element(s): ['O'] AFLOW prototype label: A_mC16_12_2ij Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['8.8714', '0.72872376', '0.90691435', '149.5346', '0.035798797', '0.8320927', '0.27785058', '0.13359954', '0.37903066', '0.26389389', '0.84925787'] model name: Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O'] representative atom coordinates = [[0.7962939 0. 0.76049511] [0.85574896 0. 0.57789838] [0.97022721 0.76389389 0.09119655]] spacegroup = 12 cell = [[9.5678, 0, 0], [0, 6.4648, 0], [-2.4667174184809, 0, 3.7823205228224]] ========================================= Step Time Energy fmax BFGS: 0 15:20:41 -34.884051 1.438858 BFGS: 1 15:20:41 -35.363151 1.328730 BFGS: 2 15:20:41 -36.363272 1.079525 BFGS: 3 15:20:41 -37.173811 0.836531 BFGS: 4 15:20:41 -37.801183 0.708007 BFGS: 5 15:20:41 -38.285927 0.616749 BFGS: 6 15:20:41 -38.647546 0.550233 BFGS: 7 15:20:41 -38.904238 0.501305 BFGS: 8 15:20:41 -39.053261 0.472903 BFGS: 9 15:20:41 -39.111878 0.461908 BFGS: 10 15:20:41 -39.124785 0.456722 BFGS: 11 15:20:41 -39.141420 0.451416 BFGS: 12 15:20:41 -39.180157 0.438891 BFGS: 13 15:20:41 -39.221494 0.425787 BFGS: 14 15:20:41 -39.264334 0.412344 BFGS: 15 15:20:41 -39.307912 0.398845 BFGS: 16 15:20:41 -39.351671 0.385425 BFGS: 17 15:20:41 -39.395205 0.372218 BFGS: 18 15:20:41 -39.438213 0.359301 BFGS: 19 15:20:41 -39.480485 0.346729 BFGS: 20 15:20:41 -39.521872 0.334518 BFGS: 21 15:20:41 -39.562274 0.322680 BFGS: 22 15:20:41 -39.601627 0.311216 BFGS: 23 15:20:41 -39.639896 0.303350 BFGS: 24 15:20:41 -39.677063 0.296856 BFGS: 25 15:20:41 -39.713125 0.290519 BFGS: 26 15:20:41 -39.748091 0.284342 BFGS: 27 15:20:41 -39.781977 0.278324 BFGS: 28 15:20:41 -39.814804 0.272463 BFGS: 29 15:20:41 -39.846599 0.266756 BFGS: 30 15:20:41 -39.877388 0.261196 BFGS: 31 15:20:41 -39.907202 0.255777 BFGS: 32 15:20:41 -39.936072 0.250493 BFGS: 33 15:20:41 -39.964030 0.245335 BFGS: 34 15:20:41 -39.991107 0.240274 BFGS: 35 15:20:41 -40.017349 0.235145 BFGS: 36 15:20:41 -40.042820 0.229757 BFGS: 37 15:20:41 -40.067600 0.224006 BFGS: 38 15:20:41 -40.091771 0.217886 BFGS: 39 15:20:41 -40.115445 0.212668 BFGS: 40 15:20:41 -40.138905 0.211158 BFGS: 41 15:20:41 -40.162584 0.213690 BFGS: 42 15:20:41 -40.187012 0.220314 BFGS: 43 15:20:41 -40.212321 0.259401 BFGS: 44 15:20:41 -40.238626 0.328188 BFGS: 45 15:20:41 -40.266651 0.395204 BFGS: 46 15:20:41 -40.304424 0.459370 BFGS: 47 15:20:41 -40.403191 1.017281 BFGS: 48 15:20:41 -40.487787 0.680859 BFGS: 49 15:20:41 -40.517727 0.824414 BFGS: 50 15:20:41 -40.546624 0.962554 BFGS: 51 15:20:41 -40.575176 1.058773 BFGS: 52 15:20:41 -40.603395 1.033882 BFGS: 53 15:20:41 -40.574151 1.339949 BFGS: 54 15:20:41 -40.623910 0.808398 BFGS: 55 15:20:41 -40.628531 0.687827 BFGS: 56 15:20:41 -40.633806 0.682098 BFGS: 57 15:20:41 -40.638324 0.725830 BFGS: 58 15:20:41 -40.611022 1.295295 BFGS: 59 15:20:41 -40.655916 0.933622 BFGS: 60 15:20:41 -40.660025 0.970443 BFGS: 61 15:20:41 -40.670265 1.120590 BFGS: 62 15:20:41 -40.679054 1.279257 BFGS: 63 15:20:41 -40.685467 1.330748 BFGS: 64 15:20:41 -40.691895 1.330985 BFGS: 65 15:20:41 -40.699245 1.226793 BFGS: 66 15:20:41 -40.711429 1.149593 BFGS: 67 15:20:42 -40.725627 0.687123 BFGS: 68 15:20:42 -40.737334 0.346619 BFGS: 69 15:20:42 -40.740178 0.079583 BFGS: 70 15:20:42 -40.740614 0.056650 BFGS: 71 15:20:42 -40.740766 0.060337 BFGS: 72 15:20:42 -40.740974 0.066282 BFGS: 73 15:20:42 -40.741381 0.071108 BFGS: 74 15:20:42 -40.742442 0.088012 BFGS: 75 15:20:42 -40.744830 0.137703 BFGS: 76 15:20:42 -40.748353 0.180073 BFGS: 77 15:20:42 -40.752277 0.194686 BFGS: 78 15:20:42 -40.758670 0.195863 BFGS: 79 15:20:42 -40.780764 0.258798 BFGS: 80 15:20:42 -40.827993 0.516630 BFGS: 81 15:20:42 -40.821933 0.709557 BFGS: 82 15:20:42 -40.686148 2.052855 BFGS: 83 15:20:42 -40.844415 0.400023 BFGS: 84 15:20:42 -40.845522 0.161861 BFGS: 85 15:20:42 -40.846068 0.186528 BFGS: 86 15:20:42 -40.846148 0.159669 BFGS: 87 15:20:42 -40.846224 0.149897 BFGS: 88 15:20:42 -40.846427 0.125767 BFGS: 89 15:20:42 -40.846778 0.104230 BFGS: 90 15:20:42 -40.847981 0.119465 BFGS: 91 15:20:42 -40.850053 0.182415 BFGS: 92 15:20:42 -40.852430 0.220143 BFGS: 93 15:20:42 -40.855034 0.242057 BFGS: 94 15:20:42 -40.857403 0.249081 BFGS: 95 15:20:42 -40.858808 0.190177 BFGS: 96 15:20:42 -40.860012 0.141312 BFGS: 97 15:20:42 -40.860478 0.035007 BFGS: 98 15:20:42 -40.860497 0.028442 BFGS: 99 15:20:42 -40.860540 0.032567 BFGS: 100 15:20:42 -40.860583 0.038962 BFGS: 101 15:20:42 -40.860774 0.063250 BFGS: 102 15:20:42 -40.861192 0.103153 BFGS: 103 15:20:42 -40.862304 0.164164 BFGS: 104 15:20:42 -40.863520 0.192872 BFGS: 105 15:20:42 -40.864862 0.207888 BFGS: 106 15:20:42 -40.866284 0.214505 BFGS: 107 15:20:42 -40.867739 0.214647 BFGS: 108 15:20:42 -40.869187 0.210221 BFGS: 109 15:20:42 -40.870594 0.202475 BFGS: 110 15:20:42 -40.871935 0.192218 BFGS: 111 15:20:42 -40.873190 0.179929 BFGS: 112 15:20:42 -40.874342 0.165851 BFGS: 113 15:20:42 -40.875379 0.150068 BFGS: 114 15:20:42 -40.876290 0.132547 BFGS: 115 15:20:42 -40.877064 0.113202 BFGS: 116 15:20:42 -40.877691 0.091979 BFGS: 117 15:20:42 -40.878161 0.082311 BFGS: 118 15:20:42 -40.878466 0.092421 BFGS: 119 15:20:42 -40.878600 0.106978 BFGS: 120 15:20:42 -40.878615 0.106477 BFGS: 121 15:20:43 -40.878656 0.108146 BFGS: 122 15:20:43 -40.878722 0.098113 BFGS: 123 15:20:43 -40.878885 0.105405 BFGS: 124 15:20:43 -40.879242 0.108324 BFGS: 125 15:20:43 -40.879868 0.129508 BFGS: 126 15:20:43 -40.880573 0.139969 BFGS: 127 15:20:43 -40.881311 0.141893 BFGS: 128 15:20:43 -40.882064 0.140474 BFGS: 129 15:20:43 -40.882820 0.137329 BFGS: 130 15:20:43 -40.883577 0.133544 BFGS: 131 15:20:43 -40.884334 0.129597 BFGS: 132 15:20:43 -40.885092 0.125654 BFGS: 133 15:20:43 -40.885852 0.121652 BFGS: 134 15:20:43 -40.886609 0.117457 BFGS: 135 15:20:43 -40.887357 0.112985 BFGS: 136 15:20:43 -40.888089 0.108237 BFGS: 137 15:20:43 -40.888803 0.103264 BFGS: 138 15:20:43 -40.889494 0.098129 BFGS: 139 15:20:43 -40.890160 0.092875 BFGS: 140 15:20:43 -40.890798 0.087575 BFGS: 141 15:20:43 -40.891410 0.082276 BFGS: 142 15:20:43 -40.891994 0.077024 BFGS: 143 15:20:43 -40.892550 0.071838 BFGS: 144 15:20:43 -40.893081 0.066730 BFGS: 145 15:20:43 -40.893586 0.061686 BFGS: 146 15:20:43 -40.894067 0.056680 BFGS: 147 15:20:43 -40.894527 0.051658 BFGS: 148 15:20:43 -40.894969 0.046537 BFGS: 149 15:20:43 -40.895395 0.042685 BFGS: 150 15:20:43 -40.895812 0.046046 BFGS: 151 15:20:43 -40.896235 0.050786 BFGS: 152 15:20:43 -40.896657 0.056821 BFGS: 153 15:20:43 -40.897088 0.060253 BFGS: 154 15:20:43 -40.897513 0.068954 BFGS: 155 15:20:43 -40.898031 0.042235 BFGS: 156 15:20:43 -40.898508 0.040587 BFGS: 157 15:20:43 -40.899034 0.059365 BFGS: 158 15:20:43 -40.899538 0.092856 BFGS: 159 15:20:43 -40.899973 0.131560 BFGS: 160 15:20:43 -40.900428 0.140917 BFGS: 161 15:20:43 -40.900841 0.154990 BFGS: 162 15:20:43 -40.901243 0.160976 BFGS: 163 15:20:43 -40.901629 0.166554 BFGS: 164 15:20:43 -40.902002 0.169303 BFGS: 165 15:20:43 -40.902359 0.170533 BFGS: 166 15:20:43 -40.902703 0.170319 BFGS: 167 15:20:43 -40.903032 0.169107 BFGS: 168 15:20:43 -40.903346 0.166954 BFGS: 169 15:20:43 -40.903645 0.164063 BFGS: 170 15:20:43 -40.903928 0.160503 BFGS: 171 15:20:43 -40.904195 0.156423 BFGS: 172 15:20:43 -40.904446 0.151928 BFGS: 173 15:20:44 -40.904681 0.147182 BFGS: 174 15:20:44 -40.904901 0.142345 BFGS: 175 15:20:44 -40.905105 0.137632 BFGS: 176 15:20:44 -40.905295 0.133276 BFGS: 177 15:20:44 -40.905473 0.129557 BFGS: 178 15:20:44 -40.905640 0.126764 BFGS: 179 15:20:44 -40.905799 0.125181 BFGS: 180 15:20:44 -40.905953 0.125084 BFGS: 181 15:20:44 -40.906103 0.127553 BFGS: 182 15:20:44 -40.906249 0.130300 BFGS: 183 15:20:44 -40.906391 0.133710 BFGS: 184 15:20:44 -40.906530 0.137180 BFGS: 185 15:20:44 -40.906667 0.140904 BFGS: 186 15:20:44 -40.906800 0.144624 BFGS: 187 15:20:44 -40.906931 0.148414 BFGS: 188 15:20:44 -40.907061 0.152137 BFGS: 189 15:20:44 -40.907188 0.155822 BFGS: 190 15:20:44 -40.907315 0.159384 BFGS: 191 15:20:44 -40.907442 0.162835 BFGS: 192 15:20:44 -40.907569 0.166116 BFGS: 193 15:20:44 -40.907697 0.169235 BFGS: 194 15:20:44 -40.907828 0.172147 BFGS: 195 15:20:44 -40.907961 0.174860 BFGS: 196 15:20:44 -40.908098 0.177332 BFGS: 197 15:20:44 -40.908240 0.179575 BFGS: 198 15:20:44 -40.908390 0.181018 BFGS: 199 15:20:44 -40.908548 0.182010 BFGS: 200 15:20:44 -40.908716 0.182435 BFGS: 201 15:20:44 -40.908891 0.182200 BFGS: 202 15:20:44 -40.909071 0.181804 BFGS: 203 15:20:44 -40.909259 0.181030 BFGS: 204 15:20:44 -40.909453 0.180248 BFGS: 205 15:20:44 -40.909656 0.179585 BFGS: 206 15:20:44 -40.909865 0.179858 BFGS: 207 15:20:44 -40.910084 0.179720 BFGS: 208 15:20:44 -40.910309 0.179772 BFGS: 209 15:20:44 -40.910544 0.179233 BFGS: 210 15:20:44 -40.910784 0.179151 BFGS: 211 15:20:44 -40.911030 0.177637 BFGS: 212 15:20:44 -40.911276 0.173411 BFGS: 213 15:20:44 -40.911556 0.154170 BFGS: 214 15:20:44 -40.911856 0.128436 BFGS: 215 15:20:44 -40.912116 0.114967 BFGS: 216 15:20:44 -40.912438 0.117342 BFGS: 217 15:20:44 -40.912693 0.115484 BFGS: 218 15:20:44 -40.912939 0.117711 BFGS: 219 15:20:44 -40.913122 0.115216 BFGS: 220 15:20:44 -40.913283 0.117548 BFGS: 221 15:20:44 -40.913387 0.114444 BFGS: 222 15:20:44 -40.913460 0.113088 BFGS: 223 15:20:44 -40.913499 0.104396 BFGS: 224 15:20:44 -40.913524 0.095601 BFGS: 225 15:20:44 -40.913540 0.083804 BFGS: 226 15:20:44 -40.913561 0.069499 BFGS: 227 15:20:44 -40.913585 0.058529 BFGS: 228 15:20:44 -40.913670 0.040729 BFGS: 229 15:20:44 -40.913837 0.042698 BFGS: 230 15:20:44 -40.914064 0.055352 BFGS: 231 15:20:44 -40.914246 0.060894 BFGS: 232 15:20:44 -40.914409 0.062535 BFGS: 233 15:20:44 -40.914558 0.059490 BFGS: 234 15:20:44 -40.914693 0.047556 BFGS: 235 15:20:44 -40.914794 0.021182 BFGS: 236 15:20:44 -40.914816 0.009542 BFGS: 237 15:20:44 -40.914824 0.009738 BFGS: 238 15:20:44 -40.914830 0.007080 BFGS: 239 15:20:45 -40.914831 0.006187 BFGS: 240 15:20:45 -40.914832 0.005580 BFGS: 241 15:20:45 -40.914832 0.005717 BFGS: 242 15:20:45 -40.914832 0.005962 BFGS: 243 15:20:45 -40.914833 0.005956 BFGS: 244 15:20:45 -40.914833 0.005646 BFGS: 245 15:20:45 -40.914833 0.006145 BFGS: 246 15:20:45 -40.914834 0.006995 BFGS: 247 15:20:45 -40.914836 0.008165 BFGS: 248 15:20:45 -40.914840 0.012383 BFGS: 249 15:20:45 -40.914850 0.019496 BFGS: 250 15:20:45 -40.914878 0.031234 BFGS: 251 15:20:45 -40.914951 0.050060 BFGS: 252 15:20:45 -40.915091 0.069665 BFGS: 253 15:20:45 -40.915251 0.081557 BFGS: 254 15:20:45 -40.915427 0.089011 BFGS: 255 15:20:45 -40.915615 0.093703 BFGS: 256 15:20:45 -40.915811 0.096529 BFGS: 257 15:20:45 -40.916013 0.098024 BFGS: 258 15:20:45 -40.916217 0.098520 BFGS: 259 15:20:45 -40.916420 0.098266 BFGS: 260 15:20:45 -40.916620 0.097439 BFGS: 261 15:20:45 -40.916817 0.096167 BFGS: 262 15:20:45 -40.917012 0.094528 BFGS: 263 15:20:45 -40.917203 0.092596 BFGS: 264 15:20:45 -40.917392 0.090391 BFGS: 265 15:20:45 -40.917577 0.087992 BFGS: 266 15:20:45 -40.917759 0.085327 BFGS: 267 15:20:45 -40.917938 0.082616 BFGS: 268 15:20:45 -40.918114 0.079435 BFGS: 269 15:20:45 -40.918286 0.076783 BFGS: 270 15:20:45 -40.918457 0.072477 BFGS: 271 15:20:45 -40.918621 0.071455 BFGS: 272 15:20:45 -40.918786 0.067373 BFGS: 273 15:20:45 -40.918944 0.065899 BFGS: 274 15:20:45 -40.919101 0.062799 BFGS: 275 15:20:45 -40.919252 0.060626 BFGS: 276 15:20:45 -40.919401 0.058026 BFGS: 277 15:20:45 -40.919544 0.055913 BFGS: 278 15:20:45 -40.919684 0.053601 BFGS: 279 15:20:45 -40.919820 0.051943 BFGS: 280 15:20:45 -40.919952 0.050448 BFGS: 281 15:20:45 -40.920080 0.049210 BFGS: 282 15:20:45 -40.920205 0.047651 BFGS: 283 15:20:45 -40.920324 0.046547 BFGS: 284 15:20:45 -40.920442 0.044889 BFGS: 285 15:20:45 -40.920554 0.044084 BFGS: 286 15:20:45 -40.920665 0.042092 BFGS: 287 15:20:45 -40.920769 0.042008 BFGS: 288 15:20:45 -40.920875 0.039245 BFGS: 289 15:20:45 -40.920972 0.040080 BFGS: 290 15:20:45 -40.921072 0.037345 BFGS: 291 15:20:45 -40.921164 0.037694 BFGS: 292 15:20:45 -40.921257 0.035947 BFGS: 293 15:20:46 -40.921345 0.035776 BFGS: 294 15:20:46 -40.921433 0.034541 BFGS: 295 15:20:46 -40.921518 0.034262 BFGS: 296 15:20:46 -40.921603 0.033198 BFGS: 297 15:20:46 -40.921684 0.033027 BFGS: 298 15:20:46 -40.921766 0.031878 BFGS: 299 15:20:46 -40.921844 0.032071 BFGS: 300 15:20:46 -40.921924 0.030457 BFGS: 301 15:20:46 -40.921999 0.031453 BFGS: 302 15:20:46 -40.922077 0.029457 BFGS: 303 15:20:46 -40.922150 0.031275 BFGS: 304 15:20:46 -40.922224 0.030729 BFGS: 305 15:20:46 -40.922296 0.031617 BFGS: 306 15:20:46 -40.922368 0.031642 BFGS: 307 15:20:46 -40.922439 0.031914 BFGS: 308 15:20:46 -40.922508 0.032289 BFGS: 309 15:20:46 -40.922577 0.031934 BFGS: 310 15:20:46 -40.922644 0.032916 BFGS: 311 15:20:46 -40.922712 0.031719 BFGS: 312 15:20:46 -40.922777 0.033184 BFGS: 313 15:20:46 -40.922843 0.032035 BFGS: 314 15:20:46 -40.922907 0.032933 BFGS: 315 15:20:46 -40.922972 0.032165 BFGS: 316 15:20:46 -40.923034 0.032707 BFGS: 317 15:20:46 -40.923098 0.031944 BFGS: 318 15:20:46 -40.923160 0.032463 BFGS: 319 15:20:46 -40.923222 0.031467 BFGS: 320 15:20:46 -40.923283 0.032173 BFGS: 321 15:20:46 -40.923345 0.030899 BFGS: 322 15:20:46 -40.923405 0.031723 BFGS: 323 15:20:46 -40.923466 0.030471 BFGS: 324 15:20:46 -40.923525 0.031041 BFGS: 325 15:20:46 -40.923586 0.030032 BFGS: 326 15:20:46 -40.923644 0.030279 BFGS: 327 15:20:46 -40.923704 0.029433 BFGS: 328 15:20:46 -40.923762 0.029500 BFGS: 329 15:20:46 -40.923820 0.028690 BFGS: 330 15:20:46 -40.923877 0.028721 BFGS: 331 15:20:46 -40.923935 0.027835 BFGS: 332 15:20:46 -40.923991 0.027980 BFGS: 333 15:20:46 -40.924048 0.026887 BFGS: 334 15:20:46 -40.924102 0.027335 BFGS: 335 15:20:46 -40.924158 0.025948 BFGS: 336 15:20:46 -40.924211 0.026723 BFGS: 337 15:20:46 -40.924266 0.025330 BFGS: 338 15:20:46 -40.924318 0.025970 BFGS: 339 15:20:46 -40.924371 0.024919 BFGS: 340 15:20:46 -40.924422 0.025233 BFGS: 341 15:20:46 -40.924474 0.024424 BFGS: 342 15:20:47 -40.924524 0.024584 BFGS: 343 15:20:47 -40.924574 0.023810 BFGS: 344 15:20:47 -40.924623 0.024030 BFGS: 345 15:20:47 -40.924672 0.023079 BFGS: 346 15:20:47 -40.924719 0.023625 BFGS: 347 15:20:47 -40.924767 0.022360 BFGS: 348 15:20:47 -40.924813 0.023203 BFGS: 349 15:20:47 -40.924860 0.022074 BFGS: 350 15:20:47 -40.924904 0.022556 BFGS: 351 15:20:47 -40.924950 0.021811 BFGS: 352 15:20:47 -40.924993 0.021971 BFGS: 353 15:20:47 -40.925037 0.021378 BFGS: 354 15:20:47 -40.925080 0.021457 BFGS: 355 15:20:47 -40.925123 0.020816 BFGS: 356 15:20:47 -40.925164 0.021020 BFGS: 357 15:20:47 -40.925206 0.020128 BFGS: 358 15:20:47 -40.925246 0.020745 BFGS: 359 15:20:47 -40.925287 0.019397 BFGS: 360 15:20:47 -40.925325 0.020549 BFGS: 361 15:20:47 -40.925365 0.019185 BFGS: 362 15:20:47 -40.925403 0.020105 BFGS: 363 15:20:47 -40.925441 0.019237 BFGS: 364 15:20:47 -40.925478 0.019707 BFGS: 365 15:20:47 -40.925515 0.019126 BFGS: 366 15:20:47 -40.925551 0.019384 BFGS: 367 15:20:47 -40.925588 0.018873 BFGS: 368 15:20:47 -40.925623 0.019083 BFGS: 369 15:20:47 -40.925658 0.018520 BFGS: 370 15:20:47 -40.925692 0.018799 BFGS: 371 15:20:47 -40.925727 0.018093 BFGS: 372 15:20:47 -40.925760 0.018549 BFGS: 373 15:20:47 -40.925793 0.017655 BFGS: 374 15:20:47 -40.925825 0.018310 BFGS: 375 15:20:47 -40.925858 0.017330 BFGS: 376 15:20:47 -40.925890 0.018030 BFGS: 377 15:20:47 -40.925922 0.017122 BFGS: 378 15:20:47 -40.925952 0.017746 BFGS: 379 15:20:47 -40.925983 0.016925 BFGS: 380 15:20:47 -40.926013 0.017496 BFGS: 381 15:20:47 -40.926043 0.016704 BFGS: 382 15:20:47 -40.926072 0.017270 BFGS: 383 15:20:47 -40.926101 0.016482 BFGS: 384 15:20:47 -40.926129 0.017038 BFGS: 385 15:20:47 -40.926158 0.016280 BFGS: 386 15:20:47 -40.926185 0.016781 BFGS: 387 15:20:47 -40.926213 0.016078 BFGS: 388 15:20:47 -40.926240 0.016513 BFGS: 389 15:20:47 -40.926267 0.015839 BFGS: 390 15:20:47 -40.926293 0.016256 BFGS: 391 15:20:47 -40.926320 0.015548 BFGS: 392 15:20:47 -40.926345 0.016037 BFGS: 393 15:20:47 -40.926371 0.015222 BFGS: 394 15:20:47 -40.926396 0.015867 BFGS: 395 15:20:47 -40.926421 0.014954 BFGS: 396 15:20:47 -40.926445 0.015689 BFGS: 397 15:20:47 -40.926469 0.014848 BFGS: 398 15:20:47 -40.926493 0.015453 BFGS: 399 15:20:47 -40.926516 0.014794 BFGS: 400 15:20:47 -40.926539 0.015210 BFGS: 401 15:20:47 -40.926562 0.014667 BFGS: 402 15:20:47 -40.926585 0.014979 BFGS: 403 15:20:47 -40.926607 0.014446 BFGS: 404 15:20:47 -40.926629 0.014765 BFGS: 405 15:20:47 -40.926651 0.014143 BFGS: 406 15:20:47 -40.926672 0.014588 BFGS: 407 15:20:47 -40.926693 0.013795 BFGS: 408 15:20:47 -40.926714 0.014453 BFGS: 409 15:20:47 -40.926735 0.013532 BFGS: 410 15:20:47 -40.926755 0.014284 BFGS: 411 15:20:47 -40.926775 0.013450 BFGS: 412 15:20:47 -40.926794 0.014062 BFGS: 413 15:20:47 -40.926814 0.013401 BFGS: 414 15:20:47 -40.926833 0.013856 BFGS: 415 15:20:47 -40.926852 0.013283 BFGS: 416 15:20:47 -40.926870 0.013673 BFGS: 417 15:20:47 -40.926889 0.013098 BFGS: 418 15:20:47 -40.926907 0.013503 BFGS: 419 15:20:47 -40.926925 0.012893 BFGS: 420 15:20:47 -40.926943 0.013336 BFGS: 421 15:20:47 -40.926960 0.012684 BFGS: 422 15:20:47 -40.926977 0.013156 BFGS: 423 15:20:47 -40.926994 0.012489 BFGS: 424 15:20:47 -40.927011 0.012973 BFGS: 425 15:20:47 -40.927028 0.012294 BFGS: 426 15:20:47 -40.927044 0.012814 BFGS: 427 15:20:47 -40.927060 0.012103 BFGS: 428 15:20:47 -40.927075 0.012675 BFGS: 429 15:20:47 -40.927091 0.011936 BFGS: 430 15:20:47 -40.927106 0.012535 BFGS: 431 15:20:47 -40.927122 0.011812 BFGS: 432 15:20:47 -40.927136 0.012373 BFGS: 433 15:20:47 -40.927151 0.011715 BFGS: 434 15:20:47 -40.927165 0.012197 BFGS: 435 15:20:47 -40.927180 0.011605 BFGS: 436 15:20:47 -40.927194 0.012024 BFGS: 437 15:20:47 -40.927208 0.011450 BFGS: 438 15:20:47 -40.927221 0.011863 BFGS: 439 15:20:47 -40.927235 0.011257 BFGS: 440 15:20:47 -40.927248 0.011722 BFGS: 441 15:20:47 -40.927261 0.011059 BFGS: 442 15:20:47 -40.927274 0.011592 BFGS: 443 15:20:47 -40.927287 0.010907 BFGS: 444 15:20:47 -40.927299 0.011454 BFGS: 445 15:20:47 -40.927311 0.010809 BFGS: 446 15:20:47 -40.927323 0.011304 BFGS: 447 15:20:47 -40.927335 0.010717 BFGS: 448 15:20:47 -40.927347 0.011152 BFGS: 449 15:20:47 -40.927358 0.010595 BFGS: 450 15:20:47 -40.927370 0.011004 BFGS: 451 15:20:47 -40.927381 0.010436 BFGS: 452 15:20:47 -40.927392 0.010860 BFGS: 453 15:20:47 -40.927403 0.010252 BFGS: 454 15:20:47 -40.927413 0.010724 BFGS: 455 15:20:47 -40.927424 0.010071 BFGS: 456 15:20:47 -40.927434 0.010596 BFGS: 457 15:20:47 -40.927445 0.009925 BFGS: 458 15:20:47 -40.927454 0.010468 BFGS: 459 15:20:47 -40.927464 0.009825 BFGS: 460 15:20:47 -40.927474 0.010333 BFGS: 461 15:20:47 -40.927484 0.009747 BFGS: 462 15:20:47 -40.927493 0.010195 BFGS: 463 15:20:47 -40.927502 0.009657 BFGS: 464 15:20:47 -40.927511 0.010057 BFGS: 465 15:20:47 -40.927520 0.009534 BFGS: 466 15:20:47 -40.927529 0.009920 BFGS: 467 15:20:47 -40.927538 0.009381 BFGS: 468 15:20:47 -40.927546 0.009789 BFGS: 469 15:20:47 -40.927554 0.009210 BFGS: 470 15:20:47 -40.927562 0.009667 BFGS: 471 15:20:47 -40.927571 0.009050 BFGS: 472 15:20:47 -40.927578 0.009550 BFGS: 473 15:20:47 -40.927586 0.008928 BFGS: 474 15:20:47 -40.927594 0.009429 BFGS: 475 15:20:47 -40.927602 0.008840 BFGS: 476 15:20:47 -40.927609 0.009301 BFGS: 477 15:20:47 -40.927616 0.008756 BFGS: 478 15:20:48 -40.927623 0.009170 BFGS: 479 15:20:48 -40.927631 0.008651 BFGS: 480 15:20:48 -40.927637 0.009040 BFGS: 481 15:20:48 -40.927644 0.008517 BFGS: 482 15:20:48 -40.927651 0.008915 BFGS: 483 15:20:48 -40.927658 0.008365 BFGS: 484 15:20:48 -40.927664 0.008798 BFGS: 485 15:20:48 -40.927670 0.008219 BFGS: 486 15:20:48 -40.927677 0.008687 BFGS: 487 15:20:48 -40.927683 0.008104 BFGS: 488 15:20:48 -40.927689 0.008572 BFGS: 489 15:20:48 -40.927695 0.008017 BFGS: 490 15:20:48 -40.927700 0.008451 BFGS: 491 15:20:48 -40.927706 0.007932 BFGS: 492 15:20:48 -40.927712 0.008328 BFGS: 493 15:20:48 -40.927717 0.007826 BFGS: 494 15:20:48 -40.927723 0.008205 BFGS: 495 15:20:48 -40.927728 0.007695 BFGS: 496 15:20:48 -40.927733 0.008087 BFGS: 497 15:20:48 -40.927739 0.007551 BFGS: 498 15:20:48 -40.927744 0.007977 BFGS: 499 15:20:48 -40.927749 0.007418 BFGS: 500 15:20:48 -40.927753 0.007870 BFGS: 501 15:20:48 -40.927758 0.007316 BFGS: 502 15:20:48 -40.927763 0.007759 BFGS: 503 15:20:48 -40.927768 0.007235 BFGS: 504 15:20:48 -40.927772 0.007644 BFGS: 505 15:20:48 -40.927777 0.007149 BFGS: 506 15:20:48 -40.927781 0.007526 BFGS: 507 15:20:48 -40.927785 0.007039 BFGS: 508 15:20:48 -40.927789 0.007410 BFGS: 509 15:20:48 -40.927794 0.006909 BFGS: 510 15:20:48 -40.927798 0.007301 BFGS: 511 15:20:48 -40.927802 0.006775 BFGS: 512 15:20:48 -40.927806 0.007198 BFGS: 513 15:20:48 -40.927810 0.006663 BFGS: 514 15:20:48 -40.927813 0.007095 BFGS: 515 15:20:48 -40.927817 0.006577 BFGS: 516 15:20:48 -40.927821 0.006987 BFGS: 517 15:20:48 -40.927824 0.006497 BFGS: 518 15:20:48 -40.927828 0.006875 BFGS: 519 15:20:48 -40.927831 0.006401 BFGS: 520 15:20:48 -40.927835 0.006764 BFGS: 521 15:20:48 -40.927838 0.006282 BFGS: 522 15:20:48 -40.927841 0.006658 BFGS: 523 15:20:48 -40.927845 0.006156 BFGS: 524 15:20:48 -40.927848 0.006559 BFGS: 525 15:20:48 -40.927851 0.006044 BFGS: 526 15:20:48 -40.927854 0.006461 BFGS: 527 15:20:48 -40.927857 0.005958 BFGS: 528 15:20:48 -40.927860 0.006359 BFGS: 529 15:20:48 -40.927863 0.005880 BFGS: 530 15:20:48 -40.927866 0.006253 BFGS: 531 15:20:48 -40.927868 0.005789 BFGS: 532 15:20:48 -40.927871 0.006147 BFGS: 533 15:20:48 -40.927874 0.005677 BFGS: 534 15:20:48 -40.927876 0.006046 BFGS: 535 15:20:48 -40.927879 0.005558 BFGS: 536 15:20:48 -40.927881 0.005952 BFGS: 537 15:20:48 -40.927884 0.005455 BFGS: 538 15:20:48 -40.927886 0.005858 BFGS: 539 15:20:48 -40.927889 0.005374 BFGS: 540 15:20:48 -40.927891 0.005760 BFGS: 541 15:20:48 -40.927894 0.005297 BFGS: 542 15:20:48 -40.927896 0.005660 BFGS: 543 15:20:48 -40.927898 0.005205 BFGS: 544 15:20:48 -40.927900 0.005560 BFGS: 545 15:20:48 -40.927902 0.005096 BFGS: 546 15:20:48 -40.927904 0.005466 BFGS: 547 15:20:48 -40.927907 0.004987 BFGS: 548 15:20:48 -40.927908 0.005377 BFGS: 549 15:20:48 -40.927911 0.004897 BFGS: 550 15:20:48 -40.927912 0.005287 BFGS: 551 15:20:48 -40.927914 0.004823 BFGS: 552 15:20:48 -40.927916 0.005192 BFGS: 553 15:20:48 -40.927918 0.004743 BFGS: 554 15:20:48 -40.927920 0.005096 BFGS: 555 15:20:48 -40.927922 0.004646 BFGS: 556 15:20:48 -40.927923 0.005005 BFGS: 557 15:20:48 -40.927925 0.004541 BFGS: 558 15:20:48 -40.927927 0.004918 BFGS: 559 15:20:48 -40.927928 0.004449 BFGS: 560 15:20:48 -40.927930 0.004834 BFGS: 561 15:20:48 -40.927932 0.004375 BFGS: 562 15:20:48 -40.927933 0.004745 BFGS: 563 15:20:48 -40.927935 0.004301 BFGS: 564 15:20:48 -40.927936 0.004654 BFGS: 565 15:20:48 -40.927938 0.004211 BFGS: 566 15:20:48 -40.927939 0.004566 BFGS: 567 15:20:48 -40.927941 0.004113 BFGS: 568 15:20:48 -40.927942 0.004484 BFGS: 569 15:20:48 -40.927943 0.004025 BFGS: 570 15:20:48 -40.927944 0.004403 BFGS: 571 15:20:48 -40.927946 0.003953 BFGS: 572 15:20:48 -40.927947 0.004320 BFGS: 573 15:20:48 -40.927948 0.003881 BFGS: 574 15:20:48 -40.927950 0.004234 BFGS: 575 15:20:48 -40.927951 0.003795 BFGS: 576 15:20:48 -40.927952 0.004151 BFGS: 577 15:20:48 -40.927953 0.003703 BFGS: 578 15:20:48 -40.927954 0.004074 BFGS: 579 15:20:48 -40.927955 0.003624 BFGS: 580 15:20:48 -40.927956 0.003997 BFGS: 581 15:20:48 -40.927957 0.003557 BFGS: 582 15:20:48 -40.927958 0.003868 BFGS: 583 15:20:48 -40.927959 0.003383 BFGS: 584 15:20:48 -40.927960 0.003764 BFGS: 585 15:20:48 -40.927961 0.003229 BFGS: 586 15:20:48 -40.927962 0.003575 BFGS: 587 15:20:48 -40.927963 0.002978 BFGS: 588 15:20:48 -40.927964 0.003399 BFGS: 589 15:20:48 -40.927965 0.002827 BFGS: 590 15:20:48 -40.927965 0.003203 BFGS: 591 15:20:48 -40.927966 0.002682 BFGS: 592 15:20:48 -40.927967 0.003000 BFGS: 593 15:20:48 -40.927967 0.002468 BFGS: 594 15:20:48 -40.927968 0.002826 BFGS: 595 15:20:48 -40.927968 0.002269 BFGS: 596 15:20:48 -40.927969 0.002677 BFGS: 597 15:20:48 -40.927969 0.002166 BFGS: 598 15:20:48 -40.927970 0.002515 BFGS: 599 15:20:48 -40.927970 0.002043 BFGS: 600 15:20:48 -40.927971 0.002377 BFGS: 601 15:20:48 -40.927971 0.001904 BFGS: 602 15:20:48 -40.927971 0.002289 BFGS: 603 15:20:48 -40.927972 0.001856 BFGS: 604 15:20:48 -40.927972 0.002209 BFGS: 605 15:20:48 -40.927972 0.001822 BFGS: 606 15:20:48 -40.927973 0.002152 BFGS: 607 15:20:48 -40.927973 0.001781 BFGS: 608 15:20:48 -40.927973 0.002143 BFGS: 609 15:20:48 -40.927973 0.001812 BFGS: 610 15:20:48 -40.927974 0.002143 BFGS: 611 15:20:48 -40.927974 0.001838 BFGS: 612 15:20:48 -40.927974 0.002166 BFGS: 613 15:20:48 -40.927974 0.001868 BFGS: 614 15:20:48 -40.927975 0.002211 BFGS: 615 15:20:48 -40.927975 0.001931 BFGS: 616 15:20:48 -40.927975 0.002253 BFGS: 617 15:20:48 -40.927975 0.001970 BFGS: 618 15:20:48 -40.927976 0.002299 BFGS: 619 15:20:48 -40.927976 0.002004 BFGS: 620 15:20:48 -40.927976 0.002344 BFGS: 621 15:20:48 -40.927977 0.002045 BFGS: 622 15:20:48 -40.927977 0.002369 BFGS: 623 15:20:48 -40.927977 0.002052 BFGS: 624 15:20:48 -40.927978 0.002386 BFGS: 625 15:20:48 -40.927978 0.002048 BFGS: 626 15:20:49 -40.927978 0.002387 BFGS: 627 15:20:49 -40.927978 0.002039 BFGS: 628 15:20:49 -40.927979 0.002364 BFGS: 629 15:20:49 -40.927979 0.001998 BFGS: 630 15:20:49 -40.927979 0.002329 BFGS: 631 15:20:49 -40.927980 0.001948 BFGS: 632 15:20:49 -40.927980 0.002282 BFGS: 633 15:20:49 -40.927980 0.001899 BFGS: 634 15:20:49 -40.927981 0.002221 BFGS: 635 15:20:49 -40.927981 0.001832 BFGS: 636 15:20:49 -40.927981 0.002160 BFGS: 637 15:20:49 -40.927981 0.001802 BFGS: 638 15:20:49 -40.927982 0.002150 BFGS: 639 15:20:49 -40.927982 0.001936 BFGS: 640 15:20:49 -40.927982 0.002194 BFGS: 641 15:20:49 -40.927982 0.002058 BFGS: 642 15:20:49 -40.927983 0.002270 BFGS: 643 15:20:49 -40.927983 0.002079 BFGS: 644 15:20:49 -40.927983 0.002311 BFGS: 645 15:20:49 -40.927984 0.001876 BFGS: 646 15:20:49 -40.927984 0.002306 BFGS: 647 15:20:49 -40.927984 0.001589 BFGS: 648 15:20:49 -40.927984 0.001669 BFGS: 649 15:20:49 -40.927985 0.001534 BFGS: 650 15:20:49 -40.927985 0.001590 BFGS: 651 15:20:49 -40.927985 0.001169 BFGS: 652 15:20:49 -40.927985 0.001660 BFGS: 653 15:20:49 -40.927986 0.000844 BFGS: 654 15:20:49 -40.927986 0.001342 BFGS: 655 15:20:49 -40.927986 0.002069 BFGS: 656 15:20:49 -40.927986 0.002919 BFGS: 657 15:20:49 -40.927986 0.003749 BFGS: 658 15:20:49 -40.927987 0.004349 BFGS: 659 15:20:49 -40.927987 0.004453 BFGS: 660 15:20:49 -40.927987 0.003630 BFGS: 661 15:20:49 -40.927988 0.000989 BFGS: 662 15:20:49 -40.927988 0.000214 BFGS: 663 15:20:49 -40.927988 0.000244 BFGS: 664 15:20:49 -40.927988 0.000762 BFGS: 665 15:20:49 -40.927988 0.000921 BFGS: 666 15:20:49 -40.927988 0.000955 BFGS: 667 15:20:49 -40.927988 0.002977 BFGS: 668 15:20:49 -40.927988 0.001766 BFGS: 669 15:20:49 -40.927988 0.000632 BFGS: 670 15:20:49 -40.927988 0.001151 BFGS: 671 15:20:49 -40.927988 0.000418 BFGS: 672 15:20:49 -40.927988 0.000227 BFGS: 673 15:20:49 -40.927988 0.000337 BFGS: 674 15:20:49 -40.927988 0.000917 BFGS: 675 15:20:49 -40.927989 0.001275 BFGS: 676 15:20:49 -40.927989 0.001030 BFGS: 677 15:20:49 -40.927989 0.001585 BFGS: 678 15:20:49 -40.927989 0.002292 BFGS: 679 15:20:49 -40.927989 0.001840 BFGS: 680 15:20:49 -40.927989 0.001022 BFGS: 681 15:20:49 -40.927989 0.001528 BFGS: 682 15:20:49 -40.927989 0.001503 BFGS: 683 15:20:49 -40.927989 0.000897 BFGS: 684 15:20:49 -40.927989 0.000477 BFGS: 685 15:20:49 -40.927989 0.000583 BFGS: 686 15:20:49 -40.927989 0.001070 BFGS: 687 15:20:49 -40.927989 0.000359 BFGS: 688 15:20:49 -40.927989 0.000260 BFGS: 689 15:20:49 -40.927989 0.001075 BFGS: 690 15:20:49 -40.927989 0.000762 BFGS: 691 15:20:49 -40.927989 0.000883 BFGS: 692 15:20:49 -40.927989 0.001256 BFGS: 693 15:20:49 -40.927989 0.000241 BFGS: 694 15:20:49 -40.927989 0.000355 BFGS: 695 15:20:49 -40.927989 0.000606 BFGS: 696 15:20:49 -40.927989 0.000970 BFGS: 697 15:20:49 -40.927989 0.001120 BFGS: 698 15:20:49 -40.927989 0.001048 BFGS: 699 15:20:49 -40.927989 0.000910 BFGS: 700 15:20:49 -40.927989 0.000609 BFGS: 701 15:20:49 -40.927989 0.001302 BFGS: 702 15:20:49 -40.927989 0.001243 BFGS: 703 15:20:49 -40.927989 0.000351 BFGS: 704 15:20:49 -40.927989 0.000875 BFGS: 705 15:20:49 -40.927989 0.000966 BFGS: 706 15:20:49 -40.927989 0.000213 BFGS: 707 15:20:49 -40.927989 0.000854 BFGS: 708 15:20:49 -40.927989 0.000313 BFGS: 709 15:20:49 -40.927989 0.000233 BFGS: 710 15:20:49 -40.927989 0.000235 BFGS: 711 15:20:49 -40.927989 0.000294 BFGS: 712 15:20:49 -40.927989 0.000392 BFGS: 713 15:20:49 -40.927989 0.000461 BFGS: 714 15:20:49 -40.927989 0.000447 BFGS: 715 15:20:49 -40.927990 0.000425 BFGS: 716 15:20:49 -40.927990 0.000334 BFGS: 717 15:20:49 -40.927990 0.000810 BFGS: 718 15:20:49 -40.927990 0.000477 BFGS: 719 15:20:49 -40.927990 0.000796 BFGS: 720 15:20:49 -40.927990 0.000170 BFGS: 721 15:20:49 -40.927990 0.000927 BFGS: 722 15:20:49 -40.927990 0.000244 BFGS: 723 15:20:49 -40.927990 0.000196 BFGS: 724 15:20:49 -40.927990 0.000343 BFGS: 725 15:20:49 -40.927990 0.000784 BFGS: 726 15:20:49 -40.927990 0.000962 BFGS: 727 15:20:49 -40.927990 0.000128 BFGS: 728 15:20:49 -40.927990 0.000640 BFGS: 729 15:20:49 -40.927990 0.001086 BFGS: 730 15:20:49 -40.927990 0.000716 BFGS: 731 15:20:49 -40.927990 0.000667 BFGS: 732 15:20:49 -40.927990 0.000185 BFGS: 733 15:20:49 -40.927990 0.000784 BFGS: 734 15:20:49 -40.927990 0.000928 BFGS: 735 15:20:49 -40.927990 0.000437 BFGS: 736 15:20:49 -40.927990 0.000792 BFGS: 737 15:20:49 -40.927990 0.000722 BFGS: 738 15:20:49 -40.927990 0.000737 BFGS: 739 15:20:49 -40.927990 0.000157 BFGS: 740 15:20:49 -40.927990 0.000350 BFGS: 741 15:20:49 -40.927990 0.000932 BFGS: 742 15:20:49 -40.927990 0.000755 BFGS: 743 15:20:49 -40.927990 0.000596 BFGS: 744 15:20:49 -40.927990 0.000381 BFGS: 745 15:20:49 -40.927990 0.000883 BFGS: 746 15:20:49 -40.927990 0.000803 BFGS: 747 15:20:49 -40.927990 0.000135 BFGS: 748 15:20:49 -40.927990 0.000618 BFGS: 749 15:20:49 -40.927990 0.000972 BFGS: 750 15:20:49 -40.927990 0.000813 BFGS: 751 15:20:49 -40.927990 0.000136 BFGS: 752 15:20:49 -40.927990 0.000624 BFGS: 753 15:20:49 -40.927990 0.000964 BFGS: 754 15:20:49 -40.927990 0.000845 BFGS: 755 15:20:49 -40.927990 0.000206 BFGS: 756 15:20:49 -40.927990 0.000692 BFGS: 757 15:20:49 -40.927990 0.000943 BFGS: 758 15:20:49 -40.927990 0.000461 BFGS: 759 15:20:49 -40.927990 0.000160 BFGS: 760 15:20:49 -40.927990 0.000260 BFGS: 761 15:20:49 -40.927990 0.000490 BFGS: 762 15:20:49 -40.927990 0.000086 BFGS: 763 15:20:49 -40.927990 0.000033 BFGS: 764 15:20:49 -40.927990 0.000029 BFGS: 765 15:20:50 -40.927990 0.000031 BFGS: 766 15:20:50 -40.927990 0.000033 BFGS: 767 15:20:50 -40.927990 0.000034 BFGS: 768 15:20:50 -40.927990 0.000037 BFGS: 769 15:20:50 -40.927990 0.000040 BFGS: 770 15:20:50 -40.927990 0.000046 BFGS: 771 15:20:50 -40.927990 0.000056 BFGS: 772 15:20:50 -40.927990 0.000077 BFGS: 773 15:20:50 -40.927990 0.000106 BFGS: 774 15:20:50 -40.927990 0.000123 BFGS: 775 15:20:50 -40.927990 0.000105 BFGS: 776 15:20:50 -40.927990 0.000235 BFGS: 777 15:20:50 -40.927990 0.000218 BFGS: 778 15:20:50 -40.927990 0.000416 BFGS: 779 15:20:50 -40.927990 0.000382 BFGS: 780 15:20:50 -40.927990 0.000301 BFGS: 781 15:20:50 -40.927990 0.000197 BFGS: 782 15:20:50 -40.927990 0.000190 BFGS: 783 15:20:50 -40.927990 0.000172 BFGS: 784 15:20:50 -40.927990 0.000335 BFGS: 785 15:20:50 -40.927990 0.000159 BFGS: 786 15:20:50 -40.927990 0.000372 BFGS: 787 15:20:50 -40.927990 0.000085 BFGS: 788 15:20:50 -40.927990 0.000244 BFGS: 789 15:20:50 -40.927990 0.000165 BFGS: 790 15:20:50 -40.927990 0.000192 BFGS: 791 15:20:50 -40.927990 0.000038 BFGS: 792 15:20:50 -40.927990 0.000286 BFGS: 793 15:20:50 -40.927990 0.000031 BFGS: 794 15:20:50 -40.927990 0.000030 BFGS: 795 15:20:50 -40.927990 0.000138 BFGS: 796 15:20:50 -40.927990 0.000031 BFGS: 797 15:20:50 -40.927990 0.000031 BFGS: 798 15:20:50 -40.927990 0.000032 BFGS: 799 15:20:50 -40.927990 0.000033 BFGS: 800 15:20:50 -40.927990 0.000036 BFGS: 801 15:20:50 -40.927990 0.000039 BFGS: 802 15:20:50 -40.927990 0.000043 BFGS: 803 15:20:50 -40.927990 0.000049 BFGS: 804 15:20:50 -40.927990 0.000053 BFGS: 805 15:20:50 -40.927990 0.000052 BFGS: 806 15:20:50 -40.927990 0.000034 BFGS: 807 15:20:50 -40.927990 0.000031 BFGS: 808 15:20:50 -40.927990 0.000033 BFGS: 809 15:20:50 -40.927990 0.000104 BFGS: 810 15:20:50 -40.927990 0.000236 BFGS: 811 15:20:50 -40.927990 0.000364 BFGS: 812 15:20:50 -40.927990 0.000430 BFGS: 813 15:20:50 -40.927990 0.000430 BFGS: 814 15:20:50 -40.927990 0.000438 BFGS: 815 15:20:50 -40.927990 0.000456 BFGS: 816 15:20:50 -40.927991 0.000489 BFGS: 817 15:20:50 -40.927991 0.000540 BFGS: 818 15:20:50 -40.927991 0.000624 BFGS: 819 15:20:50 -40.927991 0.000739 BFGS: 820 15:20:50 -40.927991 0.000879 BFGS: 821 15:20:50 -40.927991 0.001029 BFGS: 822 15:20:50 -40.927991 0.001180 BFGS: 823 15:20:50 -40.927991 0.001349 BFGS: 824 15:20:50 -40.927991 0.001578 BFGS: 825 15:20:50 -40.927991 0.001996 BFGS: 826 15:20:50 -40.927991 0.002341 BFGS: 827 15:20:50 -40.927991 0.002742 BFGS: 828 15:20:50 -40.927991 0.002061 BFGS: 829 15:20:50 -40.927991 0.001234 BFGS: 830 15:20:50 -40.927992 0.000829 BFGS: 831 15:20:50 -40.927992 0.001264 BFGS: 832 15:20:50 -40.927992 0.001698 BFGS: 833 15:20:50 -40.927993 0.002296 BFGS: 834 15:20:50 -40.927993 0.002574 BFGS: 835 15:20:50 -40.927994 0.001987 BFGS: 836 15:20:50 -40.927994 0.001451 BFGS: 837 15:20:50 -40.927994 0.000403 BFGS: 838 15:20:50 -40.927994 0.000174 BFGS: 839 15:20:50 -40.927995 0.001534 BFGS: 840 15:20:50 -40.927995 0.001928 BFGS: 841 15:20:50 -40.927995 0.001937 BFGS: 842 15:20:50 -40.927995 0.001796 BFGS: 843 15:20:50 -40.927995 0.001602 BFGS: 844 15:20:50 -40.927995 0.001392 BFGS: 845 15:20:50 -40.927995 0.001297 BFGS: 846 15:20:50 -40.927995 0.001197 BFGS: 847 15:20:50 -40.927996 0.001096 BFGS: 848 15:20:50 -40.927996 0.000994 BFGS: 849 15:20:50 -40.927996 0.000895 BFGS: 850 15:20:50 -40.927996 0.000798 BFGS: 851 15:20:50 -40.927996 0.000703 BFGS: 852 15:20:50 -40.927996 0.000597 BFGS: 853 15:20:50 -40.927996 0.000712 BFGS: 854 15:20:50 -40.927996 0.000934 BFGS: 855 15:20:50 -40.927997 0.001286 BFGS: 856 15:20:50 -40.927997 0.001535 BFGS: 857 15:20:50 -40.927997 0.001652 BFGS: 858 15:20:50 -40.927997 0.001338 BFGS: 859 15:20:50 -40.927997 0.001721 BFGS: 860 15:20:50 -40.927997 0.001605 BFGS: 861 15:20:50 -40.927997 0.001539 BFGS: 862 15:20:50 -40.927997 0.001482 BFGS: 863 15:20:50 -40.927997 0.001387 BFGS: 864 15:20:50 -40.927997 0.001364 BFGS: 865 15:20:50 -40.927997 0.001258 BFGS: 866 15:20:50 -40.927997 0.001224 BFGS: 867 15:20:50 -40.927998 0.001131 BFGS: 868 15:20:50 -40.927998 0.001080 BFGS: 869 15:20:50 -40.927998 0.000993 BFGS: 870 15:20:50 -40.927998 0.000941 BFGS: 871 15:20:50 -40.927998 0.000854 BFGS: 872 15:20:50 -40.927998 0.000814 BFGS: 873 15:20:50 -40.927998 0.000717 BFGS: 874 15:20:50 -40.927998 0.000713 BFGS: 875 15:20:50 -40.927998 0.000586 BFGS: 876 15:20:50 -40.927998 0.000631 BFGS: 877 15:20:50 -40.927998 0.000529 BFGS: 878 15:20:50 -40.927998 0.000543 BFGS: 879 15:20:50 -40.927998 0.000479 BFGS: 880 15:20:50 -40.927998 0.000474 BFGS: 881 15:20:50 -40.927998 0.000423 BFGS: 882 15:20:50 -40.927998 0.000418 BFGS: 883 15:20:50 -40.927998 0.000368 BFGS: 884 15:20:50 -40.927998 0.000374 BFGS: 885 15:20:50 -40.927998 0.000314 BFGS: 886 15:20:50 -40.927998 0.000349 BFGS: 887 15:20:50 -40.927998 0.000277 BFGS: 888 15:20:50 -40.927998 0.000330 BFGS: 889 15:20:50 -40.927998 0.000279 BFGS: 890 15:20:50 -40.927999 0.000310 BFGS: 891 15:20:50 -40.927999 0.000276 BFGS: 892 15:20:50 -40.927999 0.000299 BFGS: 893 15:20:50 -40.927999 0.000264 BFGS: 894 15:20:50 -40.927999 0.000294 BFGS: 895 15:20:50 -40.927999 0.000246 BFGS: 896 15:20:50 -40.927999 0.000300 BFGS: 897 15:20:50 -40.927999 0.000235 BFGS: 898 15:20:50 -40.927999 0.000307 BFGS: 899 15:20:50 -40.927999 0.000259 BFGS: 900 15:20:50 -40.927999 0.000304 BFGS: 901 15:20:50 -40.927999 0.000293 BFGS: 902 15:20:50 -40.927999 0.000297 BFGS: 903 15:20:50 -40.927999 0.000314 BFGS: 904 15:20:50 -40.927999 0.000288 BFGS: 905 15:20:50 -40.927999 0.000302 BFGS: 906 15:20:50 -40.927999 0.000269 BFGS: 907 15:20:50 -40.927999 0.000289 BFGS: 908 15:20:50 -40.927999 0.000232 BFGS: 909 15:20:51 -40.927999 0.000311 BFGS: 910 15:20:51 -40.927999 0.000228 BFGS: 911 15:20:51 -40.927999 0.000312 BFGS: 912 15:20:51 -40.927999 0.000298 BFGS: 913 15:20:51 -40.927999 0.000317 BFGS: 914 15:20:51 -40.927999 0.000310 BFGS: 915 15:20:51 -40.927999 0.000314 BFGS: 916 15:20:51 -40.927999 0.000299 BFGS: 917 15:20:51 -40.927999 0.000305 BFGS: 918 15:20:51 -40.927999 0.000270 BFGS: 919 15:20:51 -40.927999 0.000312 BFGS: 920 15:20:51 -40.927999 0.000241 BFGS: 921 15:20:51 -40.927999 0.000326 BFGS: 922 15:20:51 -40.927999 0.000304 BFGS: 923 15:20:51 -40.927999 0.000322 BFGS: 924 15:20:51 -40.927999 0.000306 BFGS: 925 15:20:51 -40.927999 0.000309 BFGS: 926 15:20:51 -40.927999 0.000285 BFGS: 927 15:20:51 -40.927999 0.000293 BFGS: 928 15:20:51 -40.927999 0.000245 BFGS: 929 15:20:51 -40.927999 0.000306 BFGS: 930 15:20:51 -40.927999 0.000227 BFGS: 931 15:20:51 -40.927999 0.000312 BFGS: 932 15:20:51 -40.927999 0.000296 BFGS: 933 15:20:51 -40.927999 0.000309 BFGS: 934 15:20:51 -40.927999 0.000294 BFGS: 935 15:20:51 -40.927999 0.000294 BFGS: 936 15:20:51 -40.927999 0.000268 BFGS: 937 15:20:51 -40.927999 0.000278 BFGS: 938 15:20:51 -40.927999 0.000217 BFGS: 939 15:20:51 -40.927999 0.000310 BFGS: 940 15:20:51 -40.927999 0.000260 BFGS: 941 15:20:51 -40.927999 0.000302 BFGS: 942 15:20:51 -40.927999 0.000270 BFGS: 943 15:20:51 -40.927999 0.000290 BFGS: 944 15:20:51 -40.927999 0.000247 BFGS: 945 15:20:51 -40.927999 0.000286 BFGS: 946 15:20:51 -40.927999 0.000216 BFGS: 947 15:20:51 -40.928000 0.000300 BFGS: 948 15:20:51 -40.928000 0.000262 BFGS: 949 15:20:51 -40.928000 0.000287 BFGS: 950 15:20:51 -40.928000 0.000246 BFGS: 951 15:20:51 -40.928000 0.000274 BFGS: 952 15:20:51 -40.928000 0.000197 BFGS: 953 15:20:51 -40.928000 0.000295 BFGS: 954 15:20:51 -40.928000 0.000238 BFGS: 955 15:20:51 -40.928000 0.000271 BFGS: 956 15:20:51 -40.928000 0.000188 BFGS: 957 15:20:51 -40.928000 0.000273 BFGS: 958 15:20:51 -40.928000 0.000147 BFGS: 959 15:20:51 -40.928000 0.000248 BFGS: 960 15:20:51 -40.928000 0.000099 BFGS: 961 15:20:51 -40.928000 0.000133 BFGS: 962 15:20:51 -40.928000 0.000164 BFGS: 963 15:20:51 -40.928000 0.000209 BFGS: 964 15:20:51 -40.928000 0.000253 BFGS: 965 15:20:51 -40.928000 0.000289 BFGS: 966 15:20:51 -40.928000 0.000308 BFGS: 967 15:20:51 -40.928000 0.000303 BFGS: 968 15:20:51 -40.928000 0.000289 BFGS: 969 15:20:51 -40.928000 0.000259 BFGS: 970 15:20:51 -40.928000 0.000269 BFGS: 971 15:20:51 -40.928000 0.000024 BFGS: 972 15:20:51 -40.928000 0.000185 BFGS: 973 15:20:51 -40.928000 0.000274 BFGS: 974 15:20:51 -40.928000 0.000298 BFGS: 975 15:20:51 -40.928000 0.000237 BFGS: 976 15:20:51 -40.928000 0.000172 BFGS: 977 15:20:51 -40.928000 0.000171 BFGS: 978 15:20:51 -40.928000 0.000031 BFGS: 979 15:20:51 -40.928000 0.000167 BFGS: 980 15:20:51 -40.928000 0.000210 BFGS: 981 15:20:51 -40.928000 0.000172 BFGS: 982 15:20:51 -40.928000 0.000126 BFGS: 983 15:20:51 -40.928000 0.000200 BFGS: 984 15:20:51 -40.928000 0.000184 BFGS: 985 15:20:51 -40.928000 0.000161 BFGS: 986 15:20:51 -40.928000 0.000153 BFGS: 987 15:20:51 -40.928000 0.000078 BFGS: 988 15:20:51 -40.928000 0.000239 BFGS: 989 15:20:51 -40.928000 0.000262 BFGS: 990 15:20:51 -40.928000 0.000230 BFGS: 991 15:20:51 -40.928000 0.000187 BFGS: 992 15:20:51 -40.928000 0.000162 BFGS: 993 15:20:51 -40.928000 0.000133 BFGS: 994 15:20:51 -40.928000 0.000112 BFGS: 995 15:20:51 -40.928000 0.000178 BFGS: 996 15:20:51 -40.928000 0.000029 BFGS: 997 15:20:51 -40.928000 0.000221 BFGS: 998 15:20:51 -40.928000 0.000177 BFGS: 999 15:20:51 -40.928000 0.000074 BFGS: 1000 15:20:51 -40.928000 0.000233 BFGS: 1001 15:20:51 -40.928000 0.000232 BFGS: 1002 15:20:51 -40.928000 0.000253 BFGS: 1003 15:20:51 -40.928000 0.000146 BFGS: 1004 15:20:51 -40.928000 0.000161 BFGS: 1005 15:20:51 -40.928000 0.000247 BFGS: 1006 15:20:51 -40.928000 0.000179 BFGS: 1007 15:20:51 -40.928000 0.000315 BFGS: 1008 15:20:51 -40.928000 0.000216 BFGS: 1009 15:20:51 -40.928000 0.000113 BFGS: 1010 15:20:51 -40.928000 0.000263 BFGS: 1011 15:20:51 -40.928000 0.000194 BFGS: 1012 15:20:51 -40.928000 0.000137 BFGS: 1013 15:20:51 -40.928000 0.000083 BFGS: 1014 15:20:51 -40.928000 0.000231 BFGS: 1015 15:20:51 -40.928000 0.000223 BFGS: 1016 15:20:51 -40.928000 0.000112 BFGS: 1017 15:20:51 -40.928000 0.000159 BFGS: 1018 15:20:51 -40.928000 0.000244 BFGS: 1019 15:20:51 -40.928000 0.000201 BFGS: 1020 15:20:51 -40.928000 0.000310 BFGS: 1021 15:20:51 -40.928000 0.000320 BFGS: 1022 15:20:51 -40.928000 0.000211 BFGS: 1023 15:20:51 -40.928000 0.000206 BFGS: 1024 15:20:51 -40.928000 0.000177 BFGS: 1025 15:20:51 -40.928000 0.000238 BFGS: 1026 15:20:51 -40.928000 0.000203 BFGS: 1027 15:20:51 -40.928000 0.000117 BFGS: 1028 15:20:51 -40.928000 0.000077 BFGS: 1029 15:20:51 -40.928000 0.000144 BFGS: 1030 15:20:51 -40.928000 0.000142 BFGS: 1031 15:20:51 -40.928000 0.000077 BFGS: 1032 15:20:51 -40.928000 0.000128 BFGS: 1033 15:20:51 -40.928000 0.000211 BFGS: 1034 15:20:51 -40.928000 0.000050 BFGS: 1035 15:20:51 -40.928000 0.000030 BFGS: 1036 15:20:51 -40.928000 0.000060 BFGS: 1037 15:20:51 -40.928000 0.000086 BFGS: 1038 15:20:51 -40.928000 0.000160 BFGS: 1039 15:20:51 -40.928000 0.000068 BFGS: 1040 15:20:51 -40.928000 0.000094 BFGS: 1041 15:20:51 -40.928000 0.000074 BFGS: 1042 15:20:51 -40.928000 0.000088 BFGS: 1043 15:20:51 -40.928000 0.000207 BFGS: 1044 15:20:51 -40.928000 0.000062 BFGS: 1045 15:20:51 -40.928000 0.000117 BFGS: 1046 15:20:51 -40.928000 0.000172 BFGS: 1047 15:20:51 -40.928000 0.000257 BFGS: 1048 15:20:51 -40.928000 0.000194 BFGS: 1049 15:20:51 -40.928000 0.000217 BFGS: 1050 15:20:51 -40.928000 0.000067 BFGS: 1051 15:20:51 -40.928000 0.000027 BFGS: 1052 15:20:51 -40.928000 0.000138 BFGS: 1053 15:20:51 -40.928000 0.000126 BFGS: 1054 15:20:51 -40.928000 0.000140 BFGS: 1055 15:20:51 -40.928000 0.000057 BFGS: 1056 15:20:51 -40.928000 0.000152 BFGS: 1057 15:20:51 -40.928000 0.000219 BFGS: 1058 15:20:51 -40.928000 0.000015 BFGS: 1059 15:20:51 -40.928000 0.000020 BFGS: 1060 15:20:51 -40.928000 0.000033 BFGS: 1061 15:20:52 -40.928000 0.000027 BFGS: 1062 15:20:52 -40.928000 0.000018 BFGS: 1063 15:20:52 -40.928000 0.000020 BFGS: 1064 15:20:52 -40.928000 0.000071 BFGS: 1065 15:20:52 -40.928000 0.000033 BFGS: 1066 15:20:52 -40.928000 0.000021 BFGS: 1067 15:20:52 -40.928000 0.000125 BFGS: 1068 15:20:52 -40.928000 0.000018 BFGS: 1069 15:20:52 -40.928000 0.000039 BFGS: 1070 15:20:52 -40.928000 0.000057 BFGS: 1071 15:20:52 -40.928000 0.000077 BFGS: 1072 15:20:52 -40.928000 0.000043 BFGS: 1073 15:20:52 -40.928000 0.000042 BFGS: 1074 15:20:52 -40.928000 0.000104 BFGS: 1075 15:20:52 -40.928000 0.000042 BFGS: 1076 15:20:52 -40.928000 0.000118 BFGS: 1077 15:20:52 -40.928000 0.000025 BFGS: 1078 15:20:52 -40.928000 0.000039 BFGS: 1079 15:20:52 -40.928000 0.000126 BFGS: 1080 15:20:52 -40.928000 0.000024 BFGS: 1081 15:20:52 -40.928000 0.000018 BFGS: 1082 15:20:52 -40.928000 0.000099 BFGS: 1083 15:20:52 -40.928000 0.000024 BFGS: 1084 15:20:52 -40.928000 0.000035 BFGS: 1085 15:20:52 -40.928000 0.000146 BFGS: 1086 15:20:52 -40.928000 0.000071 BFGS: 1087 15:20:52 -40.928000 0.000111 BFGS: 1088 15:20:52 -40.928000 0.000242 BFGS: 1089 15:20:52 -40.928000 0.000116 BFGS: 1090 15:20:52 -40.928000 0.000105 BFGS: 1091 15:20:52 -40.928000 0.000034 BFGS: 1092 15:20:52 -40.928000 0.000010 BFGS: 1093 15:20:52 -40.928000 0.000001 BFGS: 1094 15:20:52 -40.928000 0.000000 BFGS: 1095 15:20:52 -40.928000 0.000000 BFGS: 1096 15:20:52 -40.928000 0.000000 Minimization converged after 1096 steps. Maximum force component: 5.70666541246765e-10 eV/Angstrom Maximum stress component: 1.5902999384696556e-12 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'] basis = [[5.78580187e-01 0.00000000e+00 3.78426334e-01] [4.21419813e-01 1.00000000e+00 6.21573666e-01] [7.85801869e-02 5.00000000e-01 3.78426334e-01] [9.21419813e-01 5.00000000e-01 6.21573666e-01] [7.34635541e-01 4.14887310e-18 5.13536606e-01] [2.65364459e-01 1.00000000e+00 4.86463394e-01] [2.34635541e-01 5.00000000e-01 5.13536606e-01] [7.65364459e-01 5.00000000e-01 4.86463394e-01] [9.21972407e-01 6.89791938e-01 9.32445048e-01] [7.80275926e-02 6.89791938e-01 6.75549519e-02] [4.21972407e-01 1.89791938e-01 9.32445048e-01] [5.78027593e-01 1.89791938e-01 6.75549519e-02] [7.80275926e-02 3.10208062e-01 6.75549519e-02] [9.21972407e-01 3.10208062e-01 9.32445048e-01] [5.78027593e-01 8.10208062e-01 6.75549519e-02] [4.21972407e-01 8.10208062e-01 9.32445048e-01]] cellpar = Cell([[18.37579562485779, 1.1329797227617035e-14, -6.994179878403855], [1.5995118410869793e-14, 16.336860950965608, 3.3507279861674766e-14], [-13.34474099231469, 1.2422429526467398e-14, 12.334462981277623]]) forces = [[ 5.70666541e-10 1.84739077e-24 3.08231454e-10] [-5.70666541e-10 -1.84739077e-24 -3.08231454e-10] [ 5.70666541e-10 1.84739077e-24 3.08231454e-10] [-5.70666541e-10 -1.84739077e-24 -3.08231454e-10] [-5.70666541e-10 -1.84739077e-24 -3.08231454e-10] [ 5.70666541e-10 1.84739077e-24 3.08231454e-10] [-5.70666541e-10 -1.84739077e-24 -3.08231454e-10] [ 5.70666541e-10 1.84739077e-24 3.08231454e-10] [ 2.42696369e-10 7.85666237e-25 1.31085473e-10] [-2.42696369e-10 -7.85666237e-25 -1.31085473e-10] [ 2.42696369e-10 7.85666237e-25 1.31085473e-10] [-2.42696369e-10 -7.85666237e-25 -1.31085473e-10] [-2.42696369e-10 -7.85666237e-25 -1.31085473e-10] [ 2.42696369e-10 7.85666237e-25 1.31085473e-10] [-2.42696369e-10 -7.85666237e-25 -1.31085473e-10] [ 2.42696369e-10 7.85666237e-25 1.31085473e-10]] stress = [ 1.59029994e-12 3.26150303e-40 4.63944602e-13 -1.88573455e-27 8.58959336e-13 -3.49129880e-27] energy per atom = -2.557999990089479 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0