element(s): ['C'] AFLOW prototype label: A_cP20_221_gj Parameter names: ['a', 'x1', 'y2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.215', '0.26228631', '0.15146094'] model name: ThreeBodyBondOrder_KDS_KhorDasSarma_1988_C__MO_454320668790_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C'] representative atom coordinates = [[0.26228631 0.26228631 0.26228631] [0.5 0.15146094 0.15146094]] spacegroup = 221 cell = [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]] ========================================= Step Time Energy fmax BFGS: 0 17:35:13 -111.577850 2.775378 BFGS: 1 17:35:13 -112.745324 2.611330 BFGS: 2 17:35:13 -114.136594 2.665518 BFGS: 3 17:35:13 -115.558192 2.894885 BFGS: 4 17:35:13 -118.666844 6.499021 BFGS: 5 17:35:13 -47.570689 10.838347 BFGS: 6 17:35:13 -50.096817 11.051031 BFGS: 7 17:35:13 -53.011046 11.161497 BFGS: 8 17:35:13 -56.605595 11.157184 BFGS: 9 17:35:13 -60.840676 10.548975 BFGS: 10 17:35:13 -64.341999 9.106334 BFGS: 11 17:35:14 -67.551294 8.183012 BFGS: 12 17:35:14 -70.284549 8.035505 BFGS: 13 17:35:14 -71.875197 7.959832 BFGS: 14 17:35:15 -73.222354 7.674943 BFGS: 15 17:35:15 -74.464995 7.308160 BFGS: 16 17:35:15 -75.619841 6.919104 BFGS: 17 17:35:16 -76.697089 6.528405 BFGS: 18 17:35:16 -77.703624 6.143519 BFGS: 19 17:35:16 -78.644035 5.767512 BFGS: 20 17:35:16 -79.521675 5.401768 BFGS: 21 17:35:16 -80.339273 5.046949 BFGS: 22 17:35:16 -81.099245 4.703373 BFGS: 23 17:35:16 -158.587579 14.415352 BFGS: 24 17:35:16 -159.352787 13.549528 BFGS: 25 17:35:16 -160.159965 12.600427 BFGS: 26 17:35:16 -161.034054 11.606010 BFGS: 27 17:35:17 -161.992855 10.598248 BFGS: 28 17:35:17 -82.214277 6.756254 BFGS: 29 17:35:17 -162.759928 9.768546 BFGS: 30 17:35:17 -82.350750 6.781032 BFGS: 31 17:35:18 -162.934092 9.490761 BFGS: 32 17:35:18 -163.002741 9.305137 BFGS: 33 17:35:18 -163.077919 9.136081 BFGS: 34 17:35:19 -163.151932 9.010059 BFGS: 35 17:35:19 -163.227100 8.918492 BFGS: 36 17:35:20 -163.304004 8.852823 BFGS: 37 17:35:20 -82.291728 7.678748 BFGS: 38 17:35:20 -82.321333 7.641365 BFGS: 39 17:35:21 -82.388822 7.541731 BFGS: 40 17:35:21 -82.453706 7.418172 BFGS: 41 17:35:21 -163.041140 9.124969 BFGS: 42 17:35:22 -163.124175 9.025860 BFGS: 43 17:35:22 -82.424555 7.504956 BFGS: 44 17:35:22 -163.184971 8.962800 BFGS: 45 17:35:22 -82.436209 7.496601 BFGS: 46 17:35:23 -82.442606 7.492895 BFGS: 47 17:35:23 -162.798360 9.153602 BFGS: 48 17:35:23 -163.025715 9.032284 BFGS: 49 17:35:23 -82.135339 7.701259 BFGS: 50 17:35:23 -82.358464 7.570184 BFGS: 51 17:35:23 -162.875633 9.106124 BFGS: 52 17:35:23 -163.110985 8.980144 BFGS: 53 17:35:24 -82.050231 7.785324 BFGS: 54 17:35:24 -82.283997 7.640983 BFGS: 55 17:35:24 -162.941061 9.068592 BFGS: 56 17:35:24 -163.185340 8.938336 BFGS: 57 17:35:24 -81.976130 7.859061 BFGS: 58 17:35:24 -82.217393 7.704779 BFGS: 59 17:35:24 -163.000259 9.036651 BFGS: 60 17:35:24 -82.410987 7.577093 BFGS: 61 17:35:24 -163.138281 8.962976 BFGS: 62 17:35:24 -163.199853 8.930319 BFGS: 63 17:35:25 -81.727070 8.079717 BFGS: 64 17:35:25 -82.089537 7.826767 BFGS: 65 17:35:25 -162.903263 9.083944 BFGS: 66 17:35:25 -82.382488 7.614944 BFGS: 67 17:35:25 -163.115339 8.974814 BFGS: 68 17:35:26 -163.209081 8.926340 BFGS: 69 17:35:26 -81.480413 8.290104 BFGS: 70 17:35:26 -81.968259 7.938863 BFGS: 71 17:35:26 -162.794149 9.135227 BFGS: 72 17:35:26 -82.363147 7.642121 BFGS: 73 17:35:27 -163.080918 8.992203 BFGS: 74 17:35:27 -163.206825 8.928589 BFGS: 75 17:35:27 -81.250232 8.481856 BFGS: 76 17:35:27 -81.862547 8.035295 BFGS: 77 17:35:28 -162.672979 9.190327 BFGS: 78 17:35:28 -82.357090 7.656111 BFGS: 79 17:35:28 -163.032758 9.015695 BFGS: 80 17:35:29 -163.189778 8.938013 BFGS: 81 17:35:29 -81.042169 8.652402 BFGS: 82 17:35:29 -81.775903 8.114196 BFGS: 83 17:35:29 -162.539416 9.249320 BFGS: 84 17:35:29 -82.365589 7.656365 BFGS: 85 17:35:30 -162.970168 9.045254 BFGS: 86 17:35:30 -163.157023 8.954583 BFGS: 87 17:35:30 -80.856885 8.802494 BFGS: 88 17:35:30 -81.708444 8.176108 BFGS: 89 17:35:30 -162.393442 9.312143 BFGS: 90 17:35:30 -82.388071 7.643653 BFGS: 91 17:35:31 -162.893676 9.080390 BFGS: 92 17:35:31 -163.109249 8.977661 BFGS: 93 17:35:31 -80.692437 8.934494 BFGS: 94 17:35:31 -81.658465 8.222829 BFGS: 95 17:35:31 -162.235573 9.378491 BFGS: 96 17:35:31 -82.422927 7.619482 BFGS: 97 17:35:32 -162.804613 9.120327 BFGS: 98 17:35:32 -163.048071 9.006293 BFGS: 99 17:35:32 -80.545687 9.051395 BFGS: 100 17:35:32 -81.623412 8.256692 BFGS: 101 17:35:32 -162.066797 9.447865 BFGS: 102 17:35:32 -163.196208 8.935980 BFGS: 103 17:35:32 -80.493228 9.092913 BFGS: 104 17:35:33 -81.536768 8.325487 BFGS: 105 17:35:33 -162.243629 9.370009 BFGS: 106 17:35:33 -82.367347 7.670131 BFGS: 107 17:35:33 -162.841603 9.101651 BFGS: 108 17:35:33 -163.099357 8.982103 BFGS: 109 17:35:34 -80.406072 9.165670 BFGS: 110 17:35:34 -81.543498 8.326318 BFGS: 111 17:35:34 -162.055441 9.447589 BFGS: 112 17:35:34 -163.231142 8.920277 BFGS: 113 17:35:34 -80.364809 9.198182 BFGS: 114 17:35:35 -81.467986 8.386022 BFGS: 115 17:35:35 -162.218374 9.376729 BFGS: 116 17:35:35 -82.347508 7.690498 BFGS: 117 17:35:35 -162.842324 9.100138 BFGS: 118 17:35:35 -163.112069 8.976423 BFGS: 119 17:35:35 -80.312492 9.244503 BFGS: 120 17:35:35 -81.499902 8.366540 BFGS: 121 17:35:35 -162.015775 9.459843 BFGS: 122 17:35:35 -163.235543 8.919003 BFGS: 123 17:35:36 -80.276022 9.272732 BFGS: 124 17:35:36 -81.429845 8.421643 BFGS: 125 17:35:36 -162.171307 9.393021 BFGS: 126 17:35:36 -82.349194 7.692332 BFGS: 127 17:35:36 -162.820676 9.108731 BFGS: 128 17:35:36 -163.101468 8.981396 BFGS: 129 17:35:37 -80.245831 9.301940 BFGS: 130 17:35:37 -81.478075 8.388762 BFGS: 131 17:35:37 -161.957736 9.479954 BFGS: 132 17:35:37 -163.221252 8.926125 BFGS: 133 17:35:37 -80.210670 9.328547 BFGS: 134 17:35:37 -81.410209 8.441889 BFGS: 135 17:35:37 -162.109976 9.415347 BFGS: 136 17:35:37 -82.364097 7.682563 BFGS: 137 17:35:37 -162.785000 9.123403 BFGS: 138 17:35:37 -163.076441 8.992675 BFGS: 139 17:35:37 -80.195420 9.346050 BFGS: 140 17:35:37 -81.469572 8.399719 BFGS: 141 17:35:38 -161.887843 9.504970 BFGS: 142 17:35:38 -163.195417 8.938198 BFGS: 143 17:35:38 -80.159545 9.372626 BFGS: 144 17:35:38 -81.401899 8.452500 BFGS: 145 17:35:38 -162.039554 9.441384 BFGS: 146 17:35:38 -82.387015 7.665575 BFGS: 147 17:35:38 -162.740668 9.141677 BFGS: 148 17:35:38 -163.042573 9.007653 BFGS: 149 17:35:39 -80.154789 9.381835 BFGS: 150 17:35:39 -81.469139 8.403664 BFGS: 151 17:35:39 -161.810555 9.532944 BFGS: 152 17:35:39 -163.162629 8.953109 BFGS: 153 17:35:39 -80.117004 9.409348 BFGS: 154 17:35:39 -81.400403 8.457137 BFGS: 155 17:35:39 -161.963662 9.469566 BFGS: 156 17:35:39 -82.414555 7.644259 BFGS: 157 17:35:39 -162.691280 9.161958 BFGS: 158 17:35:39 -163.003545 9.024683 BFGS: 159 17:35:40 -80.119791 9.412551 BFGS: 160 17:35:40 -81.473363 8.403392 BFGS: 161 17:35:40 -161.728972 9.562567 BFGS: 162 17:35:40 -163.125937 8.969509 BFGS: 163 17:35:41 -80.079424 9.441564 BFGS: 164 17:35:41 -81.402782 8.458211 BFGS: 165 17:35:41 -161.884842 9.498829 BFGS: 166 17:35:41 -163.225891 8.924245 BFGS: 167 17:35:41 -80.053081 9.460586 BFGS: 168 17:35:41 -81.346913 8.501509 BFGS: 169 17:35:42 -162.016619 9.444538 BFGS: 170 17:35:42 -82.373259 7.680180 BFGS: 171 17:35:42 -162.738891 9.139956 BFGS: 172 17:35:42 -163.050371 9.003351 BFGS: 173 17:35:42 -80.084314 9.442998 BFGS: 174 17:35:43 -81.439292 8.432558 BFGS: 175 17:35:43 -161.771701 9.541902 BFGS: 176 17:35:43 -163.159943 8.954123 BFGS: 177 17:35:43 -80.048555 9.468468 BFGS: 178 17:35:43 -81.375842 8.481713 BFGS: 179 17:35:44 -161.912731 9.484541 BFGS: 180 17:35:44 -163.250266 8.913350 BFGS: 181 17:35:44 -80.025364 9.484980 BFGS: 182 17:35:44 -81.325331 8.520741 BFGS: 183 17:35:44 -162.033019 9.435271 BFGS: 184 17:35:44 -82.358648 7.693622 BFGS: 185 17:35:44 -162.754625 9.132213 BFGS: 186 17:35:44 -163.066426 8.995990 BFGS: 187 17:35:44 -80.070930 9.456684 BFGS: 188 17:35:44 -81.427471 8.443979 BFGS: 189 17:35:44 -161.782472 9.534822 BFGS: 190 17:35:44 -163.169721 8.949753 BFGS: 191 17:35:44 -80.035397 9.481808 BFGS: 192 17:35:44 -81.366780 8.490923 BFGS: 193 17:35:44 -161.915289 9.481130 BFGS: 194 17:35:44 -82.419434 7.643860 BFGS: 195 17:35:44 -162.667269 9.169080 BFGS: 196 17:35:44 -162.989941 9.029596 BFGS: 197 17:35:44 -80.070818 9.460366 BFGS: 198 17:35:44 -81.462232 8.418847 BFGS: 199 17:35:44 -161.665422 9.579242 BFGS: 200 17:35:44 -163.103351 8.979258 BFGS: 201 17:35:44 -80.026629 9.491515 BFGS: 202 17:35:44 -81.394098 8.471615 BFGS: 203 17:35:44 -161.808661 9.522044 BFGS: 204 17:35:44 -163.196874 8.937459 BFGS: 205 17:35:44 -79.996735 9.512427 BFGS: 206 17:35:44 -81.339743 8.513521 BFGS: 207 17:35:44 -161.930964 9.472819 BFGS: 208 17:35:44 -82.402642 7.658714 BFGS: 209 17:35:44 -162.684211 9.160991 BFGS: 210 17:35:44 -163.007944 9.021334 BFGS: 211 17:35:44 -80.047571 9.479704 BFGS: 212 17:35:44 -81.445705 8.433180 BFGS: 213 17:35:44 -161.674964 9.573357 BFGS: 214 17:35:44 -163.115234 8.973823 BFGS: 215 17:35:44 -80.005457 9.509240 BFGS: 216 17:35:44 -81.380952 8.483248 BFGS: 217 17:35:44 -161.811059 9.519265 BFGS: 218 17:35:44 -163.204085 8.934197 BFGS: 219 17:35:44 -79.977015 9.528987 BFGS: 220 17:35:44 -81.329177 8.523088 BFGS: 221 17:35:44 -161.927771 9.472515 BFGS: 222 17:35:44 -82.399596 7.661926 BFGS: 223 17:35:44 -162.684697 9.160142 BFGS: 224 17:35:44 -163.010075 9.020160 BFGS: 225 17:35:44 -80.036293 9.489996 BFGS: 226 17:35:45 -81.440832 8.438185 BFGS: 227 17:35:45 -161.668163 9.574333 BFGS: 228 17:35:45 -163.114573 8.974012 BFGS: 229 17:35:45 -79.993922 9.519627 BFGS: 230 17:35:45 -81.377188 8.487360 BFGS: 231 17:35:45 -161.800520 9.521979 BFGS: 232 17:35:45 -163.201306 8.935423 BFGS: 233 17:35:45 -79.965131 9.539527 BFGS: 234 17:35:45 -81.326216 8.526540 BFGS: 235 17:35:45 -161.914299 9.476621 BFGS: 236 17:35:46 -82.403433 7.659262 BFGS: 237 17:35:46 -162.676612 9.163068 BFGS: 238 17:35:46 -163.004122 9.022580 BFGS: 239 17:35:46 -80.029543 9.496669 BFGS: 240 17:35:46 -81.441274 8.438848 BFGS: 241 17:35:46 -161.652302 9.579168 BFGS: 242 17:35:46 -163.107564 8.977026 BFGS: 243 17:35:46 -79.985960 9.527101 BFGS: 244 17:35:46 -81.377651 8.487994 BFGS: 245 17:35:46 -161.782845 9.527770 BFGS: 246 17:35:46 -163.193514 8.938878 BFGS: 247 17:35:46 -79.956112 9.547681 BFGS: 248 17:35:46 -81.326639 8.527182 BFGS: 249 17:35:46 -161.895208 9.483180 BFGS: 250 17:35:46 -82.410676 7.653644 BFGS: 251 17:35:46 -162.664068 9.167967 BFGS: 252 17:35:46 -162.994068 9.026815 BFGS: 253 17:35:46 -80.024020 9.502160 BFGS: 254 17:35:46 -81.443976 8.437579 BFGS: 255 17:35:46 -161.631409 9.586194 BFGS: 256 17:35:46 -163.097396 8.981433 BFGS: 257 17:35:46 -79.978907 9.533635 BFGS: 258 17:35:46 -81.379859 8.487108 BFGS: 259 17:35:46 -161.761282 9.535282 BFGS: 260 17:35:46 -163.183286 8.943401 BFGS: 261 17:35:46 -79.947795 9.555056 BFGS: 262 17:35:46 -81.328420 8.526613 BFGS: 263 17:35:46 -161.873134 9.491081 BFGS: 264 17:35:46 -163.255411 8.911252 BFGS: 265 17:35:46 -79.927560 9.568716 BFGS: 266 17:35:46 -81.287068 8.558210 BFGS: 267 17:35:46 -161.970492 9.452345 BFGS: 268 17:35:46 -82.366761 7.690684 BFGS: 269 17:35:46 -162.722902 9.142656 BFGS: 270 17:35:46 -163.047430 9.003356 BFGS: 271 17:35:46 -80.012503 9.510921 BFGS: 272 17:35:46 -81.415703 8.459967 BFGS: 273 17:35:46 -161.702076 9.557754 BFGS: 274 17:35:46 -163.140681 8.962297 BFGS: 275 17:35:47 -79.972733 9.538560 BFGS: 276 17:35:47 -81.357858 8.504545 BFGS: 277 17:35:47 -161.820298 9.511318 BFGS: 278 17:35:47 -163.218669 8.927695 BFGS: 279 17:35:47 -79.945470 9.557228 BFGS: 280 17:35:48 -81.311291 8.540232 BFGS: 281 17:35:48 -161.922740 9.470781 BFGS: 282 17:35:48 -82.394478 7.667853 BFGS: 283 17:35:48 -162.685652 9.158267 BFGS: 284 17:35:48 -163.013736 9.018048 BFGS: 285 17:35:48 -80.025060 9.503103 BFGS: 286 17:35:48 -81.435949 8.444848 BFGS: 287 17:35:48 -161.656180 9.575001 BFGS: 288 17:35:48 -163.111415 8.975208 BFGS: 289 17:35:48 -79.980160 9.534413 BFGS: 290 17:35:48 -81.374318 8.492426 BFGS: 291 17:35:48 -161.778345 9.527251 BFGS: 292 17:35:48 -163.192919 8.939167 BFGS: 293 17:35:48 -79.948785 9.555994 BFGS: 294 17:35:48 -81.324691 8.530510 BFGS: 295 17:35:48 -161.883950 9.485649 BFGS: 296 17:35:49 -82.414244 7.651586 BFGS: 297 17:35:49 -162.657080 9.170157 BFGS: 298 17:35:49 -162.988779 9.028866 BFGS: 299 17:35:49 -80.026563 9.503053 BFGS: 300 17:35:49 -81.447931 8.436067 BFGS: 301 17:35:50 -161.617629 9.589404 BFGS: 302 17:35:50 -163.089377 8.984880 BFGS: 303 17:35:50 -79.978432 9.536656 BFGS: 304 17:35:50 -81.383889 8.485552 BFGS: 305 17:35:50 -161.742532 9.540784 BFGS: 306 17:35:50 -163.173184 8.947915 BFGS: 307 17:35:50 -79.944525 9.560013 BFGS: 308 17:35:51 -81.332337 8.525138 BFGS: 309 17:35:51 -161.850344 9.498475 BFGS: 310 17:35:51 -163.243677 8.916599 BFGS: 311 17:35:51 -79.921793 9.575376 BFGS: 312 17:35:51 -81.290790 8.556862 BFGS: 313 17:35:51 -161.944386 9.461314 BFGS: 314 17:35:51 -82.378095 7.682006 BFGS: 315 17:35:51 -162.704890 9.149786 BFGS: 316 17:35:51 -163.032451 9.009774 BFGS: 317 17:35:51 -80.013682 9.512305 BFGS: 318 17:35:51 -81.423390 8.455288 BFGS: 319 17:35:51 -161.674238 9.567051 BFGS: 320 17:35:51 -163.125056 8.969168 BFGS: 321 17:35:51 -79.970632 9.542260 BFGS: 322 17:35:51 -81.364643 8.500584 BFGS: 323 17:35:51 -161.790248 9.521782 BFGS: 324 17:35:52 -163.202558 8.934907 BFGS: 325 17:35:52 -79.940529 9.562903 BFGS: 326 17:35:52 -81.317258 8.536900 BFGS: 327 17:35:52 -161.890863 9.482221 BFGS: 328 17:35:53 -82.408723 7.656578 BFGS: 329 17:35:53 -162.663407 9.167222 BFGS: 330 17:35:53 -162.995038 9.026057 BFGS: 331 17:35:54 -80.025858 9.504413 BFGS: 332 17:35:54 -81.445053 8.438848 BFGS: 333 17:35:54 -161.623057 9.586564 BFGS: 334 17:35:54 -163.092958 8.983284 BFGS: 335 17:35:54 -79.977572 9.538128 BFGS: 336 17:35:54 -81.382115 8.487473 BFGS: 337 17:35:55 -161.744207 9.539495 BFGS: 338 17:35:55 -163.174666 8.947280 BFGS: 339 17:35:55 -79.943329 9.561720 BFGS: 340 17:35:55 -81.331368 8.526430 BFGS: 341 17:35:55 -161.848952 9.498473 BFGS: 342 17:35:56 -163.243484 8.916736 BFGS: 343 17:35:56 -79.920170 9.577375 BFGS: 344 17:35:56 -81.290417 8.557688 BFGS: 345 17:35:56 -161.940458 9.462390 BFGS: 346 17:35:56 -82.379452 7.681181 BFGS: 347 17:35:56 -162.702394 9.150677 BFGS: 348 17:35:56 -163.030514 9.010583 BFGS: 349 17:35:56 -80.016721 9.510834 BFGS: 350 17:35:56 -81.425586 8.454028 BFGS: 351 17:35:56 -161.669880 9.568223 BFGS: 352 17:35:56 -163.122072 8.970489 BFGS: 353 17:35:57 -79.972580 9.541580 BFGS: 354 17:35:57 -81.366902 8.499288 BFGS: 355 17:35:57 -161.783962 9.523795 BFGS: 356 17:35:57 -163.198747 8.936634 BFGS: 357 17:35:57 -79.941445 9.562962 BFGS: 358 17:35:57 -81.319512 8.535614 BFGS: 359 17:35:57 -161.882968 9.484946 BFGS: 360 17:35:57 -82.412592 7.653601 BFGS: 361 17:35:57 -162.657685 9.169500 BFGS: 362 17:35:58 -162.990101 9.028172 BFGS: 363 17:35:58 -80.030379 9.501769 BFGS: 364 17:35:58 -81.449132 8.436051 BFGS: 365 17:35:58 -161.615175 9.589191 BFGS: 366 17:35:58 -163.087586 8.985650 BFGS: 367 17:35:58 -79.980653 9.536535 BFGS: 368 17:35:58 -81.385867 8.484951 BFGS: 369 17:35:58 -161.735092 9.542689 BFGS: 370 17:35:58 -163.168952 8.949842 BFGS: 371 17:35:58 -79.945111 9.561062 BFGS: 372 17:35:58 -81.334806 8.524166 BFGS: 373 17:35:58 -161.838787 9.502155 BFGS: 374 17:35:58 -163.237487 8.919457 BFGS: 375 17:35:58 -79.920806 9.577535 BFGS: 376 17:35:58 -81.293567 8.555652 BFGS: 377 17:35:58 -161.929393 9.466494 BFGS: 378 17:35:58 -82.384858 7.676891 BFGS: 379 17:35:58 -162.694395 9.153972 BFGS: 380 17:35:58 -163.023624 9.013578 BFGS: 381 17:35:58 -80.020371 9.508727 BFGS: 382 17:35:58 -81.430196 8.450765 BFGS: 383 17:35:58 -161.658904 9.572175 BFGS: 384 17:35:58 -163.115169 8.973543 BFGS: 385 17:35:58 -79.974805 9.540508 BFGS: 386 17:35:58 -81.371013 8.496434 BFGS: 387 17:35:58 -161.772350 9.528073 BFGS: 388 17:35:58 -163.191827 8.939736 BFGS: 389 17:35:58 -79.942427 9.562784 BFGS: 390 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9.152002 BFGS: 1884 17:36:23 -163.020196 9.017033 BFGS: 1885 17:36:23 -80.240673 9.350325 BFGS: 1886 17:36:23 -81.517296 8.385010 BFGS: 1887 17:36:23 -161.728129 9.547072 BFGS: 1888 17:36:23 -163.099706 8.982435 BFGS: 1889 17:36:23 -80.179691 9.394207 BFGS: 1890 17:36:23 -81.457600 8.431617 BFGS: 1891 17:36:23 -161.816129 9.512736 BFGS: 1892 17:36:23 -163.166704 8.953059 BFGS: 1893 17:36:23 -80.130888 9.429115 BFGS: 1894 17:36:23 -81.407962 8.470173 BFGS: 1895 17:36:23 -161.892031 9.482932 BFGS: 1896 17:36:23 -163.223434 8.928022 BFGS: 1897 17:36:23 -80.092281 9.456563 BFGS: 1898 17:36:23 -81.366735 8.502043 BFGS: 1899 17:36:23 -161.958010 9.456883 BFGS: 1900 17:36:23 -82.405929 7.662970 BFGS: 1901 17:36:23 -162.693409 9.156417 BFGS: 1902 17:36:23 -163.010231 9.021389 BFGS: 1903 17:36:23 -80.249822 9.343753 BFGS: 1904 17:36:23 -81.525344 8.378751 BFGS: 1905 17:36:23 -161.717716 9.551146 BFGS: 1906 17:36:23 -163.091261 8.986162 BFGS: 1907 17:36:23 -80.187182 9.388864 BFGS: 1908 17:36:23 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9.491620 BFGS: 4918 17:36:57 -163.169269 8.953764 BFGS: 4919 17:36:57 -80.245905 9.346951 BFGS: 4920 17:36:57 -81.452240 8.437696 BFGS: 4921 17:36:57 -161.938485 9.466409 BFGS: 4922 17:36:57 -163.220728 8.931091 BFGS: 4923 17:36:57 -80.201691 9.378855 BFGS: 4924 17:36:57 -81.411166 8.469651 BFGS: 4925 17:36:57 -161.993537 9.444580 BFGS: 4926 17:36:57 -82.412327 7.660362 BFGS: 4927 17:36:57 -162.704459 9.153578 BFGS: 4928 17:36:57 -163.011253 9.022679 BFGS: 4929 17:36:57 -80.384411 9.246332 BFGS: 4930 17:36:57 -81.578344 8.338929 BFGS: 4931 17:36:57 -161.772108 9.531804 BFGS: 4932 17:36:57 -163.086601 8.989961 BFGS: 4933 17:36:57 -80.316915 9.295525 BFGS: 4934 17:36:57 -81.517843 8.386460 BFGS: 4935 17:36:57 -161.850377 9.501148 BFGS: 4936 17:36:57 -163.150419 8.962059 BFGS: 4937 17:36:57 -80.260469 9.336477 BFGS: 4938 17:36:57 -81.466597 8.426538 BFGS: 4939 17:36:57 -161.917406 9.474743 BFGS: 4940 17:36:57 -163.204606 8.938228 BFGS: 4941 17:36:57 -80.213472 9.370430 BFGS: 4942 17:36:57 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9.261433 BFGS: 4992 17:36:58 -81.558842 8.354252 BFGS: 4993 17:36:58 -161.799157 9.521238 BFGS: 4994 17:36:58 -163.107958 8.980633 BFGS: 4995 17:36:58 -80.299875 9.307859 BFGS: 4996 17:36:58 -81.501456 8.399272 BFGS: 4997 17:36:58 -161.873600 9.492022 BFGS: 4998 17:36:58 -163.168515 8.954106 BFGS: 4999 17:36:58 -80.246583 9.346476 BFGS: 5000 17:36:58 -81.452853 8.437234 BFGS: 5001 17:36:58 -161.937446 9.466828 BFGS: 5002 17:36:58 -163.219981 8.931433 BFGS: 5003 17:36:58 -80.202262 9.378460 BFGS: 5004 17:36:58 -81.411737 8.469225 BFGS: 5005 17:36:58 -161.992453 9.445018 BFGS: 5006 17:36:58 -82.412967 7.659843 BFGS: 5007 17:36:58 -162.703603 9.153948 BFGS: 5008 17:36:58 -163.010474 9.023026 BFGS: 5009 17:36:58 -80.385335 9.245665 BFGS: 5010 17:36:58 -81.579059 8.338379 BFGS: 5011 17:36:58 -161.771164 9.532181 BFGS: 5012 17:36:58 -163.085838 8.990303 BFGS: 5013 17:36:58 -80.317738 9.294936 BFGS: 5014 17:36:58 -81.518514 8.385949 BFGS: 5015 17:36:58 -161.849403 9.501539 BFGS: 5016 17:36:58 -163.149669 8.962399 BFGS: 5017 17:36:58 -80.261188 9.335968 BFGS: 5018 17:36:58 -81.467224 8.426064 BFGS: 5019 17:36:58 -161.916397 9.475150 BFGS: 5020 17:36:58 -163.203865 8.938565 BFGS: 5021 17:36:58 -80.214085 9.370002 BFGS: 5022 17:36:58 -81.423822 8.459873 BFGS: 5023 17:36:58 -161.974017 9.452340 BFGS: 5024 17:36:58 -163.249996 8.918171 BFGS: 5025 17:36:58 -80.175053 9.398093 BFGS: 5026 17:36:58 -81.387138 8.488345 BFGS: 5027 17:36:58 -162.023815 9.432541 BFGS: 5028 17:36:58 -82.390977 7.678262 BFGS: 5029 17:36:58 -162.730536 9.142578 BFGS: 5030 17:36:58 -163.036139 9.011893 BFGS: 5031 17:36:58 -80.364083 9.261129 BFGS: 5032 17:36:58 -81.559183 8.353990 BFGS: 5033 17:36:58 -161.798669 9.521433 BFGS: 5034 17:36:58 -163.107579 8.980803 BFGS: 5035 17:36:58 -80.300246 9.307594 BFGS: 5036 17:36:58 -81.501774 8.399029 BFGS: 5037 17:36:58 -161.873097 9.492224 BFGS: 5038 17:36:58 -163.168142 8.954275 BFGS: 5039 17:36:58 -80.246903 9.346250 BFGS: 5040 17:36:58 -81.453151 8.437010 BFGS: 5041 17:36:58 -161.936925 9.467038 BFGS: 5042 17:36:58 -163.219612 8.931601 BFGS: 5043 17:36:58 -80.202531 9.378274 BFGS: 5044 17:36:58 -81.412013 8.469019 BFGS: 5045 17:36:58 -161.991911 9.445237 BFGS: 5046 17:36:58 -82.413284 7.659585 BFGS: 5047 17:36:58 -162.703177 9.154132 BFGS: 5048 17:36:58 -163.010088 9.023197 BFGS: 5049 17:36:58 -80.385777 9.245346 BFGS: 5050 17:36:58 -81.579406 8.338112 BFGS: 5051 17:36:58 -161.770689 9.532370 BFGS: 5052 17:36:58 -163.085460 8.990472 BFGS: 5053 17:36:58 -80.318131 9.294655 BFGS: 5054 17:36:58 -81.518840 8.385699 BFGS: 5055 17:36:58 -161.848915 9.501734 BFGS: 5056 17:36:58 -163.149298 8.962566 BFGS: 5057 17:36:58 -80.261530 9.335726 BFGS: 5058 17:36:58 -81.467528 8.425833 BFGS: 5059 17:36:58 -161.915891 9.475353 BFGS: 5060 17:36:58 -163.203498 8.938732 BFGS: 5061 17:36:58 -80.214375 9.369799 BFGS: 5062 17:36:58 -81.424105 8.459661 BFGS: 5063 17:36:58 -161.973492 9.452551 BFGS: 5064 17:36:58 -163.249632 8.918338 BFGS: 5065 17:36:58 -80.175291 9.397929 BFGS: 5066 17:36:58 -81.387400 8.488149 BFGS: 5067 17:36:58 -162.023267 9.432763 BFGS: 5068 17:36:58 -82.391290 7.678007 BFGS: 5069 17:36:59 -162.730110 9.142762 BFGS: 5070 17:36:59 -163.035755 9.012064 BFGS: 5071 17:36:59 -80.364493 9.260834 BFGS: 5072 17:36:59 -81.559517 8.353733 BFGS: 5073 17:36:59 -161.798180 9.521627 BFGS: 5074 17:36:59 -163.107203 8.980972 BFGS: 5075 17:36:59 -80.300606 9.307337 BFGS: 5076 17:36:59 -81.502088 8.398790 BFGS: 5077 17:36:59 -161.872594 9.492425 BFGS: 5078 17:36:59 -163.167772 8.954442 BFGS: 5079 17:36:59 -80.247212 9.346032 BFGS: 5080 17:36:59 -81.453442 8.436789 BFGS: 5081 17:36:59 -161.936404 9.467246 BFGS: 5082 17:36:59 -163.219246 8.931767 BFGS: 5083 17:36:59 -80.202789 9.378094 BFGS: 5084 17:36:59 -81.412284 8.468815 BFGS: 5085 17:36:59 -161.991370 9.445455 BFGS: 5086 17:36:59 -82.413597 7.659328 BFGS: 5087 17:36:59 -162.702753 9.154314 BFGS: 5088 17:36:59 -163.009705 9.023367 BFGS: 5089 17:36:59 -80.386207 9.245035 BFGS: 5090 17:36:59 -81.579748 8.337848 BFGS: 5091 17:36:59 -161.770213 9.532560 BFGS: 5092 17:36:59 -163.085085 8.990639 BFGS: 5093 17:36:59 -80.318512 9.294382 BFGS: 5094 17:36:59 -81.519160 8.385454 BFGS: 5095 17:36:59 -161.848426 9.501929 BFGS: 5096 17:36:59 -163.148930 8.962732 BFGS: 5097 17:36:59 -80.261861 9.335491 BFGS: 5098 17:36:59 -81.467827 8.425606 BFGS: 5099 17:36:59 -161.915386 9.475555 BFGS: 5100 17:36:59 -163.203135 8.938896 BFGS: 5101 17:36:59 -80.214656 9.369603 BFGS: 5102 17:36:59 -81.424383 8.459451 BFGS: 5103 17:36:59 -161.972967 9.452762 BFGS: 5104 17:36:59 -163.249272 8.918502 BFGS: 5105 17:36:59 -80.175521 9.397772 BFGS: 5106 17:36:59 -81.387658 8.487957 BFGS: 5107 17:36:59 -162.022720 9.432983 BFGS: 5108 17:36:59 -82.391601 7.677753 BFGS: 5109 17:36:59 -162.729686 9.142944 BFGS: 5110 17:36:59 -163.035373 9.012233 BFGS: 5111 17:36:59 -80.364892 9.260547 BFGS: 5112 17:36:59 -81.559846 8.353480 BFGS: 5113 17:36:59 -161.797692 9.521821 BFGS: 5114 17:36:59 -163.106829 8.981139 BFGS: 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9.513189 BFGS: 8100 17:37:30 -163.111346 8.979577 BFGS: 8101 17:37:31 -80.334255 9.282884 BFGS: 8102 17:37:31 -81.513667 8.390113 BFGS: 8103 17:37:31 -161.891421 9.485481 BFGS: 8104 17:37:31 -163.169763 8.953995 BFGS: 8105 17:37:31 -80.280382 9.322057 BFGS: 8106 17:37:31 -81.465755 8.427599 BFGS: 8107 17:37:31 -161.951721 9.461647 BFGS: 8108 17:37:31 -163.219477 8.932108 BFGS: 8109 17:37:31 -80.234982 9.354949 BFGS: 8110 17:37:31 -81.424982 8.459385 BFGS: 8111 17:37:31 -162.003495 9.441092 BFGS: 8112 17:37:31 -82.414721 7.659032 BFGS: 8113 17:37:31 -162.707181 9.152888 BFGS: 8114 17:37:31 -163.010992 9.023216 BFGS: 8115 17:37:31 -80.426206 9.215741 BFGS: 8116 17:37:31 -81.595230 8.326014 BFGS: 8117 17:37:31 -161.788107 9.526057 BFGS: 8118 17:37:31 -163.084515 8.991301 BFGS: 8119 17:37:31 -80.357923 9.265679 BFGS: 8120 17:37:31 -81.535174 8.373277 BFGS: 8121 17:37:31 -161.863196 9.496603 BFGS: 8122 17:37:31 -163.146913 8.964040 BFGS: 8123 17:37:31 -80.300148 9.307754 BFGS: 8124 17:37:31 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8149 17:37:31 -80.239806 9.351502 BFGS: 8150 17:37:31 -81.429692 8.455751 BFGS: 8151 17:37:31 -161.996694 9.443805 BFGS: 8152 17:37:31 -163.256625 8.915701 BFGS: 8153 17:37:31 -80.200766 9.379704 BFGS: 8154 17:37:31 -81.394294 8.483270 BFGS: 8155 17:37:31 -162.042090 9.425721 BFGS: 8156 17:37:31 -82.387436 7.681892 BFGS: 8157 17:37:31 -162.740478 9.138831 BFGS: 8158 17:37:31 -163.042786 9.009430 BFGS: 8159 17:37:31 -80.399033 9.235588 BFGS: 8160 17:37:31 -81.570242 8.345677 BFGS: 8161 17:37:31 -161.821771 9.512882 BFGS: 8162 17:37:31 -163.111519 8.979512 BFGS: 8163 17:37:31 -80.335286 9.282131 BFGS: 8164 17:37:31 -81.514002 8.389858 BFGS: 8165 17:37:31 -161.892177 9.485196 BFGS: 8166 17:37:31 -163.169909 8.953941 BFGS: 8167 17:37:31 -80.281397 9.321319 BFGS: 8168 17:37:31 -81.466094 8.427343 BFGS: 8169 17:37:31 -161.952426 9.461380 BFGS: 8170 17:37:31 -163.219602 8.932063 BFGS: 8171 17:37:31 -80.235973 9.354231 BFGS: 8172 17:37:31 -81.425319 8.459131 BFGS: 8173 17:37:31 -162.004156 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8297 17:37:33 -162.005159 9.440468 BFGS: 8298 17:37:33 -82.414537 7.659236 BFGS: 8299 17:37:33 -162.707999 9.152580 BFGS: 8300 17:37:33 -163.011471 9.023042 BFGS: 8301 17:37:33 -80.429078 9.213641 BFGS: 8302 17:37:33 -81.596176 8.325299 BFGS: 8303 17:37:33 -161.790184 9.525284 BFGS: 8304 17:37:33 -163.084890 8.991171 BFGS: 8305 17:37:33 -80.360777 9.263602 BFGS: 8306 17:37:33 -81.536151 8.372541 BFGS: 8307 17:37:33 -161.865103 9.495891 BFGS: 8308 17:37:33 -163.147211 8.963944 BFGS: 8309 17:37:33 -80.302951 9.305723 BFGS: 8310 17:37:33 -81.484992 8.412634 BFGS: 8311 17:37:33 -161.929120 9.470637 BFGS: 8312 17:37:33 -163.200210 8.940660 BFGS: 8313 17:37:33 -80.254126 9.341154 BFGS: 8314 17:37:33 -81.441427 8.446648 BFGS: 8315 17:37:33 -161.983994 9.448887 BFGS: 8316 17:37:33 -163.245362 8.920725 BFGS: 8317 17:37:33 -80.213029 9.370876 BFGS: 8318 17:37:33 -81.404363 8.475490 BFGS: 8319 17:37:33 -162.031190 9.430104 BFGS: 8320 17:37:33 -82.395759 7.674984 BFGS: 8321 17:37:33 -162.730699 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8519 17:37:35 -161.946278 9.463887 BFGS: 8520 17:37:35 -163.213454 8.934859 BFGS: 8521 17:37:35 -80.244296 9.348289 BFGS: 8522 17:37:35 -81.431457 8.454455 BFGS: 8523 17:37:35 -161.998772 9.443054 BFGS: 8524 17:37:35 -163.256617 8.915779 BFGS: 8525 17:37:35 -80.205056 9.376648 BFGS: 8526 17:37:35 -81.396007 8.482020 BFGS: 8527 17:37:35 -162.043958 9.425051 BFGS: 8528 17:37:35 -82.387499 7.681946 BFGS: 8529 17:37:35 -162.741232 9.138586 BFGS: 8530 17:37:35 -163.043086 9.009371 BFGS: 8531 17:37:35 -80.403689 9.232217 BFGS: 8532 17:37:35 -81.571984 8.344382 BFGS: 8533 17:37:35 -161.824309 9.511963 BFGS: 8534 17:37:35 -163.111680 8.979514 BFGS: 8535 17:37:35 -80.339844 9.278847 BFGS: 8536 17:37:35 -81.515759 8.388559 BFGS: 8537 17:37:35 -161.894447 9.484377 BFGS: 8538 17:37:35 -163.169964 8.953990 BFGS: 8539 17:37:35 -80.285813 9.318153 BFGS: 8540 17:37:35 -81.467835 8.426061 BFGS: 8541 17:37:35 -161.954458 9.460650 BFGS: 8542 17:37:35 -163.219577 8.932148 BFGS: 8543 17:37:35 -80.240213 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9.429937 BFGS: 8692 17:37:36 -82.396201 7.674716 BFGS: 8693 17:37:37 -162.730677 9.143083 BFGS: 8694 17:37:37 -163.032985 9.013793 BFGS: 8695 17:37:37 -80.413017 9.225449 BFGS: 8696 17:37:37 -81.580213 8.337959 BFGS: 8697 17:37:37 -161.813749 9.516132 BFGS: 8698 17:37:37 -163.103008 8.983340 BFGS: 8699 17:37:37 -80.347695 9.273187 BFGS: 8700 17:37:37 -81.522800 8.383096 BFGS: 8701 17:37:37 -161.885219 9.488042 BFGS: 8702 17:37:37 -163.162489 8.957313 BFGS: 8703 17:37:37 -80.292376 9.313451 BFGS: 8704 17:37:37 -81.473853 8.421420 BFGS: 8705 17:37:37 -161.946333 9.463897 BFGS: 8706 17:37:37 -163.213107 8.935045 BFGS: 8707 17:37:37 -80.245655 9.347335 BFGS: 8708 17:37:37 -81.432159 8.453948 BFGS: 8709 17:37:37 -161.998752 9.443093 BFGS: 8710 17:37:37 -163.256256 8.915972 BFGS: 8711 17:37:37 -80.206316 9.375770 BFGS: 8712 17:37:37 -81.396676 8.481541 BFGS: 8713 17:37:37 -162.043864 9.425119 BFGS: 8714 17:37:37 -82.387826 7.681720 BFGS: 8715 17:37:37 -162.740991 9.138720 BFGS: 8716 17:37:37 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9.313170 BFGS: 8766 17:37:37 -81.474078 8.421257 BFGS: 8767 17:37:37 -161.946257 9.463936 BFGS: 8768 17:37:37 -163.212961 8.935118 BFGS: 8769 17:37:37 -80.246025 9.347077 BFGS: 8770 17:37:37 -81.432374 8.453793 BFGS: 8771 17:37:37 -161.998656 9.443140 BFGS: 8772 17:37:37 -163.256108 8.916047 BFGS: 8773 17:37:37 -80.206654 9.375536 BFGS: 8774 17:37:37 -81.396880 8.481395 BFGS: 8775 17:37:37 -162.043747 9.425175 BFGS: 8776 17:37:37 -82.387958 7.681624 BFGS: 8777 17:37:37 -162.740861 9.138785 BFGS: 8778 17:37:37 -163.042639 9.009606 BFGS: 8779 17:37:37 -80.405635 9.230828 BFGS: 8780 17:37:37 -81.572966 8.343658 BFGS: 8781 17:37:37 -161.824378 9.511977 BFGS: 8782 17:37:37 -163.111201 8.979764 BFGS: 8783 17:37:37 -80.341694 9.277535 BFGS: 8784 17:37:37 -81.516717 8.387857 BFGS: 8785 17:37:37 -161.894416 9.484429 BFGS: 8786 17:37:37 -163.169462 8.954252 BFGS: 8787 17:37:37 -80.287552 9.316928 BFGS: 8788 17:37:37 -81.468761 8.425389 BFGS: 8789 17:37:37 -161.954333 9.460740 BFGS: 8790 17:37:37 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8815 17:37:38 -162.031552 9.430046 BFGS: 8816 17:37:38 -82.396465 7.674522 BFGS: 8817 17:37:38 -162.730417 9.143212 BFGS: 8818 17:37:38 -163.032706 9.013932 BFGS: 8819 17:37:38 -80.413887 9.224828 BFGS: 8820 17:37:38 -81.580688 8.337607 BFGS: 8821 17:37:38 -161.813646 9.516190 BFGS: 8822 17:37:38 -163.102719 8.983484 BFGS: 8823 17:37:38 -80.348516 9.272604 BFGS: 8824 17:37:38 -81.523260 8.382758 BFGS: 8825 17:37:38 -161.885075 9.488117 BFGS: 8826 17:37:38 -163.162194 8.957461 BFGS: 8827 17:37:38 -80.293143 9.312911 BFGS: 8828 17:37:38 -81.474294 8.421098 BFGS: 8829 17:37:38 -161.946149 9.463987 BFGS: 8830 17:37:38 -163.212806 8.935196 BFGS: 8831 17:37:38 -80.246362 9.346841 BFGS: 8832 17:37:38 -81.432580 8.453644 BFGS: 8833 17:37:38 -161.998529 9.443199 BFGS: 8834 17:37:38 -163.255950 8.916126 BFGS: 8835 17:37:38 -80.206961 9.375324 BFGS: 8836 17:37:38 -81.397075 8.481256 BFGS: 8837 17:37:38 -162.043599 9.425242 BFGS: 8838 17:37:38 -82.388097 7.681520 BFGS: 8839 17:37:38 -162.740712 9.138856 BFGS: 8840 17:37:38 -163.042487 9.009681 BFGS: 8841 17:37:38 -80.406032 9.230544 BFGS: 8842 17:37:38 -81.573194 8.343489 BFGS: 8843 17:37:38 -161.824287 9.512021 BFGS: 8844 17:37:38 -163.111045 8.979840 BFGS: 8845 17:37:38 -80.342067 9.277271 BFGS: 8846 17:37:38 -81.516937 8.387696 BFGS: 8847 17:37:38 -161.894307 9.484480 BFGS: 8848 17:37:38 -163.169304 8.954330 BFGS: 8849 17:37:38 -80.287897 9.316685 BFGS: 8850 17:37:38 -81.468971 8.425236 BFGS: 8851 17:37:38 -161.954205 9.460798 BFGS: 8852 17:37:38 -163.218897 8.932499 BFGS: 8853 17:37:38 -80.242147 9.349855 BFGS: 8854 17:37:38 -81.428109 8.457104 BFGS: 8855 17:37:38 -162.005604 9.440387 BFGS: 8856 17:37:38 -82.415320 7.658723 BFGS: 8857 17:37:38 -162.707703 9.152803 BFGS: 8858 17:37:38 -163.010856 9.023403 BFGS: 8859 17:37:38 -80.434269 9.209904 BFGS: 8860 17:37:38 -81.598541 8.323544 BFGS: 8861 17:37:38 -161.791382 9.524914 BFGS: 8862 17:37:38 -163.084160 8.991585 BFGS: 8863 17:37:38 -80.365787 9.260017 BFGS: 8864 17:37:38 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-81.445847 8.443406 BFGS: 9679 17:37:46 -161.981506 9.450025 BFGS: 9680 17:37:46 -163.242087 8.922340 BFGS: 9681 17:37:46 -80.219744 9.366191 BFGS: 9682 17:37:46 -81.408552 8.472444 BFGS: 9683 17:37:46 -162.028288 9.431408 BFGS: 9684 17:37:46 -82.398643 7.672804 BFGS: 9685 17:37:46 -162.727687 9.144432 BFGS: 9686 17:37:46 -163.030142 9.015110 BFGS: 9687 17:37:46 -80.417938 9.221921 BFGS: 9688 17:37:46 -81.583454 8.335513 BFGS: 9689 17:37:46 -161.810979 9.517299 BFGS: 9690 17:37:46 -163.100173 8.984663 BFGS: 9691 17:37:46 -80.352232 9.269961 BFGS: 9692 17:37:46 -81.525893 8.380781 BFGS: 9693 17:37:46 -161.882256 9.489290 BFGS: 9694 17:37:46 -163.159664 8.958640 BFGS: 9695 17:37:46 -80.296500 9.310547 BFGS: 9696 17:37:46 -81.476786 8.419244 BFGS: 9697 17:37:46 -161.943163 9.465231 BFGS: 9698 17:37:47 -163.210286 8.936379 BFGS: 9699 17:37:47 -80.249341 9.344767 BFGS: 9700 17:37:47 -81.434924 8.451914 BFGS: 9701 17:37:47 -161.995357 9.444520 BFGS: 9702 17:37:47 -163.253433 8.917315 BFGS: 9703 17:37:47 -80.209548 9.373548 BFGS: 9704 17:37:47 -81.399270 8.479652 BFGS: 9705 17:37:47 -162.040224 9.426648 BFGS: 9706 17:37:47 -82.390286 7.679792 BFGS: 9707 17:37:47 -162.737929 9.140098 BFGS: 9708 17:37:47 -163.039894 9.010871 BFGS: 9709 17:37:47 -80.409885 9.227787 BFGS: 9710 17:37:47 -81.575895 8.341448 BFGS: 9711 17:37:47 -161.821473 9.513186 BFGS: 9712 17:37:47 -163.108473 8.981030 BFGS: 9713 17:37:47 -80.345579 9.274780 BFGS: 9714 17:37:47 -81.519502 8.385773 BFGS: 9715 17:37:47 -161.891341 9.485709 BFGS: 9716 17:37:47 -163.166748 8.955521 BFGS: 9717 17:37:47 -80.291048 9.314473 BFGS: 9718 17:37:47 -81.471393 8.423436 BFGS: 9719 17:37:47 -161.951071 9.462099 BFGS: 9720 17:37:47 -163.216350 8.933693 BFGS: 9721 17:37:47 -80.244920 9.347933 BFGS: 9722 17:37:47 -81.430384 8.455428 BFGS: 9723 17:37:47 -162.002284 9.441765 BFGS: 9724 17:37:47 -82.417516 7.656981 BFGS: 9725 17:37:47 -162.704933 9.154033 BFGS: 9726 17:37:47 -163.008259 9.024589 BFGS: 9727 17:37:47 -80.438320 9.206988 BFGS: 9728 17:37:47 -81.601319 8.321432 BFGS: 9729 17:37:47 -161.788672 9.526034 BFGS: 9730 17:37:47 -163.081586 8.992769 BFGS: 9731 17:37:47 -80.369511 9.257358 BFGS: 9732 17:37:47 -81.541138 8.368820 BFGS: 9733 17:37:47 -161.863177 9.496804 BFGS: 9734 17:37:47 -163.143845 8.965580 BFGS: 9735 17:37:47 -80.311107 9.299936 BFGS: 9736 17:37:47 -81.489782 8.409087 BFGS: 9737 17:37:47 -161.926788 9.471712 BFGS: 9738 17:37:47 -163.196797 8.942328 BFGS: 9739 17:37:47 -80.261648 9.335860 BFGS: 9740 17:37:47 -81.445993 8.443295 BFGS: 9741 17:37:47 -161.981252 9.450128 BFGS: 9742 17:37:47 -163.241906 8.922422 BFGS: 9743 17:37:47 -80.219877 9.366099 BFGS: 9744 17:37:47 -81.408689 8.472342 BFGS: 9745 17:37:47 -162.028023 9.431516 BFGS: 9746 17:37:47 -82.398799 7.672677 BFGS: 9747 17:37:47 -162.727478 9.144522 BFGS: 9748 17:37:47 -163.029952 9.015194 BFGS: 9749 17:37:47 -80.418157 9.221763 BFGS: 9750 17:37:47 -81.583626 8.335381 BFGS: 9751 17:37:47 -161.810747 9.517392 BFGS: 9752 17:37:47 -163.099987 8.984747 BFGS: 9753 17:37:47 -80.352428 9.269821 BFGS: 9754 17:37:47 -81.526055 8.380657 BFGS: 9755 17:37:47 -161.882017 9.489386 BFGS: 9756 17:37:47 -163.159481 8.958723 BFGS: 9757 17:37:47 -80.296672 9.310425 BFGS: 9758 17:37:47 -81.476938 8.419128 BFGS: 9759 17:37:47 -161.942914 9.465331 BFGS: 9760 17:37:47 -163.210105 8.936461 BFGS: 9761 17:37:47 -80.249489 9.344663 BFGS: 9762 17:37:47 -81.435066 8.451807 BFGS: 9763 17:37:47 -161.995099 9.444624 BFGS: 9764 17:37:47 -163.253252 8.917398 BFGS: 9765 17:37:47 -80.209671 9.373464 BFGS: 9766 17:37:47 -81.399402 8.479553 BFGS: 9767 17:37:47 -162.039954 9.426757 BFGS: 9768 17:37:47 -82.390442 7.679665 BFGS: 9769 17:37:47 -162.737718 9.140189 BFGS: 9770 17:37:47 -163.039704 9.010956 BFGS: 9771 17:37:47 -80.410092 9.227637 BFGS: 9772 17:37:47 -81.576063 8.341318 BFGS: 9773 17:37:47 -161.821233 9.513282 BFGS: 9774 17:37:47 -163.108286 8.981114 BFGS: 9775 17:37:47 -80.345764 9.274647 BFGS: 9776 17:37:47 -81.519660 8.385652 BFGS: 9777 17:37:47 -161.891094 9.485808 BFGS: 9778 17:37:47 -163.166563 8.955604 BFGS: 9779 17:37:47 -80.291210 9.314359 BFGS: 9780 17:37:47 -81.471541 8.423324 BFGS: 9781 17:37:47 -161.950816 9.462202 BFGS: 9782 17:37:47 -163.216168 8.933776 BFGS: 9783 17:37:47 -80.245056 9.347838 BFGS: 9784 17:37:47 -81.430522 8.455324 BFGS: 9785 17:37:47 -162.002018 9.441873 BFGS: 9786 17:37:47 -82.417673 7.656853 BFGS: 9787 17:37:47 -162.704723 9.154123 BFGS: 9788 17:37:47 -163.008069 9.024674 BFGS: 9789 17:37:47 -80.438543 9.206826 BFGS: 9790 17:37:47 -81.601493 8.321298 BFGS: 9791 17:37:47 -161.788440 9.526127 BFGS: 9792 17:37:47 -163.081400 8.992852 BFGS: 9793 17:37:47 -80.369712 9.257214 BFGS: 9794 17:37:47 -81.541301 8.368694 BFGS: 9795 17:37:47 -161.862940 9.496899 BFGS: 9796 17:37:47 -163.143662 8.965663 BFGS: 9797 17:37:47 -80.311284 9.299810 BFGS: 9798 17:37:47 -81.489936 8.408970 BFGS: 9799 17:37:47 -161.926543 9.471811 BFGS: 9800 17:37:47 -163.196615 8.942410 BFGS: 9801 17:37:47 -80.261801 9.335752 BFGS: 9802 17:37:47 -81.446137 8.443186 BFGS: 9803 17:37:47 -161.980997 9.450230 BFGS: 9804 17:37:47 -163.241726 8.922505 BFGS: 9805 17:37:47 -80.220005 9.366010 BFGS: 9806 17:37:47 -81.408823 8.472242 BFGS: 9807 17:37:47 -162.027757 9.431623 BFGS: 9808 17:37:47 -82.398954 7.672551 BFGS: 9809 17:37:47 -162.727269 9.144612 BFGS: 9810 17:37:48 -163.029763 9.015278 BFGS: 9811 17:37:48 -80.418370 9.221608 BFGS: 9812 17:37:48 -81.583796 8.335250 BFGS: 9813 17:37:48 -161.810513 9.517485 BFGS: 9814 17:37:48 -163.099802 8.984829 BFGS: 9815 17:37:48 -80.352619 9.269684 BFGS: 9816 17:37:48 -81.526215 8.380534 BFGS: 9817 17:37:48 -161.881776 9.489482 BFGS: 9818 17:37:48 -163.159298 8.958806 BFGS: 9819 17:37:48 -80.296839 9.310306 BFGS: 9820 17:37:48 -81.477088 8.419014 BFGS: 9821 17:37:48 -161.942666 9.465431 BFGS: 9822 17:37:48 -163.209924 8.936543 BFGS: 9823 17:37:48 -80.249632 9.344563 BFGS: 9824 17:37:48 -81.435206 8.451702 BFGS: 9825 17:37:48 -161.994841 9.444729 BFGS: 9826 17:37:48 -163.253073 8.917480 BFGS: 9827 17:37:48 -80.209789 9.373382 BFGS: 9828 17:37:48 -81.399532 8.479456 BFGS: 9829 17:37:48 -162.039684 9.426866 BFGS: 9830 17:37:48 -82.390597 7.679539 BFGS: 9831 17:37:48 -162.737508 9.140280 BFGS: 9832 17:37:48 -163.039514 9.011040 BFGS: 9833 17:37:48 -80.410295 9.227490 BFGS: 9834 17:37:48 -81.576228 8.341191 BFGS: 9835 17:37:48 -161.820993 9.513378 BFGS: 9836 17:37:48 -163.108100 8.981198 BFGS: 9837 17:37:48 -80.345944 9.274518 BFGS: 9838 17:37:48 -81.519816 8.385533 BFGS: 9839 17:37:48 -161.890847 9.485907 BFGS: 9840 17:37:48 -163.166380 8.955687 BFGS: 9841 17:37:48 -80.291366 9.314248 BFGS: 9842 17:37:48 -81.471687 8.423213 BFGS: 9843 17:37:48 -161.950561 9.462304 BFGS: 9844 17:37:48 -163.215986 8.933859 BFGS: 9845 17:37:48 -80.245188 9.347745 BFGS: 9846 17:37:48 -81.430658 8.455222 BFGS: 9847 17:37:48 -162.001753 9.441980 BFGS: 9848 17:37:48 -82.417828 7.656726 BFGS: 9849 17:37:48 -162.704515 9.154213 BFGS: 9850 17:37:48 -163.007879 9.024757 BFGS: 9851 17:37:48 -80.438760 9.206668 BFGS: 9852 17:37:48 -81.601664 8.321165 BFGS: 9853 17:37:48 -161.788208 9.526219 BFGS: 9854 17:37:48 -163.081214 8.992935 BFGS: 9855 17:37:48 -80.369908 9.257073 BFGS: 9856 17:37:48 -81.541463 8.368570 BFGS: 9857 17:37:48 -161.862702 9.496995 BFGS: 9858 17:37:48 -163.143479 8.965745 BFGS: 9859 17:37:48 -80.311457 9.299686 BFGS: 9860 17:37:48 -81.490088 8.408855 BFGS: 9861 17:37:48 -161.926297 9.471909 BFGS: 9862 17:37:48 -163.196435 8.942492 BFGS: 9863 17:37:48 -80.261950 9.335647 BFGS: 9864 17:37:48 -81.446279 8.443079 BFGS: 9865 17:37:48 -161.980742 9.450333 BFGS: 9866 17:37:48 -163.241547 8.922586 BFGS: 9867 17:37:48 -80.220129 9.365924 BFGS: 9868 17:37:48 -81.408955 8.472143 BFGS: 9869 17:37:48 -162.027492 9.431731 BFGS: 9870 17:37:48 -82.399108 7.672425 BFGS: 9871 17:37:48 -162.727061 9.144702 BFGS: 9872 17:37:48 -163.029575 9.015362 BFGS: 9873 17:37:48 -80.418578 9.221457 BFGS: 9874 17:37:48 -81.583963 8.335121 BFGS: 9875 17:37:48 -161.810278 9.517579 BFGS: 9876 17:37:48 -163.099617 8.984912 BFGS: 9877 17:37:48 -80.352805 9.269550 BFGS: 9878 17:37:48 -81.526372 8.380414 BFGS: 9879 17:37:48 -161.881535 9.489579 BFGS: 9880 17:37:48 -163.159117 8.958887 BFGS: 9881 17:37:48 -80.297002 9.310190 BFGS: 9882 17:37:48 -81.477235 8.418902 BFGS: 9883 17:37:48 -161.942417 9.465531 BFGS: 9884 17:37:48 -163.209745 8.936625 BFGS: 9885 17:37:48 -80.249770 9.344466 BFGS: 9886 17:37:48 -81.435344 8.451598 BFGS: 9887 17:37:48 -161.994582 9.444833 BFGS: 9888 17:37:48 -163.252895 8.917561 BFGS: 9889 17:37:48 -80.209903 9.373304 BFGS: 9890 17:37:48 -81.399660 8.479361 BFGS: 9891 17:37:48 -162.039414 9.426975 BFGS: 9892 17:37:48 -82.390751 7.679413 BFGS: 9893 17:37:48 -162.737298 9.140371 BFGS: 9894 17:37:48 -163.039325 9.011124 BFGS: 9895 17:37:48 -80.410493 9.227347 BFGS: 9896 17:37:48 -81.576392 8.341065 BFGS: 9897 17:37:48 -161.820752 9.513474 BFGS: 9898 17:37:48 -163.107915 8.981280 BFGS: 9899 17:37:48 -80.346120 9.274392 BFGS: 9900 17:37:48 -81.519970 8.385415 BFGS: 9901 17:37:48 -161.890600 9.486006 BFGS: 9902 17:37:48 -163.166198 8.955769 BFGS: 9903 17:37:48 -80.291518 9.314140 BFGS: 9904 17:37:48 -81.471831 8.423104 BFGS: 9905 17:37:48 -161.950305 9.462407 BFGS: 9906 17:37:48 -163.215806 8.933941 BFGS: 9907 17:37:48 -80.245317 9.347656 BFGS: 9908 17:37:48 -81.430792 8.455121 BFGS: 9909 17:37:48 -162.001488 9.442086 BFGS: 9910 17:37:48 -82.417982 7.656600 BFGS: 9911 17:37:48 -162.704306 9.154302 BFGS: 9912 17:37:48 -163.007690 9.024841 BFGS: 9913 17:37:48 -80.438973 9.206513 BFGS: 9914 17:37:48 -81.601833 8.321034 BFGS: 9915 17:37:48 -161.787976 9.526312 BFGS: 9916 17:37:48 -163.081029 8.993017 BFGS: 9917 17:37:48 -80.370099 9.256935 BFGS: 9918 17:37:48 -81.541622 8.368447 BFGS: 9919 17:37:48 -161.862463 9.497090 BFGS: 9920 17:37:48 -163.143297 8.965826 BFGS: 9921 17:37:48 -80.311625 9.299566 BFGS: 9922 17:37:48 -81.490237 8.408740 BFGS: 9923 17:37:48 -161.926052 9.472008 BFGS: 9924 17:37:48 -163.196256 8.942573 BFGS: 9925 17:37:48 -80.262094 9.335545 BFGS: 9926 17:37:48 -81.446419 8.442973 BFGS: 9927 17:37:48 -161.980488 9.450435 BFGS: 9928 17:37:48 -163.241369 8.922667 BFGS: 9929 17:37:48 -80.220249 9.365840 BFGS: 9930 17:37:48 -81.409085 8.472046 BFGS: 9931 17:37:49 -162.027227 9.431837 BFGS: 9932 17:37:49 -82.399261 7.672300 BFGS: 9933 17:37:49 -162.726854 9.144791 BFGS: 9934 17:37:49 -163.029388 9.015444 BFGS: 9935 17:37:49 -80.418782 9.221310 BFGS: 9936 17:37:49 -81.584127 8.334993 BFGS: 9937 17:37:49 -161.810043 9.517672 BFGS: 9938 17:37:49 -163.099434 8.984994 BFGS: 9939 17:37:49 -80.352987 9.269419 BFGS: 9940 17:37:49 -81.526527 8.380295 BFGS: 9941 17:37:49 -161.881294 9.489675 BFGS: 9942 17:37:49 -163.158936 8.958968 BFGS: 9943 17:37:49 -80.297161 9.310077 BFGS: 9944 17:37:49 -81.477380 8.418792 BFGS: 9945 17:37:49 -161.942168 9.465630 BFGS: 9946 17:37:49 -163.209566 8.936705 BFGS: 9947 17:37:49 -80.249905 9.344371 BFGS: 9948 17:37:49 -81.435479 8.451496 BFGS: 9949 17:37:49 -161.994324 9.444937 BFGS: 9950 17:37:49 -163.252718 8.917642 BFGS: 9951 17:37:49 -80.210013 9.373227 BFGS: 9952 17:37:49 -81.399786 8.479267 BFGS: 9953 17:37:49 -162.039145 9.427083 BFGS: 9954 17:37:49 -82.390903 7.679288 BFGS: 9955 17:37:49 -162.737090 9.140460 BFGS: 9956 17:37:49 -163.039138 9.011207 BFGS: 9957 17:37:49 -80.410687 9.227207 BFGS: 9958 17:37:49 -81.576553 8.340940 BFGS: 9959 17:37:49 -161.820511 9.513570 BFGS: 9960 17:37:49 -163.107731 8.981362 BFGS: 9961 17:37:49 -80.346291 9.274269 BFGS: 9962 17:37:49 -81.520121 8.385299 BFGS: 9963 17:37:49 -161.890353 9.486105 BFGS: 9964 17:37:49 -163.166017 8.955850 BFGS: 9965 17:37:49 -80.291667 9.314035 BFGS: 9966 17:37:49 -81.471972 8.422996 BFGS: 9967 17:37:49 -161.950050 9.462509 BFGS: 9968 17:37:49 -163.215627 8.934022 BFGS: 9969 17:37:49 -80.245441 9.347569 BFGS: 9970 17:37:49 -81.430924 8.455022 BFGS: 9971 17:37:49 -162.001223 9.442193 BFGS: 9972 17:37:49 -82.418135 7.656474 BFGS: 9973 17:37:49 -162.704099 9.154391 BFGS: 9974 17:37:49 -163.007502 9.024923 BFGS: 9975 17:37:49 -80.439181 9.206362 BFGS: 9976 17:37:49 -81.601999 8.320905 BFGS: 9977 17:37:49 -161.787743 9.526404 BFGS: 9978 17:37:49 -163.080846 8.993099 BFGS: 9979 17:37:49 -80.370285 9.256800 BFGS: 9980 17:37:49 -81.541779 8.368326 BFGS: 9981 17:37:49 -161.862225 9.497185 BFGS: 9982 17:37:49 -163.143117 8.965907 BFGS: 9983 17:37:49 -80.311789 9.299449 BFGS: 9984 17:37:49 -81.490384 8.408628 BFGS: 9985 17:37:49 -161.925807 9.472106 BFGS: 9986 17:37:49 -163.196078 8.942653 BFGS: 9987 17:37:49 -80.262235 9.335445 BFGS: 9988 17:37:49 -81.446556 8.442869 BFGS: 9989 17:37:49 -161.980234 9.450537 BFGS: 9990 17:37:49 -163.241193 8.922747 BFGS: 9991 17:37:49 -80.220366 9.365759 BFGS: 9992 17:37:49 -81.409212 8.471949 BFGS: 9993 17:37:49 -162.026962 9.431944 BFGS: 9994 17:37:49 -82.399413 7.672176 BFGS: 9995 17:37:49 -162.726648 9.144880 BFGS: 9996 17:37:49 -163.029202 9.015527 BFGS: 9997 17:37:49 -80.418981 9.221165 BFGS: 9998 17:37:49 -81.584290 8.334868 BFGS: 9999 17:37:49 -161.809809 9.517765 BFGS: 10000 17:37:49 -163.099252 8.985075 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 5.818204355379102 eV/Angstrom Maximum stress component: 0.35151173816988995 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.31850168 0.31850168 0.31850168] [0.68149832 0.68149832 0.31850168] [0.68149832 0.31850168 0.68149832] [0.31850168 0.68149832 0.68149832] [0.31850168 0.31850168 0.68149832] [0.68149832 0.68149832 0.68149832] [0.31850168 0.68149832 0.31850168] [0.68149832 0.31850168 0.31850168] [0.5 0.1913011 0.1913011 ] [0.5 0.8086989 0.1913011 ] [0.5 0.1913011 0.8086989 ] [0.5 0.8086989 0.8086989 ] [0.1913011 0.5 0.1913011 ] [0.1913011 0.5 0.8086989 ] [0.8086989 0.5 0.1913011 ] [0.8086989 0.5 0.8086989 ] [0.1913011 0.1913011 0.5 ] [0.8086989 0.1913011 0.5 ] [0.1913011 0.8086989 0.5 ] [0.8086989 0.8086989 0.5 ]] cellpar = Cell([[5.6947155541700365, 3.952030281983761e-31, 9.361924197737659e-32], [7.733811473559389e-32, 5.6947155541700365, 1.6907716080360702e-17], [-8.724715243254104e-32, 1.690771608036057e-17, 5.6947155541700365]]) forces = [[-2.02484429e+00 -2.02484429e+00 -2.02484429e+00] [ 2.02484429e+00 2.02484429e+00 -2.02484429e+00] [ 2.02484429e+00 -2.02484429e+00 2.02484429e+00] [-2.02484429e+00 2.02484429e+00 2.02484429e+00] [-2.02484429e+00 -2.02484429e+00 2.02484429e+00] [ 2.02484429e+00 2.02484429e+00 2.02484429e+00] [-2.02484429e+00 2.02484429e+00 -2.02484429e+00] [ 2.02484429e+00 -2.02484429e+00 -2.02484429e+00] [-1.01239133e-32 5.81820436e+00 5.81820436e+00] [-3.16304658e-30 -5.81820436e+00 5.81820436e+00] [ 1.66560042e-30 5.81820436e+00 -5.81820436e+00] [-1.48732224e-30 -5.81820436e+00 -5.81820436e+00] [ 5.81820436e+00 1.72743566e-17 5.81820436e+00] [ 5.81820436e+00 -1.72743566e-17 -5.81820436e+00] [-5.81820436e+00 1.72743566e-17 5.81820436e+00] [-5.81820436e+00 -1.72743566e-17 -5.81820436e+00] [ 5.81820436e+00 5.81820436e+00 1.72743566e-17] [-5.81820436e+00 5.81820436e+00 1.72743566e-17] [ 5.81820436e+00 -5.81820436e+00 -1.72743566e-17] [-5.81820436e+00 -5.81820436e+00 -1.72743566e-17]] stress = [ 3.51511738e-01 3.51511738e-01 3.51511738e-01 2.18790844e-18 -2.43251967e-32 1.42475537e-48] energy per atom = -8.154962589828687 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0