element(s): ['C'] AFLOW prototype label: A_hP12_194_bc2f Parameter names: ['a', 'c/a', 'z3', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.4678', '13.950077', '0.86916696', '0.13083843'] model name: MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C'] representative atom coordinates = [[0. 0. 0.25 ] [0.33333333 0.66666667 0.25 ] [0.33333333 0.66666667 0.86916696] [0.33333333 0.66666667 0.13083843]] spacegroup = 194 cell = [[2.4678, 0, 0], [-1.2339, 2.1371774914592, 0], [0, 0, 34.426]] ========================================= Step Time Energy fmax BFGS: 0 15:23:52 116.220337 83.772918 BFGS: 1 15:23:52 108.008636 80.479928 BFGS: 2 15:23:52 100.118416 77.301412 BFGS: 3 15:23:52 92.287966 74.110746 BFGS: 4 15:23:52 84.550566 70.926743 BFGS: 5 15:23:52 77.378351 67.981420 BFGS: 6 15:23:52 70.569591 65.177024 BFGS: 7 15:23:52 64.042685 62.475001 BFGS: 8 15:23:52 57.771620 59.863962 BFGS: 9 15:23:52 51.742835 57.338552 BFGS: 10 15:23:52 45.945531 54.894712 BFGS: 11 15:23:52 40.369605 52.528679 BFGS: 12 15:23:52 35.005193 50.236755 BFGS: 13 15:23:52 29.842530 48.015251 BFGS: 14 15:23:52 24.871893 45.860447 BFGS: 15 15:23:52 20.083548 43.768570 BFGS: 16 15:23:52 15.467697 41.735769 BFGS: 17 15:23:52 11.014421 39.758078 BFGS: 18 15:23:52 6.713614 37.831386 BFGS: 19 15:23:52 2.554902 35.951391 BFGS: 20 15:23:52 -1.472441 34.113551 BFGS: 21 15:23:52 -5.379607 32.313022 BFGS: 22 15:23:52 -9.178380 30.544582 BFGS: 23 15:23:52 -12.881311 28.802529 BFGS: 24 15:23:52 -16.501934 27.136075 BFGS: 25 15:23:52 -20.055042 27.966121 BFGS: 26 15:23:52 -23.557053 28.761783 BFGS: 27 15:23:52 -27.026450 29.498468 BFGS: 28 15:23:52 -30.406272 30.142887 BFGS: 29 15:23:52 -33.423889 30.673619 BFGS: 30 15:23:52 -36.149046 31.084163 BFGS: 31 15:23:52 -38.642093 31.368408 BFGS: 32 15:23:52 -40.954598 31.516990 BFGS: 33 15:23:52 -43.130487 31.515099 BFGS: 34 15:23:52 -45.207198 31.340636 BFGS: 35 15:23:52 -47.216711 30.962113 BFGS: 36 15:23:52 -49.186273 30.335792 BFGS: 37 15:23:52 -51.138478 29.401746 BFGS: 38 15:23:52 -53.089978 28.078998 BFGS: 39 15:23:52 -55.047599 26.261125 BFGS: 40 15:23:52 -57.000233 23.816693 BFGS: 41 15:23:52 -58.905620 20.603449 BFGS: 42 15:23:52 -60.675367 16.506916 BFGS: 43 15:23:52 -62.168974 11.499501 BFGS: 44 15:23:52 -63.207114 5.676092 BFGS: 45 15:23:52 -63.589109 1.482958 BFGS: 46 15:23:52 -63.661984 1.429881 BFGS: 47 15:23:52 -63.739137 1.491019 BFGS: 48 15:23:52 -63.815773 1.369947 BFGS: 49 15:23:52 -63.931278 1.176696 BFGS: 50 15:23:52 -64.034799 1.410355 BFGS: 51 15:23:52 -64.130567 1.712857 BFGS: 52 15:23:52 -64.220338 1.911961 BFGS: 53 15:23:52 -64.305015 2.027976 BFGS: 54 15:23:52 -64.385085 2.072683 BFGS: 55 15:23:52 -64.460768 2.053332 BFGS: 56 15:23:52 -64.532095 1.974321 BFGS: 57 15:23:52 -64.598936 1.837854 BFGS: 58 15:23:52 -64.661024 1.643930 BFGS: 59 15:23:52 -64.717948 1.389487 BFGS: 60 15:23:52 -64.769129 1.065486 BFGS: 61 15:23:52 -64.813698 0.645321 BFGS: 62 15:23:52 -64.850417 0.424201 BFGS: 63 15:23:52 -64.885186 0.430624 BFGS: 64 15:23:52 -64.856389 2.412983 BFGS: 65 15:23:52 -64.952675 0.598967 BFGS: 66 15:23:52 -64.987256 0.547566 BFGS: 67 15:23:52 -64.925527 3.397705 BFGS: 68 15:23:52 -65.054657 0.637192 BFGS: 69 15:23:52 -65.090829 0.403793 BFGS: 70 15:23:52 -65.124415 0.618625 BFGS: 71 15:23:52 -65.155987 0.425959 BFGS: 72 15:23:52 -65.186424 0.500373 BFGS: 73 15:23:52 -64.613769 8.771691 BFGS: 74 15:23:52 -65.242327 0.756242 BFGS: 75 15:23:52 -65.274280 0.425515 BFGS: 76 15:23:52 -65.303801 0.204665 BFGS: 77 15:23:52 -65.329763 0.433835 BFGS: 78 15:23:52 -65.355102 0.615948 BFGS: 79 15:23:52 -65.383661 0.167606 BFGS: 80 15:23:52 -65.407910 0.476505 BFGS: 81 15:23:52 -65.431459 0.654698 BFGS: 82 15:23:52 -65.458972 0.303807 BFGS: 83 15:23:52 -65.484279 0.118579 BFGS: 84 15:23:52 -65.507589 0.294430 BFGS: 85 15:23:52 -65.529913 0.657767 BFGS: 86 15:23:52 -65.559243 0.159616 BFGS: 87 15:23:52 -65.581465 0.331690 BFGS: 88 15:23:52 -65.602327 0.604999 BFGS: 89 15:23:52 -65.626509 0.149346 BFGS: 90 15:23:52 -65.646930 0.468115 BFGS: 91 15:23:52 -65.666809 0.647615 BFGS: 92 15:23:52 -65.690329 0.182542 BFGS: 93 15:23:52 -65.709815 0.441271 BFGS: 94 15:23:52 -65.728828 0.612756 BFGS: 95 15:23:52 -65.750635 0.288717 BFGS: 96 15:23:52 -65.770727 0.100598 BFGS: 97 15:23:52 -65.789302 0.314695 BFGS: 98 15:23:52 -65.806521 0.602025 BFGS: 99 15:23:52 -65.823252 0.812382 BFGS: 100 15:23:52 -65.843551 0.596428 BFGS: 101 15:23:52 -65.861014 0.705081 BFGS: 102 15:23:52 -65.879866 0.534305 BFGS: 103 15:23:52 -65.897639 0.488936 BFGS: 104 15:23:52 -65.834754 3.764980 BFGS: 105 15:23:52 -65.930660 0.665196 BFGS: 106 15:23:52 -65.949129 0.392959 BFGS: 107 15:23:52 -65.966376 0.214482 BFGS: 108 15:23:52 -65.981638 0.431614 BFGS: 109 15:23:52 -65.996809 0.565908 BFGS: 110 15:23:52 -66.014387 0.156112 BFGS: 111 15:23:52 -66.029111 0.362794 BFGS: 112 15:23:52 -66.042892 0.624512 BFGS: 113 15:23:52 -66.056894 0.752688 BFGS: 114 15:23:52 -66.074865 0.180520 BFGS: 115 15:23:52 -66.088848 0.379162 BFGS: 116 15:23:52 -66.102256 0.574457 BFGS: 117 15:23:53 -66.117247 0.421854 BFGS: 118 15:23:53 -66.130214 0.649218 BFGS: 119 15:23:53 -66.144779 0.512213 BFGS: 120 15:23:53 -66.158686 0.478672 BFGS: 121 15:23:53 -66.034047 5.340507 BFGS: 122 15:23:53 -66.185102 0.606744 BFGS: 123 15:23:53 -66.199958 0.334575 BFGS: 124 15:23:53 -66.214019 0.277855 BFGS: 125 15:23:53 -66.226551 0.313492 BFGS: 126 15:23:53 -66.238734 0.496325 BFGS: 127 15:23:53 -66.249908 0.705405 BFGS: 128 15:23:53 -66.263309 0.517596 BFGS: 129 15:23:53 -66.275650 0.470164 BFGS: 130 15:23:53 -66.240402 3.225417 BFGS: 131 15:23:53 -66.298924 0.590905 BFGS: 132 15:23:53 -66.311814 0.359510 BFGS: 133 15:23:53 -66.324006 0.311516 BFGS: 134 15:23:53 -66.335012 0.376717 BFGS: 135 15:23:53 -66.345946 0.485261 BFGS: 136 15:23:53 -66.355470 0.824996 BFGS: 137 15:23:53 -66.368213 0.479721 BFGS: 138 15:23:53 -66.379417 0.418566 BFGS: 139 15:23:53 -66.368379 2.331302 BFGS: 140 15:23:53 -66.400549 0.523925 BFGS: 141 15:23:53 -66.412087 0.327276 BFGS: 142 15:23:53 -66.422902 0.462277 BFGS: 143 15:23:53 -66.433110 0.354356 BFGS: 144 15:23:53 -66.443277 0.407906 BFGS: 145 15:23:53 -66.430105 2.505366 BFGS: 146 15:23:53 -66.463419 0.473597 BFGS: 147 15:23:53 -66.474339 0.277359 BFGS: 148 15:23:53 -66.484610 0.495386 BFGS: 149 15:23:53 -66.494277 0.299934 BFGS: 150 15:23:53 -66.503892 0.360177 BFGS: 151 15:23:53 -66.499232 2.091351 BFGS: 152 15:23:53 -66.523091 0.409174 BFGS: 153 15:23:53 -66.533364 0.238364 BFGS: 154 15:23:53 -66.542819 0.643732 BFGS: 155 15:23:53 -66.552296 0.269501 BFGS: 156 15:23:53 -66.561589 0.292545 BFGS: 157 15:23:53 -66.356709 7.737362 BFGS: 158 15:23:53 -66.579673 0.411133 BFGS: 159 15:23:53 -66.589918 0.201197 BFGS: 160 15:23:53 -66.599634 0.409965 BFGS: 161 15:23:53 -66.608302 0.188475 BFGS: 162 15:23:53 -66.616717 0.311497 BFGS: 163 15:23:53 -66.626059 0.332275 BFGS: 164 15:23:53 -66.634243 0.227871 BFGS: 165 15:23:53 -66.642207 0.391114 BFGS: 166 15:23:53 -66.650196 0.577902 BFGS: 167 15:23:53 -66.658457 0.390581 BFGS: 168 15:23:53 -66.666490 0.384093 BFGS: 169 15:23:53 -64.689471 24.453487 BFGS: 170 15:23:53 -66.681608 0.559063 BFGS: 171 15:23:53 -66.690502 0.283505 BFGS: 172 15:23:53 -66.698809 0.243373 BFGS: 173 15:23:53 -66.706133 0.250675 BFGS: 174 15:23:53 -66.713231 0.427577 BFGS: 175 15:23:53 -66.721260 0.187207 BFGS: 176 15:23:53 -66.728165 0.339943 BFGS: 177 15:23:53 -66.734932 0.485758 BFGS: 178 15:23:53 -66.742817 0.179579 BFGS: 179 15:23:53 -66.749926 0.179200 BFGS: 180 15:23:53 -66.751379 1.323536 BFGS: 181 15:23:53 -66.762950 0.518633 BFGS: 182 15:23:53 -66.770429 0.349176 BFGS: 183 15:23:53 -66.777280 0.473972 BFGS: 184 15:23:53 -66.784040 0.382513 BFGS: 185 15:23:53 -66.790765 0.394143 BFGS: 186 15:23:53 -66.381263 11.567472 BFGS: 187 15:23:53 -66.803683 0.532303 BFGS: 188 15:23:53 -66.811154 0.266231 BFGS: 189 15:23:53 -66.818137 0.191504 BFGS: 190 15:23:53 -66.824331 0.249128 BFGS: 191 15:23:53 -66.830283 0.442424 BFGS: 192 15:23:53 -66.837108 0.182512 BFGS: 193 15:23:53 -66.843244 0.187126 BFGS: 194 15:23:53 -66.849389 0.250055 BFGS: 195 15:23:53 -66.855091 0.398603 BFGS: 196 15:23:53 -66.860982 0.459908 BFGS: 197 15:23:53 -66.862400 1.337688 BFGS: 198 15:23:53 -66.872966 0.464630 BFGS: 199 15:23:53 -66.879251 0.338000 BFGS: 200 15:23:53 -66.884488 0.673468 BFGS: 201 15:23:53 -66.890899 0.394027 BFGS: 202 15:23:53 -66.896842 0.353909 BFGS: 203 15:23:53 -66.877202 3.023322 BFGS: 204 15:23:53 -66.908172 0.447400 BFGS: 205 15:23:53 -66.914477 0.246662 BFGS: 206 15:23:53 -66.920481 0.349437 BFGS: 207 15:23:53 -66.925928 0.254851 BFGS: 208 15:23:53 -66.931338 0.356183 BFGS: 209 15:23:53 -66.936381 0.715388 BFGS: 210 15:23:53 -66.942464 0.340231 BFGS: 211 15:23:53 -66.948029 0.307199 BFGS: 212 15:23:53 -66.919966 3.559420 BFGS: 213 15:23:53 -66.958649 0.409543 BFGS: 214 15:23:53 -66.964599 0.202379 BFGS: 215 15:23:53 -66.970267 0.347276 BFGS: 216 15:23:53 -66.975370 0.207256 BFGS: 217 15:23:53 -66.980413 0.326562 BFGS: 218 15:23:53 -66.985879 0.451291 BFGS: 219 15:23:53 -66.990944 0.269823 BFGS: 220 15:23:53 -66.995960 0.320153 BFGS: 221 15:23:53 -66.992971 1.878193 BFGS: 222 15:23:53 -67.005964 0.376684 BFGS: 223 15:23:53 -67.011369 0.221616 BFGS: 224 15:23:53 -67.016386 0.513899 BFGS: 225 15:23:53 -67.021297 0.260099 BFGS: 226 15:23:53 -67.026186 0.285335 BFGS: 227 15:23:53 -66.972705 4.844382 BFGS: 228 15:23:53 -67.035752 0.380098 BFGS: 229 15:23:53 -67.041139 0.163761 BFGS: 230 15:23:53 -67.046249 0.317566 BFGS: 231 15:23:53 -67.050814 0.168023 BFGS: 232 15:23:53 -67.055284 0.311874 BFGS: 233 15:23:53 -67.060403 0.204090 BFGS: 234 15:23:53 -67.064791 0.195890 BFGS: 235 15:23:53 -67.068982 0.387200 BFGS: 236 15:23:53 -67.073755 0.125782 BFGS: 237 15:23:53 -67.077900 0.269029 BFGS: 238 15:23:53 -67.082143 0.541165 BFGS: 239 15:23:53 -67.087795 0.643970 BFGS: 240 15:23:53 -67.092633 0.964555 BFGS: 241 15:23:53 -67.095572 1.205792 BFGS: 242 15:23:53 -67.099224 1.297806 BFGS: 243 15:23:53 -67.096845 1.242976 BFGS: 244 15:23:53 -67.110351 0.647128 BFGS: 245 15:23:53 -67.114890 0.581663 BFGS: 246 15:23:53 -67.110507 1.976755 BFGS: 247 15:23:53 -67.123677 0.478648 BFGS: 248 15:23:53 -67.128059 0.328354 BFGS: 249 15:23:53 -67.132119 0.308289 BFGS: 250 15:23:53 -67.135957 0.404078 BFGS: 251 15:23:53 -67.139890 0.424400 BFGS: 252 15:23:53 -67.081946 5.124934 BFGS: 253 15:23:53 -67.147509 0.528585 BFGS: 254 15:23:53 -67.151852 0.303779 BFGS: 255 15:23:53 -67.155917 0.102761 BFGS: 256 15:23:53 -67.159507 0.335080 BFGS: 257 15:23:53 -67.163049 0.473657 BFGS: 258 15:23:53 -67.167159 0.291397 BFGS: 259 15:23:53 -67.171056 0.166437 BFGS: 260 15:23:53 -67.174541 0.362586 BFGS: 261 15:23:53 -67.178080 0.449771 BFGS: 262 15:23:53 -67.182093 0.235271 BFGS: 263 15:23:53 -67.185587 0.358438 BFGS: 264 15:23:53 -67.189090 0.427997 BFGS: 265 15:23:53 -67.192424 0.544251 BFGS: 266 15:23:53 -67.196303 0.414843 BFGS: 267 15:23:53 -67.199925 0.380219 BFGS: 268 15:23:53 -67.187307 2.707926 BFGS: 269 15:23:53 -67.206727 0.500612 BFGS: 270 15:23:53 -67.210569 0.309040 BFGS: 271 15:23:53 -67.214186 0.167766 BFGS: 272 15:23:53 -67.217404 0.355033 BFGS: 273 15:23:53 -67.220670 0.439819 BFGS: 274 15:23:53 -67.224364 0.237788 BFGS: 275 15:23:53 -67.227589 0.354138 BFGS: 276 15:23:53 -67.230829 0.418596 BFGS: 277 15:23:53 -67.233672 0.625633 BFGS: 278 15:23:54 -67.237467 0.418128 BFGS: 279 15:23:54 -67.240846 0.365219 BFGS: 280 15:23:54 -67.239077 1.568007 BFGS: 281 15:23:54 -67.247160 0.472692 BFGS: 282 15:23:54 -67.250648 0.320762 BFGS: 283 15:23:54 -67.253886 0.294591 BFGS: 284 15:23:54 -67.256939 0.382332 BFGS: 285 15:23:54 -67.260067 0.403080 BFGS: 286 15:23:54 -67.224376 4.317602 BFGS: 287 15:23:54 -67.266142 0.499758 BFGS: 288 15:23:54 -67.269598 0.290366 BFGS: 289 15:23:54 -67.272841 0.105974 BFGS: 290 15:23:54 -67.275706 0.323163 BFGS: 291 15:23:54 -67.278548 0.448054 BFGS: 292 15:23:54 -67.281884 0.227771 BFGS: 293 15:23:54 -67.285002 0.011558 BFGS: 294 15:23:54 -67.287846 0.263969 BFGS: 295 15:23:54 -67.290447 0.497774 BFGS: 296 15:23:54 -67.292416 0.642303 BFGS: 297 15:23:54 -67.294907 0.964375 BFGS: 298 15:23:54 -67.296854 1.177790 BFGS: 299 15:23:54 -67.301696 0.658757 BFGS: 300 15:23:54 -67.305022 0.213843 BFGS: 301 15:23:54 -67.307653 0.392074 BFGS: 302 15:23:54 -67.310487 0.494783 BFGS: 303 15:23:54 -67.289284 2.976589 BFGS: 304 15:23:54 -67.316435 0.474016 BFGS: 305 15:23:54 -67.319341 0.390963 BFGS: 306 15:23:54 -67.322086 0.068641 BFGS: 307 15:23:54 -67.324564 0.491003 BFGS: 308 15:23:54 -67.326974 0.634613 BFGS: 309 15:23:54 -67.330552 0.217320 BFGS: 310 15:23:54 -67.333390 0.090744 BFGS: 311 15:23:54 -67.336109 0.061420 BFGS: 312 15:23:54 -67.338769 0.093066 BFGS: 313 15:23:54 -67.341133 0.409453 BFGS: 314 15:23:54 -67.343694 0.456511 BFGS: 315 15:23:54 -67.298778 4.998715 BFGS: 316 15:23:54 -67.348880 0.486701 BFGS: 317 15:23:54 -67.351776 0.281313 BFGS: 318 15:23:54 -67.354484 0.072480 BFGS: 319 15:23:54 -67.356884 0.310606 BFGS: 320 15:23:54 -67.359233 0.448510 BFGS: 321 15:23:54 -67.362016 0.283438 BFGS: 322 15:23:54 -67.364641 0.196442 BFGS: 323 15:23:54 -67.367006 0.334608 BFGS: 324 15:23:54 -67.369426 0.394728 BFGS: 325 15:23:54 -67.370445 0.968025 BFGS: 326 15:23:54 -67.374345 0.417870 BFGS: 327 15:23:54 -67.376942 0.316647 BFGS: 328 15:23:54 -67.379052 0.530401 BFGS: 329 15:23:54 -67.381711 0.393349 BFGS: 330 15:23:54 -67.384195 0.344411 BFGS: 331 15:23:54 -67.382677 1.501897 BFGS: 332 15:23:54 -67.388851 0.437933 BFGS: 333 15:23:54 -67.391424 0.295074 BFGS: 334 15:23:54 -67.393821 0.272122 BFGS: 335 15:23:54 -67.396073 0.350839 BFGS: 336 15:23:54 -67.398381 0.373560 BFGS: 337 15:23:54 -67.382167 3.237930 BFGS: 338 15:23:54 -67.402891 0.457085 BFGS: 339 15:23:54 -67.405441 0.270812 BFGS: 340 15:23:54 -67.407841 0.122079 BFGS: 341 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BFGS: 1729 15:24:03 -68.076380 0.183441 BFGS: 1730 15:24:03 -68.075416 1.710407 BFGS: 1731 15:24:03 -68.076572 0.232490 BFGS: 1732 15:24:03 -68.076683 0.141843 BFGS: 1733 15:24:03 -68.076787 0.052536 BFGS: 1734 15:24:03 -68.076879 0.158326 BFGS: 1735 15:24:03 -68.076971 0.214574 BFGS: 1736 15:24:03 -68.077080 0.125044 BFGS: 1737 15:24:03 -68.077183 0.053155 BFGS: 1738 15:24:03 -68.077275 0.149871 BFGS: 1739 15:24:03 -68.077365 0.223050 BFGS: 1740 15:24:03 -68.077463 0.221932 BFGS: 1741 15:24:03 -67.923198 21.171700 BFGS: 1742 15:24:03 -68.077656 0.246873 BFGS: 1743 15:24:03 -68.077768 0.136667 BFGS: 1744 15:24:03 -68.077871 0.053921 BFGS: 1745 15:24:03 -68.077963 0.137953 BFGS: 1746 15:24:03 -68.078050 0.230464 BFGS: 1747 15:24:03 -68.078136 0.295118 BFGS: 1748 15:24:03 -68.078250 0.197413 BFGS: 1749 15:24:03 -68.078356 0.085983 BFGS: 1750 15:24:03 -68.078449 0.166186 BFGS: 1751 15:24:03 -68.078542 0.194567 BFGS: 1752 15:24:03 -68.078630 0.231478 BFGS: 1753 15:24:03 -68.078737 0.191270 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BFGS: 1804 15:24:03 -68.083548 0.182712 BFGS: 1805 15:24:03 -68.083639 0.180796 BFGS: 1806 15:24:03 -68.051348 9.757300 BFGS: 1807 15:24:03 -68.083815 0.235080 BFGS: 1808 15:24:03 -68.083919 0.129204 BFGS: 1809 15:24:03 -68.084015 0.058401 BFGS: 1810 15:24:03 -68.084101 0.133220 BFGS: 1811 15:24:03 -68.084182 0.223879 BFGS: 1812 15:24:03 -68.084262 0.287048 BFGS: 1813 15:24:03 -68.084368 0.189207 BFGS: 1814 15:24:03 -68.084467 0.080285 BFGS: 1815 15:24:03 -68.084553 0.159317 BFGS: 1816 15:24:03 -68.084640 0.190195 BFGS: 1817 15:24:03 -68.084732 0.163055 BFGS: 1818 15:24:03 -68.084823 0.176169 BFGS: 1819 15:24:03 -68.084914 0.175410 BFGS: 1820 15:24:03 -67.889354 24.428987 BFGS: 1821 15:24:03 -68.085086 0.237520 BFGS: 1822 15:24:03 -68.085188 0.130879 BFGS: 1823 15:24:03 -68.085283 0.059184 BFGS: 1824 15:24:03 -68.085368 0.132886 BFGS: 1825 15:24:03 -68.085448 0.220428 BFGS: 1826 15:24:03 -68.085529 0.275651 BFGS: 1827 15:24:03 -68.085638 0.120302 BFGS: 1828 15:24:03 -68.085732 0.060144 BFGS: 1829 15:24:03 -68.085820 0.075429 BFGS: 1830 15:24:03 -68.085911 0.060153 BFGS: 1831 15:24:03 -68.086000 0.060439 BFGS: 1832 15:24:03 -68.086086 0.092342 BFGS: 1833 15:24:03 -68.086166 0.198681 BFGS: 1834 15:24:03 -68.086256 0.191387 BFGS: 1835 15:24:03 -68.083982 2.634367 BFGS: 1836 15:24:03 -68.086429 0.223789 BFGS: 1837 15:24:03 -68.086529 0.128988 BFGS: 1838 15:24:03 -68.086622 0.059773 BFGS: 1839 15:24:03 -68.086705 0.140982 BFGS: 1840 15:24:03 -68.086786 0.210012 BFGS: 1841 15:24:03 -68.086875 0.200824 BFGS: 1842 15:24:03 -68.085353 2.179686 BFGS: 1843 15:24:03 -68.087049 0.221198 BFGS: 1844 15:24:03 -68.087147 0.129718 BFGS: 1845 15:24:03 -68.087240 0.060046 BFGS: 1846 15:24:03 -68.087322 0.143826 BFGS: 1847 15:24:03 -68.087403 0.206350 BFGS: 1848 15:24:03 -68.087495 0.166953 BFGS: 1849 15:24:03 -68.087554 0.321089 BFGS: 1850 15:24:03 -68.087667 0.193177 BFGS: 1851 15:24:03 -68.087758 0.158073 BFGS: 1852 15:24:03 -68.087810 0.346860 BFGS: 1853 15:24:03 -68.087929 0.196115 BFGS: 1854 15:24:03 -68.088020 0.156466 BFGS: 1855 15:24:03 -68.088085 0.288852 BFGS: 1856 15:24:03 -68.088190 0.191992 BFGS: 1857 15:24:03 -68.088281 0.160245 BFGS: 1858 15:24:03 -68.088318 0.403161 BFGS: 1859 15:24:03 -68.088450 0.198711 BFGS: 1860 15:24:03 -68.088542 0.153001 BFGS: 1861 15:24:03 -68.088616 0.226246 BFGS: 1862 15:24:03 -68.088711 0.186319 BFGS: 1863 15:24:03 -68.088800 0.165328 BFGS: 1864 15:24:03 -68.088727 0.696476 BFGS: 1865 15:24:03 -68.088967 0.207953 BFGS: 1866 15:24:03 -68.089060 0.142444 BFGS: 1867 15:24:03 -68.089148 0.104354 BFGS: 1868 15:24:03 -68.089229 0.168368 BFGS: 1869 15:24:03 -68.089314 0.181876 BFGS: 1870 15:24:03 -68.089111 0.935818 BFGS: 1871 15:24:03 -68.089481 0.210581 BFGS: 1872 15:24:03 -68.089575 0.137447 BFGS: 1873 15:24:03 -68.089664 0.073720 BFGS: 1874 15:24:03 -68.089743 0.160636 BFGS: 1875 15:24:03 -68.089826 0.188384 BFGS: 1876 15:24:03 -68.089903 0.228515 BFGS: 1877 15:24:03 -68.089997 0.179886 BFGS: 1878 15:24:03 -68.090084 0.163327 BFGS: 1879 15:24:03 -68.089901 0.899457 BFGS: 1880 15:24:03 -68.090248 0.210937 BFGS: 1881 15:24:03 -68.090340 0.137669 BFGS: 1882 15:24:04 -68.090428 0.073823 BFGS: 1883 15:24:04 -68.090507 0.160066 BFGS: 1884 15:24:04 -68.090589 0.187764 BFGS: 1885 15:24:04 -68.090665 0.227526 BFGS: 1886 15:24:04 -68.090758 0.179294 BFGS: 1887 15:24:04 -68.090844 0.162883 BFGS: 1888 15:24:04 -68.090660 0.904518 BFGS: 1889 15:24:04 -68.091007 0.210425 BFGS: 1890 15:24:04 -68.091099 0.137114 BFGS: 1891 15:24:04 -68.091186 0.073028 BFGS: 1892 15:24:04 -68.091264 0.159363 BFGS: 1893 15:24:04 -68.091345 0.187392 BFGS: 1894 15:24:04 -68.091422 0.217519 BFGS: 1895 15:24:04 -68.091513 0.177613 BFGS: 1896 15:24:04 -68.091598 0.163298 BFGS: 1897 15:24:04 -68.091315 1.056244 BFGS: 1898 15:24:04 -68.091759 0.211755 BFGS: 1899 15:24:04 -68.091850 0.134490 BFGS: 1900 15:24:04 -68.091937 0.062266 BFGS: 1901 15:24:04 -68.092014 0.154842 BFGS: 1902 15:24:04 -68.092093 0.190427 BFGS: 1903 15:24:04 -68.092185 0.072906 BFGS: 1904 15:24:04 -68.092263 0.150010 BFGS: 1905 15:24:04 -68.092342 0.185150 BFGS: 1906 15:24:04 -68.092433 0.074087 BFGS: 1907 15:24:04 -68.092511 0.150767 BFGS: 1908 15:24:04 -68.092590 0.184729 BFGS: 1909 15:24:04 -68.092679 0.092335 BFGS: 1910 15:24:04 -68.092757 0.155422 BFGS: 1911 15:24:04 -68.092837 0.180244 BFGS: 1912 15:24:04 -68.092900 0.288520 BFGS: 1913 15:24:04 -68.093000 0.184414 BFGS: 1914 15:24:04 -68.093085 0.156206 BFGS: 1915 15:24:04 -68.093105 0.450756 BFGS: 1916 15:24:04 -68.093244 0.197541 BFGS: 1917 15:24:04 -68.093331 0.147437 BFGS: 1918 15:24:04 -68.093407 0.184077 BFGS: 1919 15:24:04 -68.093491 0.178282 BFGS: 1920 15:24:04 -68.093574 0.166323 BFGS: 1921 15:24:04 -68.093095 1.312377 BFGS: 1922 15:24:04 -68.093731 0.212181 BFGS: 1923 15:24:04 -68.093821 0.130441 BFGS: 1924 15:24:04 -68.093906 0.063570 BFGS: 1925 15:24:04 -68.093981 0.148343 BFGS: 1926 15:24:04 -68.094057 0.193252 BFGS: 1927 15:24:04 -68.094149 0.065004 BFGS: 1928 15:24:04 -68.094228 0.090846 BFGS: 1929 15:24:04 -68.094308 0.097526 BFGS: 1930 15:24:04 -68.093952 1.155459 BFGS: 1931 15:24:04 -68.094458 0.214748 BFGS: 1932 15:24:04 -68.094547 0.131443 BFGS: 1933 15:24:04 -68.094631 0.063969 BFGS: 1934 15:24:04 -68.094706 0.146712 BFGS: 1935 15:24:04 -68.094782 0.192602 BFGS: 1936 15:24:04 -68.094872 0.065532 BFGS: 1937 15:24:04 -68.094951 0.080444 BFGS: 1938 15:24:04 -68.095033 0.064619 BFGS: 1939 15:24:04 -68.095107 0.139474 BFGS: 1940 15:24:04 -68.095180 0.205811 BFGS: 1941 15:24:04 -68.095261 0.190580 BFGS: 1942 15:24:04 -68.094897 1.180985 BFGS: 1943 15:24:04 -68.095418 0.207047 BFGS: 1944 15:24:04 -68.095506 0.129643 BFGS: 1945 15:24:04 -68.095589 0.064302 BFGS: 1946 15:24:04 -68.095663 0.150023 BFGS: 1947 15:24:04 -68.095738 0.188007 BFGS: 1948 15:24:04 -68.095827 0.064745 BFGS: 1949 15:24:04 -68.095902 0.133299 BFGS: 1950 15:24:04 -68.095975 0.194237 BFGS: 1951 15:24:04 -68.096057 0.159597 BFGS: 1952 15:24:04 -68.096101 0.359528 BFGS: 1953 15:24:04 -68.096212 0.188598 BFGS: 1954 15:24:04 -68.096295 0.148693 BFGS: 1955 15:24:04 -68.096356 0.267806 BFGS: 1956 15:24:04 -68.096448 0.183404 BFGS: 1957 15:24:04 -68.096530 0.154908 BFGS: 1958 15:24:04 -68.096550 0.443629 BFGS: 1959 15:24:04 -68.096682 0.193242 BFGS: 1960 15:24:04 -68.096766 0.144273 BFGS: 1961 15:24:04 -68.096838 0.187616 BFGS: 1962 15:24:04 -68.096919 0.175131 BFGS: 1963 15:24:04 -68.096998 0.162357 BFGS: 1964 15:24:04 -68.096627 1.191435 BFGS: 1965 15:24:04 -68.097149 0.207239 BFGS: 1966 15:24:04 -68.097235 0.128307 BFGS: 1967 15:24:04 -68.097316 0.065222 BFGS: 1968 15:24:04 -68.097388 0.146967 BFGS: 1969 15:24:04 -68.097462 0.187706 BFGS: 1970 15:24:04 -68.097550 0.066124 BFGS: 1971 15:24:04 -68.097623 0.114962 BFGS: 1972 15:24:04 -68.097691 0.214308 BFGS: 1973 15:24:04 -68.097753 0.305887 BFGS: 1974 15:24:04 -68.097818 0.363668 BFGS: 1975 15:24:04 -68.097929 0.167135 BFGS: 1976 15:24:04 -68.098014 0.066563 BFGS: 1977 15:24:04 -68.098089 0.096446 BFGS: 1978 15:24:04 -68.098160 0.167125 BFGS: 1979 15:24:04 -68.098235 0.190265 BFGS: 1980 15:24:04 -68.098276 0.381359 BFGS: 1981 15:24:04 -68.098390 0.178458 BFGS: 1982 15:24:04 -68.098470 0.140878 BFGS: 1983 15:24:04 -68.098527 0.287010 BFGS: 1984 15:24:04 -68.098620 0.178612 BFGS: 1985 15:24:04 -68.098700 0.147506 BFGS: 1986 15:24:04 -68.098735 0.391777 BFGS: 1987 15:24:04 -68.098849 0.184265 BFGS: 1988 15:24:04 -68.098930 0.140679 BFGS: 1989 15:24:04 -68.098995 0.232347 BFGS: 1990 15:24:04 -68.099079 0.173122 BFGS: 1991 15:24:04 -68.099158 0.151710 BFGS: 1992 15:24:04 -68.099112 0.638660 BFGS: 1993 15:24:04 -68.099306 0.192452 BFGS: 1994 15:24:04 -68.099388 0.131158 BFGS: 1995 15:24:04 -68.099465 0.118078 BFGS: 1996 15:24:04 -68.099537 0.157016 BFGS: 1997 15:24:04 -68.099612 0.166424 BFGS: 1998 15:24:04 -68.099059 1.425260 BFGS: 1999 15:24:04 -68.099759 0.201423 BFGS: 2000 15:24:04 -68.099843 0.119800 BFGS: 2001 15:24:04 -68.099922 0.066228 BFGS: 2002 15:24:04 -68.099992 0.136753 BFGS: 2003 15:24:04 -68.100063 0.183935 BFGS: 2004 15:24:04 -68.100148 0.067930 BFGS: 2005 15:24:04 -68.100223 0.067782 BFGS: 2006 15:24:04 -68.100260 0.350939 BFGS: 2007 15:24:04 -68.100362 0.197861 BFGS: 2008 15:24:04 -68.100443 0.143731 BFGS: 2009 15:24:04 -68.100514 0.173307 BFGS: 2010 15:24:04 -68.100590 0.163423 BFGS: 2011 15:24:04 -68.100666 0.156594 BFGS: 2012 15:24:04 -68.099087 2.312879 BFGS: 2013 15:24:04 -68.100810 0.204744 BFGS: 2014 15:24:04 -68.100893 0.114795 BFGS: 2015 15:24:04 -68.100971 0.066848 BFGS: 2016 15:24:04 -68.101041 0.126494 BFGS: 2017 15:24:04 -68.101109 0.190891 BFGS: 2018 15:24:04 -68.101185 0.175556 BFGS: 2019 15:24:04 -68.100893 1.100153 BFGS: 2020 15:24:04 -68.101331 0.196003 BFGS: 2021 15:24:04 -68.101412 0.121198 BFGS: 2022 15:24:04 -68.101490 0.066472 BFGS: 2023 15:24:04 -68.101559 0.141619 BFGS: 2024 15:24:04 -68.101629 0.176672 BFGS: 2025 15:24:04 -68.101711 0.070697 BFGS: 2026 15:24:04 -68.101780 0.134651 BFGS: 2027 15:24:04 -68.101850 0.173484 BFGS: 2028 15:24:04 -68.101933 0.067316 BFGS: 2029 15:24:04 -68.102003 0.113666 BFGS: 2030 15:24:04 -68.102068 0.195933 BFGS: 2031 15:24:04 -68.102135 0.247105 BFGS: 2032 15:24:04 -68.102224 0.092669 BFGS: 2033 15:24:04 -68.102300 0.068264 BFGS: 2034 15:24:04 -68.102373 0.067991 BFGS: 2035 15:24:04 -68.102446 0.067597 BFGS: 2036 15:24:04 -68.102514 0.129120 BFGS: 2037 15:24:04 -68.102579 0.202960 BFGS: 2038 15:24:04 -68.102650 0.222740 BFGS: 2039 15:24:04 -68.102615 0.633298 BFGS: 2040 15:24:05 -68.102801 0.180842 BFGS: 2041 15:24:05 -68.102878 0.126817 BFGS: 2042 15:24:05 -68.102950 0.144526 BFGS: 2043 15:24:05 -68.103021 0.158368 BFGS: 2044 15:24:05 -68.103093 0.158167 BFGS: 2045 15:24:05 -65.841524 90.211317 BFGS: 2046 15:24:05 -68.103231 0.220028 BFGS: 2047 15:24:05 -68.103314 0.121050 BFGS: 2048 15:24:05 -68.103390 0.067586 BFGS: 2049 15:24:05 -68.103458 0.120425 BFGS: 2050 15:24:05 -68.103523 0.189424 BFGS: 2051 15:24:05 -68.103595 0.196230 BFGS: 2052 15:24:05 -68.101711 2.544467 BFGS: 2053 15:24:05 -68.103738 0.200167 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-68.223691 0.058501 BFGS: 9778 15:24:53 -68.223695 0.042556 BFGS: 9779 15:24:53 -68.223698 0.069310 BFGS: 9780 15:24:53 -68.223701 0.078981 BFGS: 9781 15:24:53 -68.223702 0.191656 BFGS: 9782 15:24:53 -68.223708 0.083311 BFGS: 9783 15:24:53 -68.223711 0.063539 BFGS: 9784 15:24:53 -68.223714 0.107990 BFGS: 9785 15:24:53 -68.223717 0.079458 BFGS: 9786 15:24:53 -68.223721 0.069419 BFGS: 9787 15:24:53 -68.223719 0.288529 BFGS: 9788 15:24:53 -68.223727 0.088062 BFGS: 9789 15:24:53 -68.223731 0.060156 BFGS: 9790 15:24:53 -68.223734 0.056372 BFGS: 9791 15:24:53 -68.223737 0.072322 BFGS: 9792 15:24:53 -68.223740 0.076125 BFGS: 9793 15:24:53 -68.223706 0.775484 BFGS: 9794 15:24:53 -68.223747 0.093164 BFGS: 9795 15:24:53 -68.223750 0.054007 BFGS: 9796 15:24:53 -68.223754 0.018507 BFGS: 9797 15:24:53 -68.223757 0.061160 BFGS: 9798 15:24:53 -68.223760 0.086124 BFGS: 9799 15:24:53 -68.223763 0.052868 BFGS: 9800 15:24:53 -68.223767 0.028759 BFGS: 9801 15:24:53 -68.223770 0.065881 BFGS: 9802 15:24:53 -68.223773 0.082620 BFGS: 9803 15:24:53 -68.223776 0.026493 BFGS: 9804 15:24:53 -68.223780 0.060537 BFGS: 9805 15:24:53 -68.223783 0.082582 BFGS: 9806 15:24:53 -68.223786 0.031407 BFGS: 9807 15:24:53 -68.223789 0.018802 BFGS: 9808 15:24:53 -68.223793 0.023955 BFGS: 9809 15:24:53 -68.223796 0.075978 BFGS: 9810 15:24:53 -68.223799 0.085711 BFGS: 9811 15:24:53 -68.223800 0.208791 BFGS: 9812 15:24:53 -68.223805 0.083226 BFGS: 9813 15:24:53 -68.223809 0.062568 BFGS: 9814 15:24:53 -68.223812 0.098823 BFGS: 9815 15:24:53 -68.223815 0.078496 BFGS: 9816 15:24:53 -68.223818 0.070227 BFGS: 9817 15:24:53 -68.223814 0.364962 BFGS: 9818 15:24:53 -68.223825 0.089518 BFGS: 9819 15:24:53 -68.223828 0.058276 BFGS: 9820 15:24:53 -68.223832 0.042147 BFGS: 9821 15:24:53 -68.223835 0.069093 BFGS: 9822 15:24:53 -68.223838 0.078887 BFGS: 9823 15:24:53 -68.223839 0.185645 BFGS: 9824 15:24:53 -68.223844 0.082822 BFGS: 9825 15:24:53 -68.223848 0.063671 BFGS: 9826 15:24:53 -68.223850 0.113170 BFGS: 9827 15:24:53 -68.223854 0.079793 BFGS: 9828 15:24:53 -68.223857 0.068766 BFGS: 9829 15:24:53 -68.223857 0.254864 BFGS: 9830 15:24:53 -68.223864 0.086969 BFGS: 9831 15:24:53 -68.223867 0.061026 BFGS: 9832 15:24:53 -68.223870 0.065820 BFGS: 9833 15:24:53 -68.223873 0.073878 BFGS: 9834 15:24:53 -68.223877 0.074351 BFGS: 9835 15:24:53 -68.220355 7.480890 BFGS: 9836 15:24:53 -68.223883 0.097247 BFGS: 9837 15:24:53 -68.223887 0.049843 BFGS: 9838 15:24:53 -68.223890 0.002524 BFGS: 9839 15:24:53 -68.223893 0.050962 BFGS: 9840 15:24:53 -68.223896 0.001280 BFGS: 9841 15:24:53 -68.223900 0.047360 BFGS: 9842 15:24:53 -68.223903 0.002248 BFGS: 9843 15:24:53 -68.223906 0.046185 BFGS: 9844 15:24:53 -68.223909 0.001181 BFGS: 9845 15:24:53 -68.223912 0.049815 BFGS: 9846 15:24:53 -68.223916 0.002539 BFGS: 9847 15:24:53 -68.223919 0.050955 BFGS: 9848 15:24:53 -68.223922 0.001273 BFGS: 9849 15:24:53 -68.223925 0.047347 BFGS: 9850 15:24:53 -68.223929 0.002258 BFGS: 9851 15:24:53 -68.223932 0.046153 BFGS: 9852 15:24:53 -68.223935 0.001174 BFGS: 9853 15:24:53 -68.223938 0.049787 BFGS: 9854 15:24:53 -68.223942 0.002553 BFGS: 9855 15:24:53 -68.223945 0.050947 BFGS: 9856 15:24:53 -68.223948 0.001267 BFGS: 9857 15:24:53 -68.223951 0.047333 BFGS: 9858 15:24:53 -68.223954 0.002269 BFGS: 9859 15:24:53 -68.223958 0.046120 BFGS: 9860 15:24:53 -68.223961 0.001166 BFGS: 9861 15:24:53 -68.223964 0.049759 BFGS: 9862 15:24:53 -68.223967 0.002568 BFGS: 9863 15:24:53 -68.223970 0.050940 BFGS: 9864 15:24:53 -68.223974 0.001260 BFGS: 9865 15:24:53 -68.223977 0.047319 BFGS: 9866 15:24:53 -68.223980 0.002280 BFGS: 9867 15:24:53 -68.223983 0.046088 BFGS: 9868 15:24:53 -68.223987 0.001158 BFGS: 9869 15:24:53 -68.223990 0.049732 BFGS: 9870 15:24:53 -68.223993 0.002582 BFGS: 9871 15:24:53 -68.223996 0.050933 BFGS: 9872 15:24:53 -68.223999 0.001254 BFGS: 9873 15:24:53 -68.224003 0.047306 BFGS: 9874 15:24:53 -68.224006 0.002291 BFGS: 9875 15:24:53 -68.224009 0.046055 BFGS: 9876 15:24:53 -68.224012 0.001150 BFGS: 9877 15:24:53 -68.224015 0.049704 BFGS: 9878 15:24:53 -68.224019 0.002597 BFGS: 9879 15:24:53 -68.224022 0.050926 BFGS: 9880 15:24:53 -68.224025 0.001247 BFGS: 9881 15:24:53 -68.224028 0.047293 BFGS: 9882 15:24:53 -68.224031 0.002302 BFGS: 9883 15:24:53 -68.224035 0.046023 BFGS: 9884 15:24:53 -68.224038 0.001142 BFGS: 9885 15:24:53 -68.224041 0.049676 BFGS: 9886 15:24:53 -68.224044 0.002612 BFGS: 9887 15:24:53 -68.224047 0.050919 BFGS: 9888 15:24:53 -68.224051 0.001240 BFGS: 9889 15:24:53 -68.224054 0.047279 BFGS: 9890 15:24:53 -68.224057 0.002313 BFGS: 9891 15:24:53 -68.224060 0.045990 BFGS: 9892 15:24:53 -68.224063 0.001134 BFGS: 9893 15:24:53 -68.224067 0.049648 BFGS: 9894 15:24:53 -68.224070 0.002627 BFGS: 9895 15:24:53 -68.224073 0.050912 BFGS: 9896 15:24:53 -68.224076 0.001234 BFGS: 9897 15:24:53 -68.224079 0.047266 BFGS: 9898 15:24:53 -68.224083 0.002325 BFGS: 9899 15:24:53 -68.224086 0.045957 BFGS: 9900 15:24:53 -68.224089 0.001126 BFGS: 9901 15:24:53 -68.224092 0.049620 BFGS: 9902 15:24:53 -68.224095 0.002642 BFGS: 9903 15:24:53 -68.224098 0.050906 BFGS: 9904 15:24:53 -68.224102 0.001227 BFGS: 9905 15:24:53 -68.224105 0.047253 BFGS: 9906 15:24:53 -68.224108 0.002336 BFGS: 9907 15:24:53 -68.224111 0.045925 BFGS: 9908 15:24:53 -68.224115 0.001118 BFGS: 9909 15:24:53 -68.224118 0.049592 BFGS: 9910 15:24:53 -68.224121 0.002657 BFGS: 9911 15:24:53 -68.224124 0.050900 BFGS: 9912 15:24:53 -68.224127 0.001220 BFGS: 9913 15:24:53 -68.224130 0.047240 BFGS: 9914 15:24:53 -68.224134 0.002348 BFGS: 9915 15:24:53 -68.224137 0.045892 BFGS: 9916 15:24:53 -68.224140 0.001110 BFGS: 9917 15:24:53 -68.224143 0.049564 BFGS: 9918 15:24:53 -68.224146 0.002673 BFGS: 9919 15:24:54 -68.224149 0.050893 BFGS: 9920 15:24:54 -68.224153 0.001214 BFGS: 9921 15:24:54 -68.224156 0.047227 BFGS: 9922 15:24:54 -68.224159 0.002359 BFGS: 9923 15:24:54 -68.224162 0.045859 BFGS: 9924 15:24:54 -68.224165 0.001101 BFGS: 9925 15:24:54 -68.224168 0.049536 BFGS: 9926 15:24:54 -68.224172 0.002688 BFGS: 9927 15:24:54 -68.224175 0.050887 BFGS: 9928 15:24:54 -68.224178 0.001207 BFGS: 9929 15:24:54 -68.224181 0.047214 BFGS: 9930 15:24:54 -68.224184 0.002371 BFGS: 9931 15:24:54 -68.224187 0.045825 BFGS: 9932 15:24:54 -68.224191 0.001093 BFGS: 9933 15:24:54 -68.224194 0.049508 BFGS: 9934 15:24:54 -68.224197 0.002704 BFGS: 9935 15:24:54 -68.224200 0.050882 BFGS: 9936 15:24:54 -68.224203 0.001200 BFGS: 9937 15:24:54 -68.224207 0.047201 BFGS: 9938 15:24:54 -68.224210 0.002383 BFGS: 9939 15:24:54 -68.224213 0.045792 BFGS: 9940 15:24:54 -68.224216 0.001084 BFGS: 9941 15:24:54 -68.224219 0.049479 BFGS: 9942 15:24:54 -68.224222 0.002719 BFGS: 9943 15:24:54 -68.224225 0.050876 BFGS: 9944 15:24:54 -68.224229 0.001193 BFGS: 9945 15:24:54 -68.224232 0.047189 BFGS: 9946 15:24:54 -68.224235 0.002395 BFGS: 9947 15:24:54 -68.224238 0.045759 BFGS: 9948 15:24:54 -68.224241 0.001076 BFGS: 9949 15:24:54 -68.224244 0.049451 BFGS: 9950 15:24:54 -68.224248 0.002735 BFGS: 9951 15:24:54 -68.224251 0.050871 BFGS: 9952 15:24:54 -68.224254 0.001186 BFGS: 9953 15:24:54 -68.224257 0.047176 BFGS: 9954 15:24:54 -68.224260 0.002407 BFGS: 9955 15:24:54 -68.224263 0.045726 BFGS: 9956 15:24:54 -68.224267 0.001067 BFGS: 9957 15:24:54 -68.224270 0.049423 BFGS: 9958 15:24:54 -68.224273 0.002751 BFGS: 9959 15:24:54 -68.224276 0.050865 BFGS: 9960 15:24:54 -68.224279 0.001179 BFGS: 9961 15:24:54 -68.224282 0.047164 BFGS: 9962 15:24:54 -68.224286 0.002420 BFGS: 9963 15:24:54 -68.224289 0.045692 BFGS: 9964 15:24:54 -68.224292 0.001058 BFGS: 9965 15:24:54 -68.224295 0.049395 BFGS: 9966 15:24:54 -68.224298 0.002768 BFGS: 9967 15:24:54 -68.224301 0.050860 BFGS: 9968 15:24:54 -68.224305 0.001172 BFGS: 9969 15:24:54 -68.224308 0.047151 BFGS: 9970 15:24:54 -68.224311 0.002432 BFGS: 9971 15:24:54 -68.224314 0.045658 BFGS: 9972 15:24:54 -68.224317 0.001050 BFGS: 9973 15:24:54 -68.224320 0.049366 BFGS: 9974 15:24:54 -68.224323 0.002784 BFGS: 9975 15:24:54 -68.224326 0.050855 BFGS: 9976 15:24:54 -68.224330 0.001165 BFGS: 9977 15:24:54 -68.224333 0.047139 BFGS: 9978 15:24:54 -68.224336 0.002445 BFGS: 9979 15:24:54 -68.224339 0.045625 BFGS: 9980 15:24:54 -68.224342 0.001041 BFGS: 9981 15:24:54 -68.224345 0.049338 BFGS: 9982 15:24:54 -68.224349 0.002801 BFGS: 9983 15:24:54 -68.224351 0.050850 BFGS: 9984 15:24:54 -68.224355 0.001158 BFGS: 9985 15:24:54 -68.224358 0.047127 BFGS: 9986 15:24:54 -68.224361 0.002457 BFGS: 9987 15:24:54 -68.224364 0.045591 BFGS: 9988 15:24:54 -68.224367 0.001031 BFGS: 9989 15:24:54 -68.224370 0.049309 BFGS: 9990 15:24:54 -68.224374 0.002817 BFGS: 9991 15:24:54 -68.224377 0.050846 BFGS: 9992 15:24:54 -68.224380 0.001151 BFGS: 9993 15:24:54 -68.224383 0.047115 BFGS: 9994 15:24:54 -68.224386 0.002470 BFGS: 9995 15:24:54 -68.224389 0.045557 BFGS: 9996 15:24:54 -68.224392 0.001022 BFGS: 9997 15:24:54 -68.224395 0.049281 BFGS: 9998 15:24:54 -68.224399 0.002834 BFGS: 9999 15:24:54 -68.224402 0.050841 BFGS: 10000 15:24:54 -68.224405 0.001144 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.0010730930546947633 eV/Angstrom Maximum stress component: 2.9537551972526207e-05 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0. 0. 0.25 ] [0. 0. 0.75 ] [0.33333333 0.66666667 0.25 ] [0.66666667 0.33333333 0.75 ] [0.33333333 0.66666667 0.86971203] [0.66666667 0.33333333 0.36971203] [0.66666667 0.33333333 0.13028797] [0.33333333 0.66666667 0.63028797] [0.33333333 0.66666667 0.13116533] [0.66666667 0.33333333 0.63116533] [0.66666667 0.33333333 0.86883467] [0.33333333 0.66666667 0.36883467]] cellpar = Cell([[2.822942547101484, 5.806849760906661e-19, 3.302629231066234e-15], [-1.411471273550742, 2.4447399592138352, -3.149528185457594e-15], [4.2766586202075114e-14, -2.238058931196695e-14, 36.695876832066105]]) forces = [[ 1.82428386e-26 -3.15975234e-26 -3.08778055e-28] [-4.25666235e-26 -1.05325078e-26 -4.33450772e-41] [-5.41204213e-25 2.63312695e-25 -9.26334164e-28] [ 5.65527998e-25 -2.21182664e-25 7.97172672e-40] [-1.25061807e-18 6.54472846e-19 -1.07309305e-03] [-1.25061807e-18 6.54472846e-19 -1.07309305e-03] [ 1.25061807e-18 -6.54472846e-19 1.07309305e-03] [ 1.25061807e-18 -6.54472846e-19 1.07309305e-03] [-1.25061807e-18 6.54472846e-19 -1.07309305e-03] [-1.25061807e-18 6.54472846e-19 -1.07309305e-03] [ 1.25061807e-18 -6.54472846e-19 1.07309305e-03] [ 1.25061807e-18 -6.54472846e-19 1.07309305e-03]] stress = [-2.95375520e-05 -2.95375520e-05 5.45679904e-07 -1.79279860e-20 3.42145325e-20 8.47356705e-21] energy per atom = -5.685367075440316 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0