 930 16:09:41 -13.537209 0.0047 BFGS: 931 16:09:41 -13.537210 0.0044 BFGS: 932 16:09:41 -13.537211 0.0046 BFGS: 933 16:09:41 -13.537212 0.0044 BFGS: 934 16:09:41 -13.537213 0.0045 BFGS: 935 16:09:41 -13.537214 0.0044 BFGS: 936 16:09:41 -13.537214 0.0045 BFGS: 937 16:09:41 -13.537215 0.0044 BFGS: 938 16:09:41 -13.537216 0.0044 BFGS: 939 16:09:41 -13.537217 0.0044 BFGS: 940 16:09:41 -13.537218 0.0044 BFGS: 941 16:09:41 -13.537218 0.0043 BFGS: 942 16:09:41 -13.537219 0.0043 BFGS: 943 16:09:41 -13.537220 0.0043 BFGS: 944 16:09:41 -13.537221 0.0043 BFGS: 945 16:09:41 -13.537221 0.0043 BFGS: 946 16:09:41 -13.537222 0.0042 BFGS: 947 16:09:41 -13.537223 0.0042 BFGS: 948 16:09:41 -13.537224 0.0042 BFGS: 949 16:09:41 -13.537224 0.0042 BFGS: 950 16:09:41 -13.537225 0.0042 BFGS: 951 16:09:41 -13.537226 0.0041 BFGS: 952 16:09:41 -13.537227 0.0041 BFGS: 953 16:09:41 -13.537227 0.0041 BFGS: 954 16:09:41 -13.537228 0.0041 BFGS: 955 16:09:41 -13.537229 0.0040 BFGS: 956 16:09:41 -13.537230 0.0040 BFGS: 957 16:09:41 -13.537230 0.0040 BFGS: 958 16:09:41 -13.537231 0.0040 BFGS: 959 16:09:41 -13.537232 0.0039 BFGS: 960 16:09:41 -13.537232 0.0039 BFGS: 961 16:09:41 -13.537233 0.0038 BFGS: 962 16:09:41 -13.537234 0.0039 BFGS: 963 16:09:41 -13.537235 0.0037 BFGS: 964 16:09:41 -13.537235 0.0039 BFGS: 965 16:09:41 -13.537236 0.0037 BFGS: 966 16:09:41 -13.537237 0.0038 BFGS: 967 16:09:41 -13.537237 0.0037 BFGS: 968 16:09:41 -13.537238 0.0038 BFGS: 969 16:09:41 -13.537239 0.0037 BFGS: 970 16:09:41 -13.537239 0.0037 BFGS: 971 16:09:41 -13.537240 0.0037 BFGS: 972 16:09:41 -13.537241 0.0037 BFGS: 973 16:09:41 -13.537241 0.0037 BFGS: 974 16:09:41 -13.537242 0.0037 BFGS: 975 16:09:41 -13.537243 0.0036 BFGS: 976 16:09:41 -13.537243 0.0036 BFGS: 977 16:09:41 -13.537244 0.0036 BFGS: 978 16:09:41 -13.537244 0.0036 BFGS: 979 16:09:41 -13.537245 0.0036 BFGS: 980 16:09:41 -13.537246 0.0036 BFGS: 981 16:09:41 -13.537246 0.0035 BFGS: 982 16:09:41 -13.537247 0.0035 BFGS: 983 16:09:41 -13.537247 0.0035 BFGS: 984 16:09:41 -13.537248 0.0035 BFGS: 985 16:09:41 -13.537249 0.0034 BFGS: 986 16:09:41 -13.537249 0.0034 BFGS: 987 16:09:41 -13.537250 0.0034 BFGS: 988 16:09:41 -13.537250 0.0034 BFGS: 989 16:09:41 -13.537251 0.0033 BFGS: 990 16:09:41 -13.537251 0.0034 BFGS: 991 16:09:41 -13.537252 0.0033 BFGS: 992 16:09:41 -13.537253 0.0033 BFGS: 993 16:09:41 -13.537253 0.0032 BFGS: 994 16:09:41 -13.537254 0.0033 BFGS: 995 16:09:41 -13.537254 0.0031 BFGS: 996 16:09:41 -13.537255 0.0033 BFGS: 997 16:09:41 -13.537255 0.0031 BFGS: 998 16:09:41 -13.537256 0.0032 BFGS: 999 16:09:41 -13.537256 0.0031 BFGS: 1000 16:09:41 -13.537257 0.0032 BFGS: 1001 16:09:42 -13.537257 0.0031 BFGS: 1002 16:09:42 -13.537258 0.0031 BFGS: 1003 16:09:42 -13.537258 0.0031 BFGS: 1004 16:09:42 -13.537259 0.0031 BFGS: 1005 16:09:42 -13.537259 0.0030 BFGS: 1006 16:09:42 -13.537260 0.0030 BFGS: 1007 16:09:42 -13.537260 0.0030 BFGS: 1008 16:09:42 -13.537261 0.0030 BFGS: 1009 16:09:42 -13.537261 0.0030 BFGS: 1010 16:09:42 -13.537262 0.0030 BFGS: 1011 16:09:42 -13.537262 0.0029 BFGS: 1012 16:09:42 -13.537262 0.0029 BFGS: 1013 16:09:42 -13.537263 0.0029 BFGS: 1014 16:09:42 -13.537263 0.0029 BFGS: 1015 16:09:42 -13.537264 0.0028 BFGS: 1016 16:09:42 -13.537264 0.0028 BFGS: 1017 16:09:42 -13.537265 0.0028 BFGS: 1018 16:09:42 -13.537265 0.0028 BFGS: 1019 16:09:42 -13.537265 0.0027 BFGS: 1020 16:09:42 -13.537266 0.0027 BFGS: 1021 16:09:42 -13.537266 0.0026 BFGS: 1022 16:09:42 -13.537267 0.0027 BFGS: 1023 16:09:42 -13.537267 0.0026 BFGS: 1024 16:09:42 -13.537267 0.0026 BFGS: 1025 16:09:42 -13.537268 0.0025 BFGS: 1026 16:09:42 -13.537268 0.0026 BFGS: 1027 16:09:42 -13.537268 0.0024 BFGS: 1028 16:09:42 -13.537269 0.0025 BFGS: 1029 16:09:42 -13.537269 0.0024 BFGS: 1030 16:09:42 -13.537269 0.0025 BFGS: 1031 16:09:42 -13.537270 0.0024 BFGS: 1032 16:09:42 -13.537270 0.0024 BFGS: 1033 16:09:42 -13.537270 0.0023 BFGS: 1034 16:09:42 -13.537271 0.0024 BFGS: 1035 16:09:42 -13.537271 0.0023 BFGS: 1036 16:09:42 -13.537271 0.0023 BFGS: 1037 16:09:42 -13.537271 0.0022 BFGS: 1038 16:09:42 -13.537272 0.0022 BFGS: 1039 16:09:42 -13.537272 0.0022 BFGS: 1040 16:09:42 -13.537272 0.0022 BFGS: 1041 16:09:42 -13.537273 0.0021 BFGS: 1042 16:09:42 -13.537273 0.0021 BFGS: 1043 16:09:42 -13.537273 0.0021 BFGS: 1044 16:09:42 -13.537273 0.0020 BFGS: 1045 16:09:42 -13.537274 0.0020 BFGS: 1046 16:09:42 -13.537274 0.0020 BFGS: 1047 16:09:42 -13.537274 0.0019 BFGS: 1048 16:09:42 -13.537274 0.0019 BFGS: 1049 16:09:42 -13.537274 0.0018 BFGS: 1050 16:09:42 -13.537275 0.0018 BFGS: 1051 16:09:42 -13.537275 0.0017 BFGS: 1052 16:09:42 -13.537275 0.0018 BFGS: 1053 16:09:42 -13.537275 0.0016 BFGS: 1054 16:09:42 -13.537275 0.0017 BFGS: 1055 16:09:42 -13.537276 0.0015 BFGS: 1056 16:09:42 -13.537276 0.0016 BFGS: 1057 16:09:42 -13.537276 0.0015 BFGS: 1058 16:09:42 -13.537276 0.0015 BFGS: 1059 16:09:42 -13.537276 0.0014 BFGS: 1060 16:09:42 -13.537276 0.0014 BFGS: 1061 16:09:42 -13.537276 0.0014 BFGS: 1062 16:09:42 -13.537277 0.0014 BFGS: 1063 16:09:42 -13.537277 0.0013 BFGS: 1064 16:09:42 -13.537277 0.0013 BFGS: 1065 16:09:42 -13.537277 0.0012 BFGS: 1066 16:09:42 -13.537277 0.0012 BFGS: 1067 16:09:42 -13.537277 0.0011 BFGS: 1068 16:09:42 -13.537277 0.0011 BFGS: 1069 16:09:42 -13.537277 0.0009 BFGS: 1070 16:09:42 -13.537277 0.0009 BFGS: 1071 16:09:42 -13.537277 0.0008 BFGS: 1072 16:09:42 -13.537277 0.0008 BFGS: 1073 16:09:42 -13.537278 0.0007 BFGS: 1074 16:09:42 -13.537278 0.0007 BFGS: 1075 16:09:42 -13.537278 0.0005 BFGS: 1076 16:09:42 -13.537278 0.0006 BFGS: 1077 16:09:42 -13.537278 0.0003 BFGS: 1078 16:09:42 -13.537278 0.0004 BFGS: 1079 16:09:42 -13.537278 0.0001 BFGS: 1080 16:09:42 -13.537278 0.0002 BFGS: 1081 16:09:42 -13.537278 0.0001 BFGS: 1082 16:09:42 -13.537278 0.0000 BFGS: 1083 16:09:42 -13.537278 0.0000 BFGS: 1084 16:09:42 -13.537278 0.0000 BFGS: 1085 16:09:42 -13.537278 0.0000 BFGS: 1086 16:09:42 -13.537278 0.0000 BFGS: 1087 16:09:42 -13.537278 0.0000 BFGS: 1088 16:09:42 -13.537278 0.0000 BFGS: 1089 16:09:42 -13.537278 0.0000 BFGS: 1090 16:09:42 -13.537278 0.0000 BFGS: 1091 16:09:42 -13.537278 0.0000 BFGS: 1092 16:09:42 -13.537278 0.0000 BFGS: 1093 16:09:42 -13.537278 0.0000 BFGS: 1094 16:09:42 -13.537278 0.0000 BFGS: 1095 16:09:42 -13.537278 0.0000 BFGS: 1096 16:09:42 -13.537278 0.0000 BFGS: 1097 16:09:42 -13.537278 0.0000 BFGS: 1098 16:09:42 -13.537278 0.0000 BFGS: 1099 16:09:42 -13.537278 0.0000 Minimization converged after 1099 steps. Maximum force component: 2.7940087659035513e-10 eV/Angstrom Maximum stress component: 1.5241235264057369e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cl', 'Cl', 'Cl', 'Cl', 'Cl', 'Cl', 'Cl', 'Cl', 'Si', 'Si', 'Si', 'Si'] basis = [[0.65850584 0.75 0.47723535] [0.84149416 0.25 0.97723535] [0.34149416 0.25 0.02276465] [0.15850584 0.75 0.52276465] [0.75 0.3101325 0.71586773] [0.75 0.6898675 0.21586773] [0.25 0.8101325 0.78413227] [0.25 0.1898675 0.28413227] [0.15850584 0.25 0.49056134] [0.34149416 0.75 0.99056134] [0.84149416 0.75 0.00943866] [0.65850584 0.25 0.50943866]] cellpar = Cell([4.005456772244982, 5.84747883904109, 71.8135919017927]) forces = [[ 2.69567646e-10 2.79400877e-10 -4.13907748e-12] [-2.69567646e-10 -2.79400877e-10 -4.13907748e-12] [-2.69567646e-10 2.79400877e-10 4.13907748e-12] [ 2.69567646e-10 -2.79400877e-10 4.13907748e-12] [-4.14075424e-13 2.35077278e-21 -2.97520741e-12] [ 4.14075424e-13 -2.35077278e-21 -2.97520741e-12] [ 4.14075424e-13 2.35077278e-21 2.97520741e-12] [-4.14075424e-13 -2.35077278e-21 2.97520741e-12] [-2.69567496e-10 -9.61137938e-11 -7.29282830e-11] [ 2.69567496e-10 9.61137938e-11 -7.29282830e-11] [ 2.69567496e-10 -9.61137938e-11 7.29282830e-11] [-2.69567496e-10 9.61137938e-11 7.29282830e-11]] stress = [-1.46240605e-12 1.52412353e-12 -1.50985512e-13 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -1.1045279368041345 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0