element(s): ['N', 'O'] AFLOW prototype label: AB2_mP12_11_2e_2ef Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'y5', 'z5'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.8376', '1.0021584', '0.94585103', '104.9201', '0.9324253', '0.085002991', '0.24040646', '0.48550579', '0.75463634', '0.13178901', '0.35004723', '0.70827687', '0.8213786', '0.93760542', '0.63517086'] model name: Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['N', 'N', 'O', 'O', 'O'] representative atom coordinates = [[0.91499701 0.25 0.9324253 ] [0.51449421 0.25 0.24040646] [0.86821099 0.25 0.75463634] [0.29172313 0.25 0.35004723] [0.36482914 0.93760542 0.8213786 ]] spacegroup = 11 cell = [[5.5215, 0, 0], [0, 5.8502, 0], [1.5030173379858, 0, 5.6407900724734]] ========================================= Step Time Energy fmax BFGS: 0 13:21:31 -39.807490 3.593911 BFGS: 1 13:21:31 -39.547776 3.118887 BFGS: 2 13:21:31 -39.415788 4.550413 BFGS: 3 13:21:31 -39.565139 19.500518 BFGS: 4 13:21:31 -39.547583 10.507064 BFGS: 5 13:21:31 -38.278203 19.357449 BFGS: 6 13:21:31 -40.014205 0.728516 BFGS: 7 13:21:31 -40.033401 1.234210 BFGS: 8 13:21:31 -40.118980 3.715889 BFGS: 9 13:21:32 -39.799414 9.579176 BFGS: 10 13:21:32 -40.281943 4.078396 BFGS: 11 13:21:32 -40.274641 5.888339 BFGS: 12 13:21:32 -40.315841 0.469493 BFGS: 13 13:21:32 -40.326174 0.685956 BFGS: 14 13:21:32 -40.344704 0.960672 BFGS: 15 13:21:32 -40.355146 0.362133 BFGS: 16 13:21:32 -40.364737 1.639420 BFGS: 17 13:21:32 -40.372800 1.729398 BFGS: 18 13:21:32 -40.383608 0.380777 BFGS: 19 13:21:32 -40.386860 0.446087 BFGS: 20 13:21:32 -40.392203 0.645296 BFGS: 21 13:21:32 -40.395763 0.539545 BFGS: 22 13:21:32 -40.404541 1.318547 BFGS: 23 13:21:32 -40.415301 1.192941 BFGS: 24 13:21:32 -40.434254 1.956033 BFGS: 25 13:21:32 -40.450925 0.859937 BFGS: 26 13:21:32 -40.455790 0.845417 BFGS: 27 13:21:32 -40.458868 0.707656 BFGS: 28 13:21:32 -40.460966 0.671987 BFGS: 29 13:21:32 -40.466233 0.740458 BFGS: 30 13:21:32 -40.474735 0.830863 BFGS: 31 13:21:32 -40.483649 0.852250 BFGS: 32 13:21:32 -40.492953 0.836992 BFGS: 33 13:21:32 -40.502134 0.802023 BFGS: 34 13:21:32 -40.510683 0.757837 BFGS: 35 13:21:32 -40.518226 0.711211 BFGS: 36 13:21:32 -40.524565 0.666327 BFGS: 37 13:21:32 -40.529656 0.625602 BFGS: 38 13:21:32 -40.533566 0.590377 BFGS: 39 13:21:32 -40.536426 0.585323 BFGS: 40 13:21:32 -40.538402 0.599722 BFGS: 41 13:21:32 -40.539684 0.614485 BFGS: 42 13:21:32 -40.540487 0.626441 BFGS: 43 13:21:32 -40.541054 0.630284 BFGS: 44 13:21:32 -40.541821 0.625020 BFGS: 45 13:21:32 -40.543159 0.608968 BFGS: 46 13:21:32 -40.545190 0.603569 BFGS: 47 13:21:32 -40.548170 0.638117 BFGS: 48 13:21:32 -40.552174 0.669211 BFGS: 49 13:21:32 -40.557297 0.694308 BFGS: 50 13:21:32 -40.563665 0.713065 BFGS: 51 13:21:32 -40.570825 0.720700 BFGS: 52 13:21:32 -40.576766 0.706255 BFGS: 53 13:21:32 -40.583575 0.709525 BFGS: 54 13:21:32 -40.592984 0.692028 BFGS: 55 13:21:32 -40.602752 0.692229 BFGS: 56 13:21:32 -40.611609 0.630106 BFGS: 57 13:21:32 -40.618409 0.601034 BFGS: 58 13:21:32 -40.623063 0.521516 BFGS: 59 13:21:32 -40.624857 0.450287 BFGS: 60 13:21:32 -40.625125 0.434375 BFGS: 61 13:21:32 -40.625663 0.475919 BFGS: 62 13:21:32 -40.625863 0.479451 BFGS: 63 13:21:32 -40.626378 0.472956 BFGS: 64 13:21:32 -40.627270 0.451434 BFGS: 65 13:21:32 -40.628973 0.414233 BFGS: 66 13:21:32 -40.631379 0.371633 BFGS: 67 13:21:32 -40.634514 0.326508 BFGS: 68 13:21:32 -40.638304 0.280453 BFGS: 69 13:21:32 -40.642559 0.330745 BFGS: 70 13:21:32 -40.646984 0.341052 BFGS: 71 13:21:32 -40.651446 0.291718 BFGS: 72 13:21:33 -40.655894 0.265907 BFGS: 73 13:21:33 -40.659861 0.209184 BFGS: 74 13:21:33 -40.663475 0.155506 BFGS: 75 13:21:33 -40.667136 0.116786 BFGS: 76 13:21:33 -40.672292 0.079729 BFGS: 77 13:21:33 -40.663085 0.135086 BFGS: 78 13:21:33 -40.674183 0.103882 BFGS: 79 13:21:33 -40.667457 0.109602 BFGS: 80 13:21:33 -40.669885 0.100670 BFGS: 81 13:21:33 -40.662699 0.264811 BFGS: 82 13:21:33 -40.673689 0.101284 BFGS: 83 13:21:33 -40.673522 0.083808 BFGS: 84 13:21:33 -40.675902 0.078385 BFGS: 85 13:21:33 -40.666651 0.080439 BFGS: 86 13:21:33 -40.669096 0.075291 BFGS: 87 13:21:33 -40.664158 0.239849 BFGS: 88 13:21:33 -40.672690 0.080796 BFGS: 89 13:21:33 -40.675591 0.083304 BFGS: 90 13:21:33 -40.677820 0.059765 BFGS: 91 13:21:33 -40.669536 0.073360 BFGS: 92 13:21:33 -40.671465 0.075403 BFGS: 93 13:21:33 -40.659165 0.230531 BFGS: 94 13:21:33 -40.677000 0.082763 BFGS: 95 13:21:33 -40.665850 0.123657 BFGS: 96 13:21:33 -40.668559 0.062953 BFGS: 97 13:21:33 -40.669338 0.142002 BFGS: 98 13:21:33 -40.671730 0.095860 BFGS: 99 13:21:33 -40.674661 0.110327 BFGS: 100 13:21:33 -40.654770 0.190348 BFGS: 101 13:21:33 -40.673688 0.115870 BFGS: 102 13:21:33 -40.666396 0.143684 BFGS: 103 13:21:33 -40.669648 0.062458 BFGS: 104 13:21:33 -40.672053 0.717422 BFGS: 105 13:21:33 -40.662793 1.928533 BFGS: 106 13:21:33 -40.678470 0.110811 BFGS: 107 13:21:33 -40.671840 0.418498 BFGS: 108 13:21:33 -40.674199 0.150226 BFGS: 109 13:21:33 -40.676122 0.367157 BFGS: 110 13:21:33 -40.678990 0.245761 BFGS: 111 13:21:33 -40.671744 0.126750 BFGS: 112 13:21:33 -40.673892 0.070202 BFGS: 113 13:21:33 -40.666090 0.403372 BFGS: 114 13:21:33 -40.678366 0.225748 BFGS: 115 13:21:33 -40.669277 0.122545 BFGS: 116 13:21:33 -40.672776 0.075750 BFGS: 117 13:21:33 -40.667901 0.255178 BFGS: 118 13:21:33 -40.676331 0.181400 BFGS: 119 13:21:33 -40.677104 0.068224 BFGS: 120 13:21:33 -40.678899 0.102574 BFGS: 121 13:21:33 -40.669733 0.093752 BFGS: 122 13:21:33 -40.673071 0.083956 BFGS: 123 13:21:33 -40.667163 0.157993 BFGS: 124 13:21:33 -40.676590 0.121428 BFGS: 125 13:21:33 -40.677935 0.077140 BFGS: 126 13:21:33 -40.679810 0.070648 BFGS: 127 13:21:33 -40.670264 0.089941 BFGS: 128 13:21:33 -40.673423 0.076556 BFGS: 129 13:21:33 -40.671125 0.143600 BFGS: 130 13:21:33 -40.676619 0.074662 BFGS: 131 13:21:33 -40.679694 0.087594 BFGS: 132 13:21:33 -40.681294 0.075702 BFGS: 133 13:21:33 -40.673799 0.067907 BFGS: 134 13:21:33 -40.675564 0.058617 BFGS: 135 13:21:33 -40.664405 0.238071 BFGS: 136 13:21:33 -40.679929 0.339515 BFGS: 137 13:21:33 -40.667476 0.210061 BFGS: 138 13:21:34 -40.671907 0.107173 BFGS: 139 13:21:34 -40.674230 0.274040 BFGS: 140 13:21:34 -40.675153 0.071102 BFGS: 141 13:21:34 -40.677798 0.097492 BFGS: 142 13:21:34 -40.658351 0.174586 BFGS: 143 13:21:34 -40.679737 0.134601 BFGS: 144 13:21:34 -40.671141 0.097068 BFGS: 145 13:21:34 -40.674548 0.063513 BFGS: 146 13:21:34 -40.668743 0.156788 BFGS: 147 13:21:34 -40.678887 0.062863 BFGS: 148 13:21:34 -40.681568 0.135967 BFGS: 149 13:21:34 -40.683948 0.102693 BFGS: 150 13:21:34 -40.673838 0.102277 BFGS: 151 13:21:34 -40.676312 0.064724 BFGS: 152 13:21:34 -40.669364 0.201068 BFGS: 153 13:21:34 -40.680464 0.064438 BFGS: 154 13:21:34 -40.682728 0.150988 BFGS: 155 13:21:34 -40.685206 0.119983 BFGS: 156 13:21:34 -40.675005 0.092459 BFGS: 157 13:21:34 -40.677300 0.072209 BFGS: 158 13:21:34 -40.673865 0.194410 BFGS: 159 13:21:34 -40.681077 0.074530 BFGS: 160 13:21:34 -40.686675 0.148842 BFGS: 161 13:21:34 -40.683045 0.065552 BFGS: 162 13:21:34 -40.684092 0.067433 BFGS: 163 13:21:34 -40.682555 0.206448 BFGS: 164 13:21:34 -40.686955 0.171874 BFGS: 165 13:21:34 -40.678452 0.087827 BFGS: 166 13:21:34 -40.683876 0.086689 BFGS: 167 13:21:34 -40.685682 0.242789 BFGS: 168 13:21:34 -40.693296 0.194752 BFGS: 169 13:21:34 -40.682725 0.128961 BFGS: 170 13:21:34 -40.686334 0.162990 BFGS: 171 13:21:34 -40.691356 0.248450 BFGS: 172 13:21:34 -40.692542 0.377784 BFGS: 173 13:21:34 -40.696017 0.399842 BFGS: 174 13:21:34 -40.695958 0.565510 BFGS: 175 13:21:34 -40.698773 0.160873 BFGS: 176 13:21:34 -40.691832 0.368561 BFGS: 177 13:21:34 -40.696341 0.187368 BFGS: 178 13:21:34 -40.695341 0.474328 BFGS: 179 13:21:34 -40.700291 0.165663 BFGS: 180 13:21:34 -40.691460 0.412043 BFGS: 181 13:21:34 -40.696402 0.280811 BFGS: 182 13:21:34 -40.695988 0.368163 BFGS: 183 13:21:34 -40.701937 0.172013 BFGS: 184 13:21:34 -40.692111 0.427556 BFGS: 185 13:21:34 -40.696891 0.300491 BFGS: 186 13:21:34 -40.696429 0.340861 BFGS: 187 13:21:34 -40.703235 0.178782 BFGS: 188 13:21:34 -40.692881 0.429227 BFGS: 189 13:21:34 -40.697492 0.304191 BFGS: 190 13:21:34 -40.696721 0.333115 BFGS: 191 13:21:34 -40.704401 0.183962 BFGS: 192 13:21:34 -40.693708 0.423232 BFGS: 193 13:21:34 -40.698133 0.301597 BFGS: 194 13:21:34 -40.697301 0.319238 BFGS: 195 13:21:34 -40.705514 0.187522 BFGS: 196 13:21:34 -40.694732 0.410053 BFGS: 197 13:21:34 -40.698881 0.293196 BFGS: 198 13:21:34 -40.697620 0.317477 BFGS: 199 13:21:34 -40.706460 0.190562 BFGS: 200 13:21:34 -40.695974 0.389258 BFGS: 201 13:21:34 -40.699799 0.278946 BFGS: 202 13:21:34 -40.697555 0.325653 BFGS: 203 13:21:34 -40.707177 0.193673 BFGS: 204 13:21:35 -40.696370 0.391540 BFGS: 205 13:21:35 -40.700276 0.279530 BFGS: 206 13:21:35 -40.698141 0.316415 BFGS: 207 13:21:35 -40.704394 0.197305 BFGS: 208 13:21:35 -40.705535 0.203860 BFGS: 209 13:21:35 -40.707321 0.200337 BFGS: 210 13:21:35 -40.696709 0.457527 BFGS: 211 13:21:35 -40.700685 0.311472 BFGS: 212 13:21:35 -40.697464 0.318245 BFGS: 213 13:21:35 -40.704525 0.199108 BFGS: 214 13:21:35 -40.707548 0.201692 BFGS: 215 13:21:35 -40.705910 0.199190 BFGS: 216 13:21:35 -40.708998 0.199935 BFGS: 217 13:21:35 -40.709541 0.200279 BFGS: 218 13:21:35 -40.705855 0.246998 BFGS: 219 13:21:35 -40.706392 0.209666 BFGS: 220 13:21:35 -40.694499 0.814605 BFGS: 221 13:21:35 -40.709597 0.214453 BFGS: 222 13:21:35 -40.700272 0.678614 BFGS: 223 13:21:35 -40.705209 0.360670 BFGS: 224 13:21:35 -40.694423 0.894746 BFGS: 225 13:21:35 -40.709760 0.206892 BFGS: 226 13:21:35 -40.710088 0.199362 BFGS: 227 13:21:35 -40.712580 0.200350 BFGS: 228 13:21:35 -40.702886 0.580471 BFGS: 229 13:21:35 -40.706477 0.342789 BFGS: 230 13:21:35 -40.696670 0.562535 BFGS: 231 13:21:35 -40.710206 0.204614 BFGS: 232 13:21:35 -40.713099 0.189286 BFGS: 233 13:21:35 -40.711488 0.193029 BFGS: 234 13:21:35 -40.715017 0.190870 BFGS: 235 13:21:35 -40.712354 0.192094 BFGS: 236 13:21:35 -40.713493 0.190367 BFGS: 237 13:21:35 -40.714933 0.187670 BFGS: 238 13:21:35 -40.716420 0.183349 BFGS: 239 13:21:35 -40.717981 0.182032 BFGS: 240 13:21:35 -40.719640 0.191898 BFGS: 241 13:21:35 -40.721414 0.197657 BFGS: 242 13:21:35 -40.723298 0.195011 BFGS: 243 13:21:35 -40.725224 0.220824 BFGS: 244 13:21:35 -40.726951 0.296599 BFGS: 245 13:21:35 -40.727777 0.324359 BFGS: 246 13:21:35 -40.729280 0.341169 BFGS: 247 13:21:35 -40.731413 0.322030 BFGS: 248 13:21:35 -40.736580 0.342666 BFGS: 249 13:21:35 -40.737378 0.308849 BFGS: 250 13:21:35 -40.735081 0.222699 BFGS: 251 13:21:35 -40.738795 0.174758 BFGS: 252 13:21:35 -40.739281 0.120669 BFGS: 253 13:21:35 -40.739757 0.174760 BFGS: 254 13:21:35 -40.737196 0.292349 BFGS: 255 13:21:35 -40.737959 0.444432 BFGS: 256 13:21:35 -40.745373 1.657204 BFGS: 257 13:21:35 -40.759357 2.024991 BFGS: 258 13:21:35 -40.748655 4.821790 BFGS: 259 13:21:35 -40.765960 1.940122 BFGS: 260 13:21:35 -40.769770 1.783575 BFGS: 261 13:21:35 -40.775894 0.232812 BFGS: 262 13:21:36 -40.776898 0.613521 BFGS: 263 13:21:36 -40.780615 0.710878 BFGS: 264 13:21:36 -40.778045 0.545799 BFGS: 265 13:21:36 -40.781541 0.353611 BFGS: 266 13:21:36 -40.781842 0.440504 BFGS: 267 13:21:36 -40.779019 0.510254 BFGS: 268 13:21:36 -40.779314 0.417757 BFGS: 269 13:21:36 -40.782378 0.321565 BFGS: 270 13:21:36 -40.783133 0.288295 BFGS: 271 13:21:36 -40.783758 0.549440 BFGS: 272 13:21:36 -40.784510 0.733154 BFGS: 273 13:21:36 -40.786101 0.916344 BFGS: 274 13:21:36 -40.788057 0.903932 BFGS: 275 13:21:36 -40.790397 0.570796 BFGS: 276 13:21:36 -40.792298 0.427996 BFGS: 277 13:21:36 -40.793851 0.504327 BFGS: 278 13:21:36 -40.792971 0.251510 BFGS: 279 13:21:36 -40.796702 0.292328 BFGS: 280 13:21:36 -40.793945 0.220924 BFGS: 281 13:21:36 -40.794097 0.214625 BFGS: 282 13:21:36 -40.797195 0.243232 BFGS: 283 13:21:36 -40.794346 0.184642 BFGS: 284 13:21:36 -40.794434 0.185869 BFGS: 285 13:21:36 -40.797264 0.270874 BFGS: 286 13:21:36 -40.797404 0.265732 BFGS: 287 13:21:36 -40.794264 0.219537 BFGS: 288 13:21:36 -40.794519 0.215780 BFGS: 289 13:21:36 -40.797095 0.298811 BFGS: 290 13:21:36 -40.797548 0.282523 BFGS: 291 13:21:36 -40.793980 0.229249 BFGS: 292 13:21:36 -40.794473 0.222145 BFGS: 293 13:21:36 -40.796886 0.315034 BFGS: 294 13:21:36 -40.794796 0.235168 BFGS: 295 13:21:36 -40.797606 0.290906 BFGS: 296 13:21:36 -40.797744 0.286049 BFGS: 297 13:21:36 -40.794153 0.203680 BFGS: 298 13:21:36 -40.794624 0.203812 BFGS: 299 13:21:36 -40.797527 0.290636 BFGS: 300 13:21:36 -40.794958 0.209118 BFGS: 301 13:21:36 -40.795104 0.209786 BFGS: 302 13:21:36 -40.796109 0.301390 BFGS: 303 13:21:36 -40.798023 0.253970 BFGS: 304 13:21:36 -40.793317 0.213688 BFGS: 305 13:21:36 -40.794911 0.159934 BFGS: 306 13:21:36 -40.795947 0.278352 BFGS: 307 13:21:36 -40.798672 0.205150 BFGS: 308 13:21:36 -40.793378 0.168448 BFGS: 309 13:21:36 -40.794966 0.122742 BFGS: 310 13:21:36 -40.796210 0.241579 BFGS: 311 13:21:36 -40.795961 0.114372 BFGS: 312 13:21:36 -40.798450 0.181162 BFGS: 313 13:21:36 -40.798876 0.171815 BFGS: 314 13:21:36 -40.793743 0.113039 BFGS: 315 13:21:36 -40.795141 0.067185 BFGS: 316 13:21:36 -40.795927 0.219061 BFGS: 317 13:21:36 -40.796090 0.075656 BFGS: 318 13:21:36 -40.798562 0.154528 BFGS: 319 13:21:36 -40.799054 0.140838 BFGS: 320 13:21:36 -40.793774 0.108447 BFGS: 321 13:21:37 -40.795157 0.064185 BFGS: 322 13:21:37 -40.795569 0.201352 BFGS: 323 13:21:37 -40.796181 0.060877 BFGS: 324 13:21:37 -40.798452 0.143721 BFGS: 325 13:21:37 -40.799017 0.129186 BFGS: 326 13:21:37 -40.793199 0.114913 BFGS: 327 13:21:37 -40.794946 0.069565 BFGS: 328 13:21:37 -40.795596 0.184009 BFGS: 329 13:21:37 -40.796121 0.057976 BFGS: 330 13:21:37 -40.798499 0.136388 BFGS: 331 13:21:37 -40.799107 0.120006 BFGS: 332 13:21:37 -40.793273 0.107397 BFGS: 333 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13:23:34 -40.799721 0.109446 BFGS: 6522 13:23:34 -40.802424 0.132643 BFGS: 6523 13:23:34 -40.803207 0.150925 BFGS: 6524 13:23:34 -40.798908 0.143879 BFGS: 6525 13:23:34 -40.799721 0.109445 BFGS: 6526 13:23:34 -40.802424 0.132648 BFGS: 6527 13:23:34 -40.803207 0.150925 BFGS: 6528 13:23:34 -40.798908 0.143875 BFGS: 6529 13:23:34 -40.799721 0.109445 BFGS: 6530 13:23:34 -40.802424 0.132653 BFGS: 6531 13:23:34 -40.803207 0.150924 BFGS: 6532 13:23:34 -40.798908 0.143870 BFGS: 6533 13:23:34 -40.799722 0.109444 BFGS: 6534 13:23:35 -40.802424 0.132658 BFGS: 6535 13:23:35 -40.803207 0.150923 BFGS: 6536 13:23:35 -40.798908 0.143865 BFGS: 6537 13:23:35 -40.799722 0.109443 BFGS: 6538 13:23:35 -40.802424 0.132663 BFGS: 6539 13:23:35 -40.803208 0.150923 BFGS: 6540 13:23:35 -40.798908 0.143861 BFGS: 6541 13:23:35 -40.799722 0.109443 BFGS: 6542 13:23:35 -40.802424 0.132667 BFGS: 6543 13:23:35 -40.803208 0.150922 BFGS: 6544 13:23:35 -40.798908 0.143856 BFGS: 6545 13:23:35 -40.799722 0.109442 BFGS: 6546 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13:23:36 -40.798909 0.143796 BFGS: 6597 13:23:36 -40.799723 0.109433 BFGS: 6598 13:23:36 -40.802427 0.132736 BFGS: 6599 13:23:36 -40.803210 0.150915 BFGS: 6600 13:23:36 -40.798909 0.143791 BFGS: 6601 13:23:36 -40.799723 0.109432 BFGS: 6602 13:23:36 -40.802427 0.132741 BFGS: 6603 13:23:36 -40.803211 0.150914 BFGS: 6604 13:23:36 -40.798909 0.143787 BFGS: 6605 13:23:36 -40.799723 0.109431 BFGS: 6606 13:23:36 -40.802427 0.132746 BFGS: 6607 13:23:36 -40.803211 0.150913 BFGS: 6608 13:23:36 -40.798909 0.143782 BFGS: 6609 13:23:36 -40.799723 0.109431 BFGS: 6610 13:23:36 -40.802427 0.132751 BFGS: 6611 13:23:36 -40.803211 0.150913 BFGS: 6612 13:23:36 -40.798909 0.143777 BFGS: 6613 13:23:36 -40.799723 0.109430 BFGS: 6614 13:23:36 -40.802427 0.132756 BFGS: 6615 13:23:36 -40.803211 0.150912 BFGS: 6616 13:23:36 -40.798909 0.143773 BFGS: 6617 13:23:36 -40.799723 0.109429 BFGS: 6618 13:23:36 -40.802428 0.132761 BFGS: 6619 13:23:36 -40.803211 0.150912 BFGS: 6620 13:23:36 -40.798909 0.143768 BFGS: 6621 13:23:36 -40.799723 0.109428 BFGS: 6622 13:23:36 -40.802428 0.132766 BFGS: 6623 13:23:36 -40.803212 0.150911 BFGS: 6624 13:23:36 -40.798909 0.143763 BFGS: 6625 13:23:36 -40.799723 0.109428 BFGS: 6626 13:23:36 -40.802428 0.132771 BFGS: 6627 13:23:36 -40.803212 0.150911 BFGS: 6628 13:23:36 -40.798909 0.143759 BFGS: 6629 13:23:36 -40.799723 0.109427 BFGS: 6630 13:23:36 -40.802428 0.132776 BFGS: 6631 13:23:36 -40.803212 0.150910 BFGS: 6632 13:23:36 -40.798909 0.143754 BFGS: 6633 13:23:36 -40.799723 0.109426 BFGS: 6634 13:23:36 -40.802428 0.132781 BFGS: 6635 13:23:36 -40.803212 0.150909 BFGS: 6636 13:23:36 -40.798909 0.143749 BFGS: 6637 13:23:36 -40.799723 0.109425 BFGS: 6638 13:23:36 -40.802428 0.132786 BFGS: 6639 13:23:36 -40.803212 0.150909 BFGS: 6640 13:23:36 -40.798909 0.143744 BFGS: 6641 13:23:36 -40.799723 0.109425 BFGS: 6642 13:23:36 -40.802429 0.132791 BFGS: 6643 13:23:36 -40.803213 0.150908 BFGS: 6644 13:23:36 -40.798909 0.143740 BFGS: 6645 13:23:36 -40.799723 0.109424 BFGS: 6646 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13:23:38 -40.803219 0.150890 BFGS: 6772 13:23:39 -40.798911 0.143587 BFGS: 6773 13:23:39 -40.799725 0.109398 BFGS: 6774 13:23:39 -40.802434 0.132957 BFGS: 6775 13:23:39 -40.803219 0.150889 BFGS: 6776 13:23:39 -40.798911 0.143582 BFGS: 6777 13:23:39 -40.799726 0.109397 BFGS: 6778 13:23:39 -40.802434 0.132963 BFGS: 6779 13:23:39 -40.803219 0.150889 BFGS: 6780 13:23:39 -40.798911 0.143577 BFGS: 6781 13:23:39 -40.799726 0.109396 BFGS: 6782 13:23:39 -40.802434 0.132968 BFGS: 6783 13:23:39 -40.803219 0.150888 BFGS: 6784 13:23:39 -40.798911 0.143573 BFGS: 6785 13:23:39 -40.799726 0.109396 BFGS: 6786 13:23:39 -40.802434 0.132973 BFGS: 6787 13:23:39 -40.803220 0.150888 BFGS: 6788 13:23:39 -40.798911 0.143568 BFGS: 6789 13:23:39 -40.799726 0.109395 BFGS: 6790 13:23:39 -40.802434 0.132978 BFGS: 6791 13:23:39 -40.803220 0.150887 BFGS: 6792 13:23:39 -40.798911 0.143563 BFGS: 6793 13:23:39 -40.799726 0.109394 BFGS: 6794 13:23:39 -40.802435 0.132983 BFGS: 6795 13:23:39 -40.803220 0.150887 BFGS: 6796 13:23:39 -40.798911 0.143558 BFGS: 6797 13:23:39 -40.799726 0.109393 BFGS: 6798 13:23:39 -40.802435 0.132988 BFGS: 6799 13:23:39 -40.803220 0.150886 BFGS: 6800 13:23:39 -40.798911 0.143553 BFGS: 6801 13:23:39 -40.799726 0.109392 BFGS: 6802 13:23:39 -40.802435 0.132993 BFGS: 6803 13:23:39 -40.803220 0.150885 BFGS: 6804 13:23:39 -40.798911 0.143548 BFGS: 6805 13:23:39 -40.799726 0.109391 BFGS: 6806 13:23:39 -40.802435 0.132998 BFGS: 6807 13:23:39 -40.803221 0.150885 BFGS: 6808 13:23:39 -40.798911 0.143544 BFGS: 6809 13:23:39 -40.799726 0.109390 BFGS: 6810 13:23:39 -40.802435 0.133004 BFGS: 6811 13:23:39 -40.803221 0.150884 BFGS: 6812 13:23:39 -40.798911 0.143539 BFGS: 6813 13:23:39 -40.799726 0.109390 BFGS: 6814 13:23:39 -40.802435 0.133009 BFGS: 6815 13:23:39 -40.803221 0.150884 BFGS: 6816 13:23:39 -40.798911 0.143534 BFGS: 6817 13:23:39 -40.799726 0.109389 BFGS: 6818 13:23:39 -40.802436 0.133014 BFGS: 6819 13:23:39 -40.803221 0.150883 BFGS: 6820 13:23:39 -40.798911 0.143529 BFGS: 6821 13:23:39 -40.799726 0.109388 BFGS: 6822 13:23:39 -40.802436 0.133019 BFGS: 6823 13:23:39 -40.803221 0.150882 BFGS: 6824 13:23:39 -40.798911 0.143524 BFGS: 6825 13:23:39 -40.799726 0.109387 BFGS: 6826 13:23:39 -40.802436 0.133024 BFGS: 6827 13:23:39 -40.803222 0.150882 BFGS: 6828 13:23:39 -40.798911 0.143519 BFGS: 6829 13:23:39 -40.799726 0.109386 BFGS: 6830 13:23:39 -40.802436 0.133029 BFGS: 6831 13:23:39 -40.803222 0.150881 BFGS: 6832 13:23:40 -40.798911 0.143514 BFGS: 6833 13:23:40 -40.799726 0.109385 BFGS: 6834 13:23:40 -40.802436 0.133034 BFGS: 6835 13:23:40 -40.803222 0.150881 BFGS: 6836 13:23:40 -40.798911 0.143509 BFGS: 6837 13:23:40 -40.799727 0.109384 BFGS: 6838 13:23:40 -40.802436 0.133040 BFGS: 6839 13:23:40 -40.803222 0.150880 BFGS: 6840 13:23:40 -40.798911 0.143505 BFGS: 6841 13:23:40 -40.799727 0.109383 BFGS: 6842 13:23:40 -40.802436 0.133045 BFGS: 6843 13:23:40 -40.803222 0.150880 BFGS: 6844 13:23:40 -40.798911 0.143500 BFGS: 6845 13:23:40 -40.799727 0.109383 BFGS: 6846 13:23:40 -40.802437 0.133050 BFGS: 6847 13:23:40 -40.803223 0.150879 BFGS: 6848 13:23:40 -40.798911 0.143495 BFGS: 6849 13:23:40 -40.799727 0.109382 BFGS: 6850 13:23:40 -40.802437 0.133055 BFGS: 6851 13:23:40 -40.803223 0.150878 BFGS: 6852 13:23:40 -40.798912 0.143490 BFGS: 6853 13:23:40 -40.799727 0.109381 BFGS: 6854 13:23:40 -40.802437 0.133060 BFGS: 6855 13:23:40 -40.803223 0.150878 BFGS: 6856 13:23:40 -40.798912 0.143485 BFGS: 6857 13:23:40 -40.799727 0.109380 BFGS: 6858 13:23:40 -40.802437 0.133065 BFGS: 6859 13:23:40 -40.803223 0.150877 BFGS: 6860 13:23:40 -40.798912 0.143480 BFGS: 6861 13:23:40 -40.799727 0.109379 BFGS: 6862 13:23:40 -40.802437 0.133071 BFGS: 6863 13:23:40 -40.803223 0.150877 BFGS: 6864 13:23:40 -40.798912 0.143475 BFGS: 6865 13:23:40 -40.799727 0.109378 BFGS: 6866 13:23:40 -40.802437 0.133076 BFGS: 6867 13:23:40 -40.803224 0.150876 BFGS: 6868 13:23:40 -40.798912 0.143470 BFGS: 6869 13:23:40 -40.799727 0.109377 BFGS: 6870 13:23:40 -40.802438 0.133081 BFGS: 6871 13:23:40 -40.803224 0.150875 BFGS: 6872 13:23:40 -40.798912 0.143465 BFGS: 6873 13:23:40 -40.799727 0.109376 BFGS: 6874 13:23:40 -40.802438 0.133086 BFGS: 6875 13:23:40 -40.803224 0.150875 BFGS: 6876 13:23:40 -40.798912 0.143460 BFGS: 6877 13:23:40 -40.799727 0.109375 BFGS: 6878 13:23:40 -40.802438 0.133091 BFGS: 6879 13:23:40 -40.803224 0.150874 BFGS: 6880 13:23:40 -40.798912 0.143455 BFGS: 6881 13:23:40 -40.799727 0.109374 BFGS: 6882 13:23:40 -40.802438 0.133097 BFGS: 6883 13:23:40 -40.803224 0.150874 BFGS: 6884 13:23:40 -40.798912 0.143450 BFGS: 6885 13:23:40 -40.799727 0.109374 BFGS: 6886 13:23:40 -40.802438 0.133102 BFGS: 6887 13:23:40 -40.803224 0.150873 BFGS: 6888 13:23:40 -40.798912 0.143446 BFGS: 6889 13:23:40 -40.799727 0.109373 BFGS: 6890 13:23:40 -40.802438 0.133107 BFGS: 6891 13:23:40 -40.803225 0.150872 BFGS: 6892 13:23:41 -40.798912 0.143441 BFGS: 6893 13:23:41 -40.799727 0.109372 BFGS: 6894 13:23:41 -40.802438 0.133112 BFGS: 6895 13:23:41 -40.803225 0.150872 BFGS: 6896 13:23:41 -40.798912 0.143436 BFGS: 6897 13:23:41 -40.799728 0.109371 BFGS: 6898 13:23:41 -40.802439 0.133117 BFGS: 6899 13:23:41 -40.803225 0.150871 BFGS: 6900 13:23:41 -40.798912 0.143431 BFGS: 6901 13:23:41 -40.799728 0.109370 BFGS: 6902 13:23:41 -40.802439 0.133123 BFGS: 6903 13:23:41 -40.803225 0.150871 BFGS: 6904 13:23:41 -40.798912 0.143426 BFGS: 6905 13:23:41 -40.799728 0.109369 BFGS: 6906 13:23:41 -40.802439 0.133128 BFGS: 6907 13:23:41 -40.803225 0.150870 BFGS: 6908 13:23:41 -40.798912 0.143421 BFGS: 6909 13:23:41 -40.799728 0.109368 BFGS: 6910 13:23:41 -40.802439 0.133133 BFGS: 6911 13:23:41 -40.803226 0.150869 BFGS: 6912 13:23:41 -40.798912 0.143416 BFGS: 6913 13:23:41 -40.799728 0.109367 BFGS: 6914 13:23:41 -40.802439 0.133138 BFGS: 6915 13:23:41 -40.803226 0.150869 BFGS: 6916 13:23:41 -40.798912 0.143411 BFGS: 6917 13:23:41 -40.799728 0.109366 BFGS: 6918 13:23:41 -40.802439 0.133144 BFGS: 6919 13:23:41 -40.803226 0.150868 BFGS: 6920 13:23:41 -40.798912 0.143406 BFGS: 6921 13:23:41 -40.799728 0.109365 BFGS: 6922 13:23:41 -40.802440 0.133149 BFGS: 6923 13:23:41 -40.803226 0.150868 BFGS: 6924 13:23:41 -40.798912 0.143401 BFGS: 6925 13:23:41 -40.799728 0.109364 BFGS: 6926 13:23:41 -40.802440 0.133154 BFGS: 6927 13:23:41 -40.803226 0.150867 BFGS: 6928 13:23:41 -40.798912 0.143396 BFGS: 6929 13:23:41 -40.799728 0.109363 BFGS: 6930 13:23:41 -40.802440 0.133159 BFGS: 6931 13:23:41 -40.803227 0.150866 BFGS: 6932 13:23:41 -40.798912 0.143391 BFGS: 6933 13:23:41 -40.799728 0.109362 BFGS: 6934 13:23:41 -40.802440 0.133165 BFGS: 6935 13:23:41 -40.803227 0.150866 BFGS: 6936 13:23:41 -40.798912 0.143386 BFGS: 6937 13:23:41 -40.799728 0.109361 BFGS: 6938 13:23:41 -40.802440 0.133170 BFGS: 6939 13:23:41 -40.803227 0.150865 BFGS: 6940 13:23:41 -40.798912 0.143381 BFGS: 6941 13:23:41 -40.799728 0.109360 BFGS: 6942 13:23:41 -40.802440 0.133175 BFGS: 6943 13:23:41 -40.803227 0.150865 BFGS: 6944 13:23:41 -40.798912 0.143376 BFGS: 6945 13:23:41 -40.799728 0.109360 BFGS: 6946 13:23:41 -40.802440 0.133180 BFGS: 6947 13:23:41 -40.803227 0.150864 BFGS: 6948 13:23:41 -40.798912 0.143371 BFGS: 6949 13:23:41 -40.799728 0.109359 BFGS: 6950 13:23:41 -40.802441 0.133186 BFGS: 6951 13:23:42 -40.803228 0.150863 BFGS: 6952 13:23:42 -40.798912 0.143366 BFGS: 6953 13:23:42 -40.799728 0.109358 BFGS: 6954 13:23:42 -40.802441 0.133191 BFGS: 6955 13:23:42 -40.803228 0.150863 BFGS: 6956 13:23:42 -40.798913 0.143361 BFGS: 6957 13:23:42 -40.799729 0.109357 BFGS: 6958 13:23:42 -40.802441 0.133196 BFGS: 6959 13:23:42 -40.803228 0.150862 BFGS: 6960 13:23:42 -40.798913 0.143356 BFGS: 6961 13:23:42 -40.799729 0.109356 BFGS: 6962 13:23:42 -40.802441 0.133201 BFGS: 6963 13:23:42 -40.803228 0.150862 BFGS: 6964 13:23:42 -40.798913 0.143351 BFGS: 6965 13:23:42 -40.799729 0.109355 BFGS: 6966 13:23:42 -40.802441 0.133207 BFGS: 6967 13:23:42 -40.803228 0.150861 BFGS: 6968 13:23:42 -40.798913 0.143346 BFGS: 6969 13:23:42 -40.799729 0.109354 BFGS: 6970 13:23:42 -40.802441 0.133212 BFGS: 6971 13:23:42 -40.803228 0.150860 BFGS: 6972 13:23:42 -40.798913 0.143341 BFGS: 6973 13:23:42 -40.799729 0.109353 BFGS: 6974 13:23:42 -40.802441 0.133217 BFGS: 6975 13:23:42 -40.803229 0.150860 BFGS: 6976 13:23:42 -40.798913 0.143336 BFGS: 6977 13:23:42 -40.799729 0.109352 BFGS: 6978 13:23:42 -40.802442 0.133222 BFGS: 6979 13:23:42 -40.803229 0.150859 BFGS: 6980 13:23:42 -40.798913 0.143331 BFGS: 6981 13:23:42 -40.799729 0.109351 BFGS: 6982 13:23:42 -40.802442 0.133228 BFGS: 6983 13:23:42 -40.803229 0.150859 BFGS: 6984 13:23:42 -40.798913 0.143326 BFGS: 6985 13:23:42 -40.799729 0.109350 BFGS: 6986 13:23:42 -40.802442 0.133233 BFGS: 6987 13:23:42 -40.803229 0.150858 BFGS: 6988 13:23:42 -40.798913 0.143321 BFGS: 6989 13:23:42 -40.799729 0.109349 BFGS: 6990 13:23:42 -40.802442 0.133238 BFGS: 6991 13:23:42 -40.803229 0.150857 BFGS: 6992 13:23:42 -40.798913 0.143316 BFGS: 6993 13:23:42 -40.799729 0.109348 BFGS: 6994 13:23:42 -40.802442 0.133244 BFGS: 6995 13:23:42 -40.803230 0.150857 BFGS: 6996 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13:23:44 -40.798914 0.143184 BFGS: 7097 13:23:44 -40.799731 0.109322 BFGS: 7098 13:23:44 -40.802446 0.133382 BFGS: 7099 13:23:44 -40.803234 0.150841 BFGS: 7100 13:23:44 -40.798914 0.143179 BFGS: 7101 13:23:44 -40.799731 0.109321 BFGS: 7102 13:23:44 -40.802446 0.133387 BFGS: 7103 13:23:44 -40.803235 0.150840 BFGS: 7104 13:23:44 -40.798914 0.143174 BFGS: 7105 13:23:44 -40.799731 0.109320 BFGS: 7106 13:23:44 -40.802446 0.133393 BFGS: 7107 13:23:44 -40.803235 0.150839 BFGS: 7108 13:23:44 -40.798914 0.143169 BFGS: 7109 13:23:44 -40.799731 0.109319 BFGS: 7110 13:23:44 -40.802446 0.133398 BFGS: 7111 13:23:44 -40.803235 0.150839 BFGS: 7112 13:23:44 -40.798914 0.143164 BFGS: 7113 13:23:44 -40.799731 0.109318 BFGS: 7114 13:23:44 -40.802447 0.133404 BFGS: 7115 13:23:44 -40.803235 0.150838 BFGS: 7116 13:23:44 -40.798914 0.143159 BFGS: 7117 13:23:44 -40.799731 0.109316 BFGS: 7118 13:23:44 -40.802447 0.133409 BFGS: 7119 13:23:44 -40.803235 0.150838 BFGS: 7120 13:23:44 -40.798914 0.143153 BFGS: 7121 13:23:44 -40.799731 0.109315 BFGS: 7122 13:23:44 -40.802447 0.133414 BFGS: 7123 13:23:44 -40.803236 0.150837 BFGS: 7124 13:23:44 -40.798914 0.143148 BFGS: 7125 13:23:44 -40.799731 0.109314 BFGS: 7126 13:23:44 -40.802447 0.133420 BFGS: 7127 13:23:44 -40.803236 0.150836 BFGS: 7128 13:23:44 -40.798914 0.143143 BFGS: 7129 13:23:44 -40.799731 0.109313 BFGS: 7130 13:23:45 -40.802447 0.133425 BFGS: 7131 13:23:45 -40.803236 0.150836 BFGS: 7132 13:23:45 -40.798914 0.143138 BFGS: 7133 13:23:45 -40.799732 0.109312 BFGS: 7134 13:23:45 -40.802447 0.133431 BFGS: 7135 13:23:45 -40.803236 0.150835 BFGS: 7136 13:23:45 -40.798914 0.143133 BFGS: 7137 13:23:45 -40.799732 0.109311 BFGS: 7138 13:23:45 -40.802447 0.133436 BFGS: 7139 13:23:45 -40.803236 0.150834 BFGS: 7140 13:23:45 -40.798914 0.143128 BFGS: 7141 13:23:45 -40.799732 0.109310 BFGS: 7142 13:23:45 -40.802448 0.133441 BFGS: 7143 13:23:45 -40.803237 0.150834 BFGS: 7144 13:23:45 -40.798914 0.143123 BFGS: 7145 13:23:45 -40.799732 0.109309 BFGS: 7146 13:23:45 -40.802448 0.133447 BFGS: 7147 13:23:45 -40.803237 0.150833 BFGS: 7148 13:23:45 -40.798914 0.143117 BFGS: 7149 13:23:45 -40.799732 0.109308 BFGS: 7150 13:23:45 -40.802448 0.133452 BFGS: 7151 13:23:45 -40.803237 0.150832 BFGS: 7152 13:23:45 -40.798914 0.143112 BFGS: 7153 13:23:45 -40.799732 0.109307 BFGS: 7154 13:23:45 -40.802448 0.133458 BFGS: 7155 13:23:45 -40.803237 0.150832 BFGS: 7156 13:23:45 -40.798914 0.143107 BFGS: 7157 13:23:45 -40.799732 0.109306 BFGS: 7158 13:23:45 -40.802448 0.133463 BFGS: 7159 13:23:45 -40.803237 0.150831 BFGS: 7160 13:23:45 -40.798915 0.143102 BFGS: 7161 13:23:45 -40.799732 0.109305 BFGS: 7162 13:23:45 -40.802448 0.133468 BFGS: 7163 13:23:45 -40.803237 0.150831 BFGS: 7164 13:23:45 -40.798915 0.143097 BFGS: 7165 13:23:45 -40.799732 0.109304 BFGS: 7166 13:23:45 -40.802448 0.133474 BFGS: 7167 13:23:45 -40.803238 0.150830 BFGS: 7168 13:23:45 -40.798915 0.143092 BFGS: 7169 13:23:45 -40.799732 0.109303 BFGS: 7170 13:23:45 -40.802449 0.133479 BFGS: 7171 13:23:45 -40.803238 0.150829 BFGS: 7172 13:23:45 -40.798915 0.143086 BFGS: 7173 13:23:45 -40.799732 0.109302 BFGS: 7174 13:23:45 -40.802449 0.133485 BFGS: 7175 13:23:45 -40.803238 0.150829 BFGS: 7176 13:23:45 -40.798915 0.143081 BFGS: 7177 13:23:45 -40.799732 0.109300 BFGS: 7178 13:23:45 -40.802449 0.133490 BFGS: 7179 13:23:45 -40.803238 0.150828 BFGS: 7180 13:23:45 -40.798915 0.143076 BFGS: 7181 13:23:45 -40.799732 0.109299 BFGS: 7182 13:23:45 -40.802449 0.133495 BFGS: 7183 13:23:45 -40.803238 0.150827 BFGS: 7184 13:23:45 -40.798915 0.143071 BFGS: 7185 13:23:45 -40.799732 0.109298 BFGS: 7186 13:23:45 -40.802449 0.133501 BFGS: 7187 13:23:45 -40.803239 0.150827 BFGS: 7188 13:23:45 -40.798915 0.143066 BFGS: 7189 13:23:45 -40.799732 0.109297 BFGS: 7190 13:23:46 -40.802449 0.133506 BFGS: 7191 13:23:46 -40.803239 0.150826 BFGS: 7192 13:23:46 -40.798915 0.143060 BFGS: 7193 13:23:46 -40.799733 0.109296 BFGS: 7194 13:23:46 -40.802449 0.133512 BFGS: 7195 13:23:46 -40.803239 0.150825 BFGS: 7196 13:23:46 -40.798915 0.143055 BFGS: 7197 13:23:46 -40.799733 0.109295 BFGS: 7198 13:23:46 -40.802450 0.133517 BFGS: 7199 13:23:46 -40.803239 0.150825 BFGS: 7200 13:23:46 -40.798915 0.143050 BFGS: 7201 13:23:46 -40.799733 0.109294 BFGS: 7202 13:23:46 -40.802450 0.133523 BFGS: 7203 13:23:46 -40.803239 0.150824 BFGS: 7204 13:23:46 -40.798915 0.143045 BFGS: 7205 13:23:46 -40.799733 0.109293 BFGS: 7206 13:23:46 -40.802450 0.133528 BFGS: 7207 13:23:46 -40.803239 0.150823 BFGS: 7208 13:23:46 -40.798915 0.143040 BFGS: 7209 13:23:46 -40.799733 0.109292 BFGS: 7210 13:23:46 -40.802450 0.133533 BFGS: 7211 13:23:46 -40.803240 0.150823 BFGS: 7212 13:23:46 -40.798915 0.143034 BFGS: 7213 13:23:46 -40.799733 0.109291 BFGS: 7214 13:23:46 -40.802450 0.133539 BFGS: 7215 13:23:46 -40.803240 0.150822 BFGS: 7216 13:23:46 -40.798915 0.143029 BFGS: 7217 13:23:46 -40.799733 0.109289 BFGS: 7218 13:23:46 -40.802450 0.133544 BFGS: 7219 13:23:46 -40.803240 0.150821 BFGS: 7220 13:23:46 -40.798915 0.143024 BFGS: 7221 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13:23:56 -40.798920 0.142236 BFGS: 7797 13:23:56 -40.799743 0.109102 BFGS: 7798 13:23:56 -40.802469 0.134354 BFGS: 7799 13:23:56 -40.803266 0.150714 BFGS: 7800 13:23:56 -40.798920 0.142230 BFGS: 7801 13:23:56 -40.799743 0.109100 BFGS: 7802 13:23:56 -40.802469 0.134360 BFGS: 7803 13:23:56 -40.803266 0.150713 BFGS: 7804 13:23:56 -40.798920 0.142225 BFGS: 7805 13:23:56 -40.799743 0.109099 BFGS: 7806 13:23:56 -40.802469 0.134365 BFGS: 7807 13:23:56 -40.803266 0.150712 BFGS: 7808 13:23:56 -40.798920 0.142219 BFGS: 7809 13:23:56 -40.799743 0.109097 BFGS: 7810 13:23:56 -40.802469 0.134371 BFGS: 7811 13:23:56 -40.803266 0.150711 BFGS: 7812 13:23:56 -40.798920 0.142213 BFGS: 7813 13:23:56 -40.799743 0.109096 BFGS: 7814 13:23:56 -40.802470 0.134377 BFGS: 7815 13:23:56 -40.803266 0.150711 BFGS: 7816 13:23:56 -40.798920 0.142208 BFGS: 7817 13:23:56 -40.799743 0.109094 BFGS: 7818 13:23:56 -40.802470 0.134383 BFGS: 7819 13:23:56 -40.803266 0.150710 BFGS: 7820 13:23:56 -40.798921 0.142202 BFGS: 7821 13:23:56 -40.799743 0.109093 BFGS: 7822 13:23:56 -40.802470 0.134388 BFGS: 7823 13:23:56 -40.803267 0.150709 BFGS: 7824 13:23:56 -40.798921 0.142196 BFGS: 7825 13:23:56 -40.799743 0.109091 BFGS: 7826 13:23:56 -40.802470 0.134394 BFGS: 7827 13:23:56 -40.803267 0.150708 BFGS: 7828 13:23:56 -40.798921 0.142190 BFGS: 7829 13:23:56 -40.799744 0.109089 BFGS: 7830 13:23:56 -40.802470 0.134400 BFGS: 7831 13:23:56 -40.803267 0.150707 BFGS: 7832 13:23:56 -40.798921 0.142185 BFGS: 7833 13:23:56 -40.799744 0.109088 BFGS: 7834 13:23:56 -40.802470 0.134405 BFGS: 7835 13:23:56 -40.803267 0.150706 BFGS: 7836 13:23:56 -40.798921 0.142179 BFGS: 7837 13:23:56 -40.799744 0.109086 BFGS: 7838 13:23:56 -40.802470 0.134411 BFGS: 7839 13:23:56 -40.803267 0.150705 BFGS: 7840 13:23:56 -40.798921 0.142173 BFGS: 7841 13:23:56 -40.799744 0.109085 BFGS: 7842 13:23:56 -40.802470 0.134417 BFGS: 7843 13:23:56 -40.803268 0.150705 BFGS: 7844 13:23:56 -40.798921 0.142167 BFGS: 7845 13:23:57 -40.799744 0.109083 BFGS: 7846 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13:24:06 -40.798925 0.141337 BFGS: 8397 13:24:06 -40.799753 0.108844 BFGS: 8398 13:24:06 -40.802486 0.135210 BFGS: 8399 13:24:06 -40.803290 0.150564 BFGS: 8400 13:24:06 -40.798925 0.141330 BFGS: 8401 13:24:06 -40.799753 0.108842 BFGS: 8402 13:24:06 -40.802486 0.135216 BFGS: 8403 13:24:06 -40.803290 0.150562 BFGS: 8404 13:24:06 -40.798925 0.141324 BFGS: 8405 13:24:06 -40.799754 0.108840 BFGS: 8406 13:24:06 -40.802486 0.135221 BFGS: 8407 13:24:06 -40.803291 0.150561 BFGS: 8408 13:24:06 -40.798925 0.141318 BFGS: 8409 13:24:06 -40.799754 0.108838 BFGS: 8410 13:24:06 -40.802486 0.135227 BFGS: 8411 13:24:06 -40.803291 0.150560 BFGS: 8412 13:24:06 -40.798925 0.141311 BFGS: 8413 13:24:06 -40.799754 0.108836 BFGS: 8414 13:24:06 -40.802486 0.135233 BFGS: 8415 13:24:06 -40.803291 0.150559 BFGS: 8416 13:24:06 -40.798925 0.141305 BFGS: 8417 13:24:06 -40.799754 0.108834 BFGS: 8418 13:24:06 -40.802486 0.135238 BFGS: 8419 13:24:06 -40.803291 0.150558 BFGS: 8420 13:24:06 -40.798925 0.141299 BFGS: 8421 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13:24:07 -40.802487 0.135278 BFGS: 8447 13:24:07 -40.803292 0.150549 BFGS: 8448 13:24:07 -40.798926 0.141255 BFGS: 8449 13:24:07 -40.799754 0.108818 BFGS: 8450 13:24:07 -40.802487 0.135284 BFGS: 8451 13:24:07 -40.803292 0.150548 BFGS: 8452 13:24:07 -40.798926 0.141248 BFGS: 8453 13:24:07 -40.799754 0.108816 BFGS: 8454 13:24:07 -40.802487 0.135289 BFGS: 8455 13:24:07 -40.803292 0.150547 BFGS: 8456 13:24:07 -40.798926 0.141242 BFGS: 8457 13:24:07 -40.799754 0.108814 BFGS: 8458 13:24:07 -40.802487 0.135295 BFGS: 8459 13:24:07 -40.803293 0.150546 BFGS: 8460 13:24:07 -40.798926 0.141236 BFGS: 8461 13:24:07 -40.799755 0.108812 BFGS: 8462 13:24:07 -40.802487 0.135301 BFGS: 8463 13:24:07 -40.803293 0.150545 BFGS: 8464 13:24:07 -40.798926 0.141229 BFGS: 8465 13:24:07 -40.799755 0.108810 BFGS: 8466 13:24:07 -40.802487 0.135306 BFGS: 8467 13:24:07 -40.803293 0.150543 BFGS: 8468 13:24:07 -40.798926 0.141223 BFGS: 8469 13:24:07 -40.799755 0.108808 BFGS: 8470 13:24:07 -40.802487 0.135312 BFGS: 8471 13:24:07 -40.803293 0.150542 BFGS: 8472 13:24:07 -40.798926 0.141217 BFGS: 8473 13:24:07 -40.799755 0.108806 BFGS: 8474 13:24:07 -40.802487 0.135318 BFGS: 8475 13:24:07 -40.803293 0.150541 BFGS: 8476 13:24:07 -40.798926 0.141210 BFGS: 8477 13:24:07 -40.799755 0.108804 BFGS: 8478 13:24:07 -40.802488 0.135324 BFGS: 8479 13:24:07 -40.803293 0.150540 BFGS: 8480 13:24:07 -40.798926 0.141204 BFGS: 8481 13:24:07 -40.799755 0.108802 BFGS: 8482 13:24:07 -40.802488 0.135329 BFGS: 8483 13:24:07 -40.803294 0.150538 BFGS: 8484 13:24:07 -40.798926 0.141198 BFGS: 8485 13:24:07 -40.799755 0.108800 BFGS: 8486 13:24:07 -40.802488 0.135335 BFGS: 8487 13:24:07 -40.803294 0.150537 BFGS: 8488 13:24:07 -40.798926 0.141191 BFGS: 8489 13:24:07 -40.799755 0.108798 BFGS: 8490 13:24:07 -40.802488 0.135341 BFGS: 8491 13:24:07 -40.803294 0.150536 BFGS: 8492 13:24:07 -40.798926 0.141185 BFGS: 8493 13:24:07 -40.799755 0.108796 BFGS: 8494 13:24:07 -40.802488 0.135346 BFGS: 8495 13:24:07 -40.803294 0.150535 BFGS: 8496 13:24:07 -40.798926 0.141178 BFGS: 8497 13:24:07 -40.799755 0.108794 BFGS: 8498 13:24:07 -40.802488 0.135352 BFGS: 8499 13:24:07 -40.803294 0.150533 BFGS: 8500 13:24:07 -40.798926 0.141172 BFGS: 8501 13:24:07 -40.799755 0.108791 BFGS: 8502 13:24:08 -40.802488 0.135358 BFGS: 8503 13:24:08 -40.803294 0.150532 BFGS: 8504 13:24:08 -40.798926 0.141166 BFGS: 8505 13:24:08 -40.799755 0.108789 BFGS: 8506 13:24:08 -40.802488 0.135363 BFGS: 8507 13:24:08 -40.803294 0.150531 BFGS: 8508 13:24:08 -40.798926 0.141159 BFGS: 8509 13:24:08 -40.799755 0.108787 BFGS: 8510 13:24:08 -40.802488 0.135369 BFGS: 8511 13:24:08 -40.803295 0.150530 BFGS: 8512 13:24:08 -40.798926 0.141153 BFGS: 8513 13:24:08 -40.799755 0.108785 BFGS: 8514 13:24:08 -40.802488 0.135375 BFGS: 8515 13:24:08 -40.803295 0.150528 BFGS: 8516 13:24:08 -40.798926 0.141146 BFGS: 8517 13:24:08 -40.799756 0.108783 BFGS: 8518 13:24:08 -40.802489 0.135380 BFGS: 8519 13:24:08 -40.803295 0.150527 BFGS: 8520 13:24:08 -40.798926 0.141140 BFGS: 8521 13:24:08 -40.799756 0.108781 BFGS: 8522 13:24:08 -40.802489 0.135386 BFGS: 8523 13:24:08 -40.803295 0.150526 BFGS: 8524 13:24:08 -40.798926 0.141134 BFGS: 8525 13:24:08 -40.799756 0.108779 BFGS: 8526 13:24:08 -40.802489 0.135392 BFGS: 8527 13:24:08 -40.803295 0.150525 BFGS: 8528 13:24:08 -40.798926 0.141127 BFGS: 8529 13:24:08 -40.799756 0.108777 BFGS: 8530 13:24:08 -40.802489 0.135397 BFGS: 8531 13:24:08 -40.803295 0.150523 BFGS: 8532 13:24:08 -40.798926 0.141121 BFGS: 8533 13:24:08 -40.799756 0.108775 BFGS: 8534 13:24:08 -40.802489 0.135403 BFGS: 8535 13:24:08 -40.803296 0.150522 BFGS: 8536 13:24:08 -40.798926 0.141114 BFGS: 8537 13:24:08 -40.799756 0.108773 BFGS: 8538 13:24:08 -40.802489 0.135409 BFGS: 8539 13:24:08 -40.803296 0.150521 BFGS: 8540 13:24:08 -40.798926 0.141108 BFGS: 8541 13:24:08 -40.799756 0.108771 BFGS: 8542 13:24:08 -40.802489 0.135414 BFGS: 8543 13:24:08 -40.803296 0.150520 BFGS: 8544 13:24:08 -40.798926 0.141102 BFGS: 8545 13:24:08 -40.799756 0.108769 BFGS: 8546 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13:24:09 -40.803297 0.150511 BFGS: 8572 13:24:09 -40.798927 0.141057 BFGS: 8573 13:24:09 -40.799757 0.108754 BFGS: 8574 13:24:09 -40.802490 0.135459 BFGS: 8575 13:24:09 -40.803297 0.150509 BFGS: 8576 13:24:09 -40.798927 0.141050 BFGS: 8577 13:24:09 -40.799757 0.108752 BFGS: 8578 13:24:09 -40.802490 0.135465 BFGS: 8579 13:24:09 -40.803297 0.150508 BFGS: 8580 13:24:09 -40.798927 0.141044 BFGS: 8581 13:24:09 -40.799757 0.108750 BFGS: 8582 13:24:09 -40.802490 0.135471 BFGS: 8583 13:24:09 -40.803297 0.150507 BFGS: 8584 13:24:09 -40.798927 0.141037 BFGS: 8585 13:24:09 -40.799757 0.108748 BFGS: 8586 13:24:09 -40.802490 0.135476 BFGS: 8587 13:24:09 -40.803298 0.150506 BFGS: 8588 13:24:09 -40.798927 0.141031 BFGS: 8589 13:24:09 -40.799757 0.108746 BFGS: 8590 13:24:09 -40.802490 0.135482 BFGS: 8591 13:24:09 -40.803298 0.150504 BFGS: 8592 13:24:09 -40.798927 0.141024 BFGS: 8593 13:24:09 -40.799757 0.108743 BFGS: 8594 13:24:09 -40.802490 0.135488 BFGS: 8595 13:24:09 -40.803298 0.150503 BFGS: 8596 13:24:09 -40.798927 0.141018 BFGS: 8597 13:24:09 -40.799757 0.108741 BFGS: 8598 13:24:09 -40.802490 0.135493 BFGS: 8599 13:24:09 -40.803298 0.150502 BFGS: 8600 13:24:09 -40.798927 0.141011 BFGS: 8601 13:24:09 -40.799757 0.108739 BFGS: 8602 13:24:09 -40.802491 0.135499 BFGS: 8603 13:24:09 -40.803298 0.150500 BFGS: 8604 13:24:09 -40.798927 0.141005 BFGS: 8605 13:24:09 -40.799757 0.108737 BFGS: 8606 13:24:09 -40.802491 0.135505 BFGS: 8607 13:24:09 -40.803298 0.150499 BFGS: 8608 13:24:09 -40.798927 0.140998 BFGS: 8609 13:24:09 -40.799757 0.108735 BFGS: 8610 13:24:09 -40.802491 0.135510 BFGS: 8611 13:24:09 -40.803298 0.150498 BFGS: 8612 13:24:09 -40.798927 0.140992 BFGS: 8613 13:24:09 -40.799757 0.108733 BFGS: 8614 13:24:09 -40.802491 0.135516 BFGS: 8615 13:24:09 -40.803299 0.150496 BFGS: 8616 13:24:09 -40.798927 0.140985 BFGS: 8617 13:24:09 -40.799757 0.108731 BFGS: 8618 13:24:09 -40.802491 0.135522 BFGS: 8619 13:24:09 -40.803299 0.150495 BFGS: 8620 13:24:09 -40.798927 0.140979 BFGS: 8621 13:24:09 -40.799757 0.108728 BFGS: 8622 13:24:10 -40.802491 0.135527 BFGS: 8623 13:24:10 -40.803299 0.150494 BFGS: 8624 13:24:10 -40.798927 0.140972 BFGS: 8625 13:24:10 -40.799757 0.108726 BFGS: 8626 13:24:10 -40.802491 0.135533 BFGS: 8627 13:24:10 -40.803299 0.150492 BFGS: 8628 13:24:10 -40.798927 0.140966 BFGS: 8629 13:24:10 -40.799758 0.108724 BFGS: 8630 13:24:10 -40.802491 0.135539 BFGS: 8631 13:24:10 -40.803299 0.150491 BFGS: 8632 13:24:10 -40.798927 0.140959 BFGS: 8633 13:24:10 -40.799758 0.108722 BFGS: 8634 13:24:10 -40.802491 0.135544 BFGS: 8635 13:24:10 -40.803299 0.150490 BFGS: 8636 13:24:10 -40.798927 0.140953 BFGS: 8637 13:24:10 -40.799758 0.108720 BFGS: 8638 13:24:10 -40.802491 0.135550 BFGS: 8639 13:24:10 -40.803300 0.150488 BFGS: 8640 13:24:10 -40.798927 0.140946 BFGS: 8641 13:24:10 -40.799758 0.108718 BFGS: 8642 13:24:10 -40.802491 0.135555 BFGS: 8643 13:24:10 -40.803300 0.150487 BFGS: 8644 13:24:10 -40.798927 0.140940 BFGS: 8645 13:24:10 -40.799758 0.108715 BFGS: 8646 13:24:10 -40.802492 0.135561 BFGS: 8647 13:24:10 -40.803300 0.150486 BFGS: 8648 13:24:10 -40.798927 0.140933 BFGS: 8649 13:24:10 -40.799758 0.108713 BFGS: 8650 13:24:10 -40.802492 0.135567 BFGS: 8651 13:24:10 -40.803300 0.150484 BFGS: 8652 13:24:10 -40.798927 0.140927 BFGS: 8653 13:24:10 -40.799758 0.108711 BFGS: 8654 13:24:10 -40.802492 0.135572 BFGS: 8655 13:24:10 -40.803300 0.150483 BFGS: 8656 13:24:10 -40.798927 0.140920 BFGS: 8657 13:24:10 -40.799758 0.108709 BFGS: 8658 13:24:10 -40.802492 0.135578 BFGS: 8659 13:24:10 -40.803300 0.150482 BFGS: 8660 13:24:10 -40.798927 0.140914 BFGS: 8661 13:24:10 -40.799758 0.108707 BFGS: 8662 13:24:10 -40.802492 0.135584 BFGS: 8663 13:24:10 -40.803300 0.150480 BFGS: 8664 13:24:10 -40.798927 0.140907 BFGS: 8665 13:24:10 -40.799758 0.108705 BFGS: 8666 13:24:10 -40.802492 0.135589 BFGS: 8667 13:24:10 -40.803301 0.150479 BFGS: 8668 13:24:10 -40.798927 0.140901 BFGS: 8669 13:24:10 -40.799758 0.108702 BFGS: 8670 13:24:10 -40.802492 0.135595 BFGS: 8671 13:24:10 -40.803301 0.150478 BFGS: 8672 13:24:10 -40.798927 0.140894 BFGS: 8673 13:24:10 -40.799758 0.108700 BFGS: 8674 13:24:10 -40.802492 0.135600 BFGS: 8675 13:24:10 -40.803301 0.150476 BFGS: 8676 13:24:10 -40.798927 0.140888 BFGS: 8677 13:24:10 -40.799758 0.108698 BFGS: 8678 13:24:10 -40.802492 0.135606 BFGS: 8679 13:24:10 -40.803301 0.150475 BFGS: 8680 13:24:10 -40.798927 0.140881 BFGS: 8681 13:24:11 -40.799758 0.108696 BFGS: 8682 13:24:11 -40.802492 0.135612 BFGS: 8683 13:24:11 -40.803301 0.150474 BFGS: 8684 13:24:11 -40.798927 0.140875 BFGS: 8685 13:24:11 -40.799758 0.108694 BFGS: 8686 13:24:11 -40.802493 0.135617 BFGS: 8687 13:24:11 -40.803301 0.150472 BFGS: 8688 13:24:11 -40.798927 0.140868 BFGS: 8689 13:24:11 -40.799759 0.108691 BFGS: 8690 13:24:11 -40.802493 0.135623 BFGS: 8691 13:24:11 -40.803302 0.150471 BFGS: 8692 13:24:11 -40.798927 0.140861 BFGS: 8693 13:24:11 -40.799759 0.108689 BFGS: 8694 13:24:11 -40.802493 0.135629 BFGS: 8695 13:24:11 -40.803302 0.150469 BFGS: 8696 13:24:11 -40.798927 0.140855 BFGS: 8697 13:24:11 -40.799759 0.108687 BFGS: 8698 13:24:11 -40.802493 0.135634 BFGS: 8699 13:24:11 -40.803302 0.150468 BFGS: 8700 13:24:11 -40.798927 0.140848 BFGS: 8701 13:24:11 -40.799759 0.108685 BFGS: 8702 13:24:11 -40.802493 0.135640 BFGS: 8703 13:24:11 -40.803302 0.150467 BFGS: 8704 13:24:11 -40.798927 0.140842 BFGS: 8705 13:24:11 -40.799759 0.108682 BFGS: 8706 13:24:11 -40.802493 0.135645 BFGS: 8707 13:24:11 -40.803302 0.150465 BFGS: 8708 13:24:11 -40.798927 0.140835 BFGS: 8709 13:24:11 -40.799759 0.108680 BFGS: 8710 13:24:11 -40.802493 0.135651 BFGS: 8711 13:24:11 -40.803302 0.150464 BFGS: 8712 13:24:11 -40.798928 0.140829 BFGS: 8713 13:24:11 -40.799759 0.108678 BFGS: 8714 13:24:11 -40.802493 0.135657 BFGS: 8715 13:24:11 -40.803302 0.150463 BFGS: 8716 13:24:11 -40.798928 0.140822 BFGS: 8717 13:24:11 -40.799759 0.108676 BFGS: 8718 13:24:11 -40.802493 0.135662 BFGS: 8719 13:24:11 -40.803303 0.150461 BFGS: 8720 13:24:11 -40.798928 0.140815 BFGS: 8721 13:24:11 -40.799759 0.108674 BFGS: 8722 13:24:11 -40.802493 0.135668 BFGS: 8723 13:24:11 -40.803303 0.150460 BFGS: 8724 13:24:11 -40.798928 0.140809 BFGS: 8725 13:24:11 -40.799759 0.108671 BFGS: 8726 13:24:11 -40.802493 0.135674 BFGS: 8727 13:24:11 -40.803303 0.150458 BFGS: 8728 13:24:11 -40.798928 0.140802 BFGS: 8729 13:24:11 -40.799759 0.108669 BFGS: 8730 13:24:11 -40.802494 0.135679 BFGS: 8731 13:24:11 -40.803303 0.150457 BFGS: 8732 13:24:11 -40.798928 0.140796 BFGS: 8733 13:24:11 -40.799759 0.108667 BFGS: 8734 13:24:11 -40.802494 0.135685 BFGS: 8735 13:24:11 -40.803303 0.150456 BFGS: 8736 13:24:11 -40.798928 0.140789 BFGS: 8737 13:24:11 -40.799759 0.108665 BFGS: 8738 13:24:11 -40.802494 0.135690 BFGS: 8739 13:24:11 -40.803303 0.150454 BFGS: 8740 13:24:11 -40.798928 0.140782 BFGS: 8741 13:24:12 -40.799759 0.108662 BFGS: 8742 13:24:12 -40.802494 0.135696 BFGS: 8743 13:24:12 -40.803304 0.150453 BFGS: 8744 13:24:12 -40.798928 0.140776 BFGS: 8745 13:24:12 -40.799760 0.108660 BFGS: 8746 13:24:12 -40.802494 0.135702 BFGS: 8747 13:24:12 -40.803304 0.150451 BFGS: 8748 13:24:12 -40.798928 0.140769 BFGS: 8749 13:24:12 -40.799760 0.108658 BFGS: 8750 13:24:12 -40.802494 0.135707 BFGS: 8751 13:24:12 -40.803304 0.150450 BFGS: 8752 13:24:12 -40.798928 0.140763 BFGS: 8753 13:24:12 -40.799760 0.108656 BFGS: 8754 13:24:12 -40.802494 0.135713 BFGS: 8755 13:24:12 -40.803304 0.150449 BFGS: 8756 13:24:12 -40.798928 0.140756 BFGS: 8757 13:24:12 -40.799760 0.108653 BFGS: 8758 13:24:12 -40.802494 0.135718 BFGS: 8759 13:24:12 -40.803304 0.150447 BFGS: 8760 13:24:12 -40.798928 0.140749 BFGS: 8761 13:24:12 -40.799760 0.108651 BFGS: 8762 13:24:12 -40.802494 0.135724 BFGS: 8763 13:24:12 -40.803304 0.150446 BFGS: 8764 13:24:12 -40.798928 0.140743 BFGS: 8765 13:24:12 -40.799760 0.108649 BFGS: 8766 13:24:12 -40.802494 0.135730 BFGS: 8767 13:24:12 -40.803304 0.150444 BFGS: 8768 13:24:12 -40.798928 0.140736 BFGS: 8769 13:24:12 -40.799760 0.108646 BFGS: 8770 13:24:12 -40.802494 0.135735 BFGS: 8771 13:24:12 -40.803305 0.150443 BFGS: 8772 13:24:12 -40.798928 0.140729 BFGS: 8773 13:24:12 -40.799760 0.108644 BFGS: 8774 13:24:12 -40.802495 0.135741 BFGS: 8775 13:24:12 -40.803305 0.150441 BFGS: 8776 13:24:12 -40.798928 0.140723 BFGS: 8777 13:24:12 -40.799760 0.108642 BFGS: 8778 13:24:12 -40.802495 0.135746 BFGS: 8779 13:24:12 -40.803305 0.150440 BFGS: 8780 13:24:12 -40.798928 0.140716 BFGS: 8781 13:24:12 -40.799760 0.108640 BFGS: 8782 13:24:12 -40.802495 0.135752 BFGS: 8783 13:24:12 -40.803305 0.150439 BFGS: 8784 13:24:12 -40.798928 0.140709 BFGS: 8785 13:24:12 -40.799760 0.108637 BFGS: 8786 13:24:12 -40.802495 0.135758 BFGS: 8787 13:24:12 -40.803305 0.150437 BFGS: 8788 13:24:12 -40.798928 0.140703 BFGS: 8789 13:24:12 -40.799760 0.108635 BFGS: 8790 13:24:12 -40.802495 0.135763 BFGS: 8791 13:24:12 -40.803305 0.150436 BFGS: 8792 13:24:12 -40.798928 0.140696 BFGS: 8793 13:24:12 -40.799760 0.108633 BFGS: 8794 13:24:12 -40.802495 0.135769 BFGS: 8795 13:24:12 -40.803305 0.150434 BFGS: 8796 13:24:12 -40.798928 0.140689 BFGS: 8797 13:24:12 -40.799760 0.108630 BFGS: 8798 13:24:12 -40.802495 0.135774 BFGS: 8799 13:24:12 -40.803306 0.150433 BFGS: 8800 13:24:12 -40.798928 0.140683 BFGS: 8801 13:24:13 -40.799761 0.108628 BFGS: 8802 13:24:13 -40.802495 0.135780 BFGS: 8803 13:24:13 -40.803306 0.150431 BFGS: 8804 13:24:13 -40.798928 0.140676 BFGS: 8805 13:24:13 -40.799761 0.108626 BFGS: 8806 13:24:13 -40.802495 0.135785 BFGS: 8807 13:24:13 -40.803306 0.150430 BFGS: 8808 13:24:13 -40.798928 0.140669 BFGS: 8809 13:24:13 -40.799761 0.108623 BFGS: 8810 13:24:13 -40.802495 0.135791 BFGS: 8811 13:24:13 -40.803306 0.150428 BFGS: 8812 13:24:13 -40.798928 0.140663 BFGS: 8813 13:24:13 -40.799761 0.108621 BFGS: 8814 13:24:13 -40.802495 0.135797 BFGS: 8815 13:24:13 -40.803306 0.150427 BFGS: 8816 13:24:13 -40.798928 0.140656 BFGS: 8817 13:24:13 -40.799761 0.108619 BFGS: 8818 13:24:13 -40.802495 0.135802 BFGS: 8819 13:24:13 -40.803306 0.150426 BFGS: 8820 13:24:13 -40.798928 0.140649 BFGS: 8821 13:24:13 -40.799761 0.108616 BFGS: 8822 13:24:13 -40.802496 0.135808 BFGS: 8823 13:24:13 -40.803307 0.150424 BFGS: 8824 13:24:13 -40.798928 0.140643 BFGS: 8825 13:24:13 -40.799761 0.108614 BFGS: 8826 13:24:13 -40.802496 0.135813 BFGS: 8827 13:24:13 -40.803307 0.150423 BFGS: 8828 13:24:13 -40.798928 0.140636 BFGS: 8829 13:24:13 -40.799761 0.108612 BFGS: 8830 13:24:13 -40.802496 0.135819 BFGS: 8831 13:24:13 -40.803307 0.150421 BFGS: 8832 13:24:13 -40.798928 0.140629 BFGS: 8833 13:24:13 -40.799761 0.108609 BFGS: 8834 13:24:13 -40.802496 0.135824 BFGS: 8835 13:24:13 -40.803307 0.150420 BFGS: 8836 13:24:13 -40.798928 0.140623 BFGS: 8837 13:24:13 -40.799761 0.108607 BFGS: 8838 13:24:13 -40.802496 0.135830 BFGS: 8839 13:24:13 -40.803307 0.150418 BFGS: 8840 13:24:13 -40.798928 0.140616 BFGS: 8841 13:24:13 -40.799761 0.108605 BFGS: 8842 13:24:13 -40.802496 0.135836 BFGS: 8843 13:24:13 -40.803307 0.150417 BFGS: 8844 13:24:13 -40.798928 0.140609 BFGS: 8845 13:24:13 -40.799761 0.108602 BFGS: 8846 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13:24:14 -40.803308 0.150406 BFGS: 8872 13:24:14 -40.798929 0.140562 BFGS: 8873 13:24:14 -40.799762 0.108586 BFGS: 8874 13:24:14 -40.802497 0.135880 BFGS: 8875 13:24:14 -40.803308 0.150405 BFGS: 8876 13:24:14 -40.798929 0.140555 BFGS: 8877 13:24:14 -40.799762 0.108583 BFGS: 8878 13:24:14 -40.802497 0.135886 BFGS: 8879 13:24:14 -40.803309 0.150403 BFGS: 8880 13:24:14 -40.798929 0.140549 BFGS: 8881 13:24:14 -40.799762 0.108581 BFGS: 8882 13:24:14 -40.802497 0.135891 BFGS: 8883 13:24:14 -40.803309 0.150402 BFGS: 8884 13:24:14 -40.798929 0.140542 BFGS: 8885 13:24:14 -40.799762 0.108579 BFGS: 8886 13:24:14 -40.802497 0.135897 BFGS: 8887 13:24:14 -40.803309 0.150400 BFGS: 8888 13:24:14 -40.798929 0.140535 BFGS: 8889 13:24:14 -40.799762 0.108576 BFGS: 8890 13:24:14 -40.802497 0.135902 BFGS: 8891 13:24:14 -40.803309 0.150399 BFGS: 8892 13:24:14 -40.798929 0.140528 BFGS: 8893 13:24:14 -40.799762 0.108574 BFGS: 8894 13:24:14 -40.802497 0.135908 BFGS: 8895 13:24:14 -40.803309 0.150397 BFGS: 8896 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13:24:15 -40.799763 0.108557 BFGS: 8922 13:24:15 -40.802498 0.135947 BFGS: 8923 13:24:15 -40.803310 0.150386 BFGS: 8924 13:24:15 -40.798929 0.140474 BFGS: 8925 13:24:15 -40.799763 0.108555 BFGS: 8926 13:24:15 -40.802498 0.135952 BFGS: 8927 13:24:15 -40.803310 0.150385 BFGS: 8928 13:24:15 -40.798929 0.140467 BFGS: 8929 13:24:15 -40.799763 0.108552 BFGS: 8930 13:24:15 -40.802498 0.135958 BFGS: 8931 13:24:15 -40.803311 0.150383 BFGS: 8932 13:24:15 -40.798929 0.140461 BFGS: 8933 13:24:15 -40.799763 0.108550 BFGS: 8934 13:24:15 -40.802498 0.135963 BFGS: 8935 13:24:15 -40.803311 0.150382 BFGS: 8936 13:24:15 -40.798929 0.140454 BFGS: 8937 13:24:15 -40.799763 0.108547 BFGS: 8938 13:24:15 -40.802498 0.135969 BFGS: 8939 13:24:15 -40.803311 0.150380 BFGS: 8940 13:24:15 -40.798929 0.140447 BFGS: 8941 13:24:15 -40.799763 0.108545 BFGS: 8942 13:24:15 -40.802498 0.135974 BFGS: 8943 13:24:15 -40.803311 0.150379 BFGS: 8944 13:24:15 -40.798929 0.140440 BFGS: 8945 13:24:15 -40.799763 0.108542 BFGS: 8946 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13:24:17 -40.798930 0.140179 BFGS: 9097 13:24:17 -40.799766 0.108447 BFGS: 9098 13:24:17 -40.802501 0.136189 BFGS: 9099 13:24:17 -40.803317 0.150316 BFGS: 9100 13:24:18 -40.798930 0.140172 BFGS: 9101 13:24:18 -40.799766 0.108444 BFGS: 9102 13:24:18 -40.802501 0.136194 BFGS: 9103 13:24:18 -40.803317 0.150314 BFGS: 9104 13:24:18 -40.798930 0.140165 BFGS: 9105 13:24:18 -40.799766 0.108442 BFGS: 9106 13:24:18 -40.802502 0.136200 BFGS: 9107 13:24:18 -40.803317 0.150313 BFGS: 9108 13:24:18 -40.798930 0.140158 BFGS: 9109 13:24:18 -40.799766 0.108439 BFGS: 9110 13:24:18 -40.802502 0.136205 BFGS: 9111 13:24:18 -40.803317 0.150311 BFGS: 9112 13:24:18 -40.798930 0.140151 BFGS: 9113 13:24:18 -40.799766 0.108437 BFGS: 9114 13:24:18 -40.802502 0.136211 BFGS: 9115 13:24:18 -40.803317 0.150309 BFGS: 9116 13:24:18 -40.798930 0.140144 BFGS: 9117 13:24:18 -40.799766 0.108434 BFGS: 9118 13:24:18 -40.802502 0.136216 BFGS: 9119 13:24:18 -40.803317 0.150308 BFGS: 9120 13:24:18 -40.798930 0.140137 BFGS: 9121 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13:24:28 -40.802513 0.137047 BFGS: 9747 13:24:28 -40.803339 0.150005 BFGS: 9748 13:24:28 -40.798934 0.138995 BFGS: 9749 13:24:28 -40.799777 0.107978 BFGS: 9750 13:24:28 -40.802513 0.137052 BFGS: 9751 13:24:28 -40.803339 0.150003 BFGS: 9752 13:24:28 -40.798934 0.138988 BFGS: 9753 13:24:28 -40.799777 0.107975 BFGS: 9754 13:24:28 -40.802513 0.137057 BFGS: 9755 13:24:28 -40.803339 0.150000 BFGS: 9756 13:24:28 -40.798934 0.138980 BFGS: 9757 13:24:29 -40.799777 0.107971 BFGS: 9758 13:24:29 -40.802513 0.137062 BFGS: 9759 13:24:29 -40.803340 0.149998 BFGS: 9760 13:24:29 -40.798934 0.138972 BFGS: 9761 13:24:29 -40.799777 0.107968 BFGS: 9762 13:24:29 -40.802513 0.137067 BFGS: 9763 13:24:29 -40.803340 0.149996 BFGS: 9764 13:24:29 -40.798934 0.138965 BFGS: 9765 13:24:29 -40.799777 0.107965 BFGS: 9766 13:24:29 -40.802513 0.137072 BFGS: 9767 13:24:29 -40.803340 0.149994 BFGS: 9768 13:24:29 -40.798934 0.138957 BFGS: 9769 13:24:29 -40.799777 0.107962 BFGS: 9770 13:24:29 -40.802513 0.137077 BFGS: 9771 13:24:29 -40.803340 0.149992 BFGS: 9772 13:24:29 -40.798934 0.138950 BFGS: 9773 13:24:29 -40.799777 0.107959 BFGS: 9774 13:24:29 -40.802513 0.137082 BFGS: 9775 13:24:29 -40.803340 0.149989 BFGS: 9776 13:24:29 -40.798934 0.138942 BFGS: 9777 13:24:29 -40.799778 0.107956 BFGS: 9778 13:24:29 -40.802514 0.137087 BFGS: 9779 13:24:29 -40.803340 0.149987 BFGS: 9780 13:24:29 -40.798934 0.138935 BFGS: 9781 13:24:29 -40.799778 0.107952 BFGS: 9782 13:24:29 -40.802514 0.137092 BFGS: 9783 13:24:29 -40.803340 0.149985 BFGS: 9784 13:24:29 -40.798934 0.138927 BFGS: 9785 13:24:29 -40.799778 0.107949 BFGS: 9786 13:24:29 -40.802514 0.137098 BFGS: 9787 13:24:29 -40.803340 0.149983 BFGS: 9788 13:24:29 -40.798934 0.138919 BFGS: 9789 13:24:29 -40.799778 0.107946 BFGS: 9790 13:24:29 -40.802514 0.137103 BFGS: 9791 13:24:29 -40.803341 0.149981 BFGS: 9792 13:24:29 -40.798934 0.138912 BFGS: 9793 13:24:29 -40.799778 0.107943 BFGS: 9794 13:24:29 -40.802514 0.137108 BFGS: 9795 13:24:29 -40.803341 0.149978 BFGS: 9796 13:24:29 -40.798934 0.138904 BFGS: 9797 13:24:29 -40.799778 0.107939 BFGS: 9798 13:24:29 -40.802514 0.137113 BFGS: 9799 13:24:29 -40.803341 0.149976 BFGS: 9800 13:24:29 -40.798934 0.138897 BFGS: 9801 13:24:29 -40.799778 0.107936 BFGS: 9802 13:24:29 -40.802514 0.137118 BFGS: 9803 13:24:29 -40.803341 0.149974 BFGS: 9804 13:24:29 -40.798934 0.138889 BFGS: 9805 13:24:29 -40.799778 0.107933 BFGS: 9806 13:24:29 -40.802514 0.137123 BFGS: 9807 13:24:29 -40.803341 0.149972 BFGS: 9808 13:24:29 -40.798934 0.138881 BFGS: 9809 13:24:29 -40.799778 0.107930 BFGS: 9810 13:24:29 -40.802514 0.137128 BFGS: 9811 13:24:29 -40.803341 0.149970 BFGS: 9812 13:24:29 -40.798934 0.138874 BFGS: 9813 13:24:29 -40.799778 0.107927 BFGS: 9814 13:24:29 -40.802514 0.137133 BFGS: 9815 13:24:29 -40.803341 0.149967 BFGS: 9816 13:24:29 -40.798934 0.138866 BFGS: 9817 13:24:30 -40.799778 0.107923 BFGS: 9818 13:24:30 -40.802514 0.137138 BFGS: 9819 13:24:30 -40.803342 0.149965 BFGS: 9820 13:24:30 -40.798934 0.138859 BFGS: 9821 13:24:30 -40.799778 0.107920 BFGS: 9822 13:24:30 -40.802514 0.137143 BFGS: 9823 13:24:30 -40.803342 0.149963 BFGS: 9824 13:24:30 -40.798934 0.138851 BFGS: 9825 13:24:30 -40.799778 0.107917 BFGS: 9826 13:24:30 -40.802514 0.137148 BFGS: 9827 13:24:30 -40.803342 0.149961 BFGS: 9828 13:24:30 -40.798934 0.138843 BFGS: 9829 13:24:30 -40.799778 0.107914 BFGS: 9830 13:24:30 -40.802514 0.137153 BFGS: 9831 13:24:30 -40.803342 0.149958 BFGS: 9832 13:24:30 -40.798934 0.138836 BFGS: 9833 13:24:30 -40.799778 0.107910 BFGS: 9834 13:24:30 -40.802514 0.137158 BFGS: 9835 13:24:30 -40.803342 0.149956 BFGS: 9836 13:24:30 -40.798934 0.138828 BFGS: 9837 13:24:30 -40.799779 0.107907 BFGS: 9838 13:24:30 -40.802514 0.137163 BFGS: 9839 13:24:30 -40.803342 0.149954 BFGS: 9840 13:24:30 -40.798934 0.138820 BFGS: 9841 13:24:30 -40.799779 0.107904 BFGS: 9842 13:24:30 -40.802515 0.137169 BFGS: 9843 13:24:30 -40.803342 0.149952 BFGS: 9844 13:24:30 -40.798934 0.138813 BFGS: 9845 13:24:30 -40.799779 0.107901 BFGS: 9846 13:24:30 -40.802515 0.137174 BFGS: 9847 13:24:30 -40.803342 0.149949 BFGS: 9848 13:24:30 -40.798934 0.138805 BFGS: 9849 13:24:30 -40.799779 0.107897 BFGS: 9850 13:24:30 -40.802515 0.137179 BFGS: 9851 13:24:30 -40.803343 0.149947 BFGS: 9852 13:24:30 -40.798934 0.138797 BFGS: 9853 13:24:30 -40.799779 0.107894 BFGS: 9854 13:24:30 -40.802515 0.137184 BFGS: 9855 13:24:30 -40.803343 0.149945 BFGS: 9856 13:24:30 -40.798934 0.138790 BFGS: 9857 13:24:30 -40.799779 0.107891 BFGS: 9858 13:24:30 -40.802515 0.137189 BFGS: 9859 13:24:30 -40.803343 0.149943 BFGS: 9860 13:24:30 -40.798934 0.138782 BFGS: 9861 13:24:30 -40.799779 0.107888 BFGS: 9862 13:24:30 -40.802515 0.137194 BFGS: 9863 13:24:30 -40.803343 0.149940 BFGS: 9864 13:24:30 -40.798934 0.138774 BFGS: 9865 13:24:30 -40.799779 0.107884 BFGS: 9866 13:24:30 -40.802515 0.137199 BFGS: 9867 13:24:30 -40.803343 0.149938 BFGS: 9868 13:24:30 -40.798934 0.138767 BFGS: 9869 13:24:30 -40.799779 0.107881 BFGS: 9870 13:24:30 -40.802515 0.137204 BFGS: 9871 13:24:30 -40.803343 0.149936 BFGS: 9872 13:24:30 -40.798934 0.138759 BFGS: 9873 13:24:30 -40.799779 0.107878 BFGS: 9874 13:24:30 -40.802515 0.137209 BFGS: 9875 13:24:30 -40.803343 0.149934 BFGS: 9876 13:24:30 -40.798934 0.138751 BFGS: 9877 13:24:31 -40.799779 0.107874 BFGS: 9878 13:24:31 -40.802515 0.137214 BFGS: 9879 13:24:31 -40.803344 0.149931 BFGS: 9880 13:24:31 -40.798934 0.138744 BFGS: 9881 13:24:31 -40.799779 0.107871 BFGS: 9882 13:24:31 -40.802515 0.137219 BFGS: 9883 13:24:31 -40.803344 0.149929 BFGS: 9884 13:24:31 -40.798934 0.138736 BFGS: 9885 13:24:31 -40.799779 0.107868 BFGS: 9886 13:24:31 -40.802515 0.137224 BFGS: 9887 13:24:31 -40.803344 0.149927 BFGS: 9888 13:24:31 -40.798934 0.138728 BFGS: 9889 13:24:31 -40.799779 0.107865 BFGS: 9890 13:24:31 -40.802515 0.137229 BFGS: 9891 13:24:31 -40.803344 0.149925 BFGS: 9892 13:24:31 -40.798934 0.138721 BFGS: 9893 13:24:31 -40.799780 0.107861 BFGS: 9894 13:24:31 -40.802515 0.137234 BFGS: 9895 13:24:31 -40.803344 0.149922 BFGS: 9896 13:24:31 -40.798934 0.138713 BFGS: 9897 13:24:31 -40.799780 0.107858 BFGS: 9898 13:24:31 -40.802515 0.137239 BFGS: 9899 13:24:31 -40.803344 0.149920 BFGS: 9900 13:24:31 -40.798934 0.138705 BFGS: 9901 13:24:31 -40.799780 0.107855 BFGS: 9902 13:24:31 -40.802515 0.137244 BFGS: 9903 13:24:31 -40.803344 0.149918 BFGS: 9904 13:24:31 -40.798934 0.138698 BFGS: 9905 13:24:31 -40.799780 0.107851 BFGS: 9906 13:24:31 -40.802516 0.137249 BFGS: 9907 13:24:31 -40.803344 0.149915 BFGS: 9908 13:24:31 -40.798935 0.138690 BFGS: 9909 13:24:31 -40.799780 0.107848 BFGS: 9910 13:24:31 -40.802516 0.137254 BFGS: 9911 13:24:31 -40.803345 0.149913 BFGS: 9912 13:24:31 -40.798935 0.138682 BFGS: 9913 13:24:31 -40.799780 0.107845 BFGS: 9914 13:24:31 -40.802516 0.137259 BFGS: 9915 13:24:31 -40.803345 0.149911 BFGS: 9916 13:24:31 -40.798935 0.138675 BFGS: 9917 13:24:31 -40.799780 0.107841 BFGS: 9918 13:24:31 -40.802516 0.137264 BFGS: 9919 13:24:31 -40.803345 0.149908 BFGS: 9920 13:24:31 -40.798935 0.138667 BFGS: 9921 13:24:31 -40.799780 0.107838 BFGS: 9922 13:24:31 -40.802516 0.137269 BFGS: 9923 13:24:31 -40.803345 0.149906 BFGS: 9924 13:24:31 -40.798935 0.138659 BFGS: 9925 13:24:31 -40.799780 0.107835 BFGS: 9926 13:24:31 -40.802516 0.137274 BFGS: 9927 13:24:31 -40.803345 0.149904 BFGS: 9928 13:24:31 -40.798935 0.138651 BFGS: 9929 13:24:31 -40.799780 0.107831 BFGS: 9930 13:24:31 -40.802516 0.137279 BFGS: 9931 13:24:31 -40.803345 0.149902 BFGS: 9932 13:24:31 -40.798935 0.138644 BFGS: 9933 13:24:31 -40.799780 0.107828 BFGS: 9934 13:24:31 -40.802516 0.137284 BFGS: 9935 13:24:31 -40.803345 0.149899 BFGS: 9936 13:24:31 -40.798935 0.138636 BFGS: 9937 13:24:32 -40.799780 0.107825 BFGS: 9938 13:24:32 -40.802516 0.137289 BFGS: 9939 13:24:32 -40.803345 0.149897 BFGS: 9940 13:24:32 -40.798935 0.138628 BFGS: 9941 13:24:32 -40.799780 0.107821 BFGS: 9942 13:24:32 -40.802516 0.137294 BFGS: 9943 13:24:32 -40.803346 0.149895 BFGS: 9944 13:24:32 -40.798935 0.138621 BFGS: 9945 13:24:32 -40.799780 0.107818 BFGS: 9946 13:24:32 -40.802516 0.137299 BFGS: 9947 13:24:32 -40.803346 0.149892 BFGS: 9948 13:24:32 -40.798935 0.138613 BFGS: 9949 13:24:32 -40.799780 0.107815 BFGS: 9950 13:24:32 -40.802516 0.137304 BFGS: 9951 13:24:32 -40.803346 0.149890 BFGS: 9952 13:24:32 -40.798935 0.138605 BFGS: 9953 13:24:32 -40.799781 0.107811 BFGS: 9954 13:24:32 -40.802516 0.137309 BFGS: 9955 13:24:32 -40.803346 0.149888 BFGS: 9956 13:24:32 -40.798935 0.138597 BFGS: 9957 13:24:32 -40.799781 0.107808 BFGS: 9958 13:24:32 -40.802516 0.137314 BFGS: 9959 13:24:32 -40.803346 0.149885 BFGS: 9960 13:24:32 -40.798935 0.138590 BFGS: 9961 13:24:32 -40.799781 0.107805 BFGS: 9962 13:24:32 -40.802516 0.137319 BFGS: 9963 13:24:32 -40.803346 0.149883 BFGS: 9964 13:24:32 -40.798935 0.138582 BFGS: 9965 13:24:32 -40.799781 0.107801 BFGS: 9966 13:24:32 -40.802516 0.137324 BFGS: 9967 13:24:32 -40.803346 0.149881 BFGS: 9968 13:24:32 -40.798935 0.138574 BFGS: 9969 13:24:32 -40.799781 0.107798 BFGS: 9970 13:24:32 -40.802516 0.137329 BFGS: 9971 13:24:32 -40.803347 0.149878 BFGS: 9972 13:24:32 -40.798935 0.138566 BFGS: 9973 13:24:32 -40.799781 0.107795 BFGS: 9974 13:24:32 -40.802517 0.137334 BFGS: 9975 13:24:32 -40.803347 0.149876 BFGS: 9976 13:24:32 -40.798935 0.138559 BFGS: 9977 13:24:32 -40.799781 0.107791 BFGS: 9978 13:24:32 -40.802517 0.137339 BFGS: 9979 13:24:32 -40.803347 0.149874 BFGS: 9980 13:24:32 -40.798935 0.138551 BFGS: 9981 13:24:32 -40.799781 0.107788 BFGS: 9982 13:24:32 -40.802517 0.137344 BFGS: 9983 13:24:32 -40.803347 0.149871 BFGS: 9984 13:24:32 -40.798935 0.138543 BFGS: 9985 13:24:32 -40.799781 0.107784 BFGS: 9986 13:24:32 -40.802517 0.137349 BFGS: 9987 13:24:32 -40.803347 0.149869 BFGS: 9988 13:24:32 -40.798935 0.138535 BFGS: 9989 13:24:32 -40.799781 0.107781 BFGS: 9990 13:24:32 -40.802517 0.137354 BFGS: 9991 13:24:32 -40.803347 0.149866 BFGS: 9992 13:24:32 -40.798935 0.138528 BFGS: 9993 13:24:32 -40.799781 0.107778 BFGS: 9994 13:24:32 -40.802517 0.137359 BFGS: 9995 13:24:32 -40.803347 0.149864 BFGS: 9996 13:24:32 -40.798935 0.138520 BFGS: 9997 13:24:33 -40.799781 0.107774 BFGS: 9998 13:24:33 -40.802517 0.137364 BFGS: 9999 13:24:33 -40.803347 0.149862 BFGS: 10000 13:24:33 -40.798935 0.138512 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.13088803831594145 eV/Angstrom Maximum stress component: 0.001819294185490024 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['N', 'N', 'N', 'N', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.9916977 0.25 0.8081253 ] [0.0083023 0.75 0.1918747 ] [0.64907771 0.25 0.18068632] [0.35092229 0.75 0.81931368] [0.94176457 0.25 0.60765763] [0.05823543 0.75 0.39234237] [0.48900998 0.25 0.35534849] [0.51099002 0.75 0.64465151] [0.25134437 0.93087555 0.92705165] [0.74865563 0.43087555 0.07294835] [0.74865563 0.06912445 0.07294835] [0.25134437 0.56912445 0.92705165]] cellpar = Cell([[6.014297200678047, 2.504811491252325e-17, -0.731350007202686], [-1.4655929017324676e-17, 6.0542369480715665, -2.0589353260778257e-17], [1.6427197191496679, -3.589105604694182e-18, 4.9760522065619215]]) forces = [[-2.03765431e-02 1.36859151e-19 -1.07543596e-01] [ 2.03765431e-02 -1.36859151e-19 1.07543596e-01] [ 2.03184154e-02 3.57110805e-20 2.17991112e-02] [-2.03184154e-02 -3.57110804e-20 -2.17991112e-02] [ 7.91687282e-02 4.65433616e-20 1.30888038e-01] [-7.91687282e-02 -4.65433616e-20 -1.30888038e-01] [-2.07845753e-02 -9.19854109e-20 5.21820678e-03] [ 2.07845753e-02 9.19854109e-20 -5.21820678e-03] [-3.43038235e-02 3.60696684e-02 9.84448517e-03] [ 3.43038235e-02 3.60696684e-02 -9.84448517e-03] [ 3.43038235e-02 -3.60696684e-02 -9.84448517e-03] [-3.43038235e-02 -3.60696684e-02 9.84448517e-03]] stress = [1.81929419e-03 1.57545816e-03 1.70141366e-03 2.70842701e-21 8.87506551e-04 7.27191840e-22] energy per atom = -3.3069649382332478 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0