element(s): ['C', 'H', 'N'] AFLOW prototype label: AB2C2_oP40_61_c_2c_2c Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['7.0164', '1.2412063', '1.0495838', '0.05969915', '0.76418814', '0.8630541', '0.11575454', '0.98374928', '0.78887849', '0.27462955', '0.89710372', '0.95215505', '0.15961953', '0.89034722', '0.86490724', '0.97089669', '0.6492836', '0.8625055'] model name: Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'H', 'H', 'N', 'N'] representative atom coordinates = [[0.05969915 0.76418814 0.8630541 ] [0.11575454 0.98374928 0.78887849] [0.27462955 0.89710372 0.95215505] [0.15961953 0.89034722 0.86490724] [0.97089669 0.6492836 0.8625055 ]] spacegroup = 61 cell = [[7.0164, 0, 0], [0, 8.7088, 0], [0, 0, 7.3643]] ========================================= Step Time Energy fmax BFGS: 0 07:06:06 -177.184659 15.326692 BFGS: 1 07:06:06 -183.298539 13.831146 BFGS: 2 07:06:07 -185.795685 4.114095 BFGS: 3 07:06:07 -185.517439 9.361277 BFGS: 4 07:06:08 -186.167782 1.595603 BFGS: 5 07:06:09 -186.161869 2.989475 BFGS: 6 07:06:09 -186.335711 0.940555 BFGS: 7 07:06:10 -186.381621 1.776278 BFGS: 8 07:06:10 -186.456611 0.591298 BFGS: 9 07:06:11 -186.485453 0.580456 BFGS: 10 07:06:11 -186.504772 0.944748 BFGS: 11 07:06:12 -186.527718 0.317586 BFGS: 12 07:06:13 -186.600560 1.056591 BFGS: 13 07:06:13 -186.732206 1.161863 BFGS: 14 07:06:14 -186.831946 1.487627 BFGS: 15 07:06:14 -186.864600 1.761288 BFGS: 16 07:06:15 -186.934613 1.520927 BFGS: 17 07:06:16 -187.081309 1.032178 BFGS: 18 07:06:17 -187.189858 0.623435 BFGS: 19 07:06:17 -187.207885 1.258733 BFGS: 20 07:06:18 -187.240738 0.413041 BFGS: 21 07:06:18 -187.256321 0.251085 BFGS: 22 07:06:19 -187.268836 0.597015 BFGS: 23 07:06:20 -187.291187 0.454249 BFGS: 24 07:06:20 -187.332059 0.841364 BFGS: 25 07:06:21 -187.345428 0.472978 BFGS: 26 07:06:21 -187.355591 0.357279 BFGS: 27 07:06:22 -187.378095 0.955597 BFGS: 28 07:06:23 -187.399162 0.833967 BFGS: 29 07:06:23 -187.455047 0.822887 BFGS: 30 07:06:24 -187.489498 0.660173 BFGS: 31 07:06:25 -187.503918 0.510640 BFGS: 32 07:06:25 -187.511437 1.128287 BFGS: 33 07:06:26 -187.502136 0.745473 BFGS: 34 07:06:27 -187.513813 0.877235 BFGS: 35 07:06:27 -187.517241 1.249515 BFGS: 36 07:06:28 -187.520364 0.228629 BFGS: 37 07:06:29 -187.522604 0.413657 BFGS: 38 07:06:30 -187.537514 1.032957 BFGS: 39 07:06:31 -187.559907 1.073512 BFGS: 40 07:06:31 -187.585338 1.090627 BFGS: 41 07:06:32 -187.611788 1.076305 BFGS: 42 07:06:33 -187.637350 1.055803 BFGS: 43 07:06:34 -187.666355 1.025946 BFGS: 44 07:06:35 -187.694813 0.998769 BFGS: 45 07:06:36 -187.715136 0.969932 BFGS: 46 07:06:36 -187.729734 0.932723 BFGS: 47 07:06:37 -187.739691 0.894594 BFGS: 48 07:06:37 -187.748570 0.563760 BFGS: 49 07:06:38 -187.753486 0.586456 BFGS: 50 07:06:39 -187.760723 0.565727 BFGS: 51 07:06:40 -187.764818 1.179274 BFGS: 52 07:06:41 -187.769076 0.491730 BFGS: 53 07:06:41 -187.775165 0.326602 BFGS: 54 07:06:42 -187.776981 0.976289 BFGS: 55 07:06:43 -187.763671 0.563846 BFGS: 56 07:06:44 -187.777283 0.332214 BFGS: 57 07:06:45 -187.779164 0.343524 BFGS: 58 07:06:46 -187.784658 0.556778 BFGS: 59 07:06:47 -187.789629 0.332840 BFGS: 60 07:06:47 -187.798193 0.269826 BFGS: 61 07:06:48 -187.810673 0.269125 BFGS: 62 07:06:49 -187.821857 0.759764 BFGS: 63 07:06:50 -187.831417 0.720622 BFGS: 64 07:06:50 -187.841538 0.895869 BFGS: 65 07:06:51 -187.850911 0.606953 BFGS: 66 07:06:51 -187.860396 0.957668 BFGS: 67 07:06:52 -187.869089 0.445517 BFGS: 68 07:06:53 -187.876719 0.504293 BFGS: 69 07:06:53 -187.883220 0.332438 BFGS: 70 07:06:54 -187.888709 0.341072 BFGS: 71 07:06:55 -187.893392 0.345363 BFGS: 72 07:06:56 -187.896661 0.262410 BFGS: 73 07:06:56 -187.899822 0.678634 BFGS: 74 07:06:57 -187.901878 0.688902 BFGS: 75 07:06:57 -187.904560 0.625553 BFGS: 76 07:06:58 -187.910584 0.174781 BFGS: 77 07:06:58 -187.918533 0.415647 BFGS: 78 07:06:59 -187.922927 0.374633 BFGS: 79 07:07:00 -187.928370 0.351834 BFGS: 80 07:07:01 -187.939941 0.365186 BFGS: 81 07:07:02 -187.955018 0.427730 BFGS: 82 07:07:03 -187.969431 0.456838 BFGS: 83 07:07:03 -187.979256 0.479405 BFGS: 84 07:07:04 -187.988643 0.498016 BFGS: 85 07:07:05 -187.997759 0.514634 BFGS: 86 07:07:06 -188.010117 0.529708 BFGS: 87 07:07:07 -188.018996 0.544148 BFGS: 88 07:07:07 -188.033026 0.557351 BFGS: 89 07:07:08 -188.041778 0.570161 BFGS: 90 07:07:09 -188.050402 0.581745 BFGS: 91 07:07:10 -188.058883 0.593239 BFGS: 92 07:07:12 -188.067240 0.604323 BFGS: 93 07:07:12 -188.075473 0.615091 BFGS: 94 07:07:13 -188.083584 0.625560 BFGS: 95 07:07:14 -188.091571 0.635763 BFGS: 96 07:07:15 -188.104538 0.645727 BFGS: 97 07:07:16 -188.112268 0.655369 BFGS: 98 07:07:16 -188.119909 0.664948 BFGS: 99 07:07:17 -188.127435 0.674343 BFGS: 100 07:07:17 -188.134834 0.683528 BFGS: 101 07:07:18 -188.142097 0.692537 BFGS: 102 07:07:19 -188.149216 0.701381 BFGS: 103 07:07:20 -188.156182 0.710075 BFGS: 104 07:07:21 -188.162990 0.718627 BFGS: 105 07:07:22 -188.173926 0.727043 BFGS: 106 07:07:22 -188.180447 0.735818 BFGS: 107 07:07:23 -188.187521 0.743651 BFGS: 108 07:07:24 -188.193733 0.751792 BFGS: 109 07:07:24 -188.199748 0.759687 BFGS: 110 07:07:25 -188.205570 0.767479 BFGS: 111 07:07:25 -188.211193 0.775134 BFGS: 112 07:07:26 -188.219186 0.782676 BFGS: 113 07:07:26 -188.224336 0.790408 BFGS: 114 07:07:27 -188.229343 0.797368 BFGS: 115 07:07:28 -188.234118 0.804754 BFGS: 116 07:07:29 -188.238684 0.811736 BFGS: 117 07:07:29 -188.243007 0.818769 BFGS: 118 07:07:30 -188.247092 0.825575 BFGS: 119 07:07:32 -188.250922 0.832342 BFGS: 120 07:07:33 -188.254497 0.838956 BFGS: 121 07:07:34 -188.257808 0.845521 BFGS: 122 07:07:35 -188.260856 0.851993 BFGS: 123 07:07:36 -188.263637 0.858464 BFGS: 124 07:07:36 -188.266155 0.864960 BFGS: 125 07:07:37 -188.268443 0.871647 BFGS: 126 07:07:39 -188.270465 0.878739 BFGS: 127 07:07:40 -188.274033 0.886613 BFGS: 128 07:07:41 -188.274044 0.903299 BFGS: 129 07:07:41 -188.277262 0.923353 BFGS: 130 07:07:43 -188.277629 1.031280 BFGS: 131 07:07:43 -188.283664 0.590585 BFGS: 132 07:07:44 -188.281117 0.478936 BFGS: 133 07:07:44 -188.279226 1.030908 BFGS: 134 07:07:45 -188.280311 1.175874 BFGS: 135 07:07:46 -188.278247 0.747233 BFGS: 136 07:07:46 -188.279683 0.751665 BFGS: 137 07:07:48 -188.272858 0.970033 BFGS: 138 07:07:48 -188.279659 0.864201 BFGS: 139 07:07:49 -188.272631 0.754707 BFGS: 140 07:07:50 -188.277822 0.745004 BFGS: 141 07:07:51 -188.272306 0.948336 BFGS: 142 07:07:51 -188.281313 0.338969 BFGS: 143 07:07:52 -188.272556 0.744563 BFGS: 144 07:07:52 -188.277993 0.727913 BFGS: 145 07:07:53 -188.269977 0.950425 BFGS: 146 07:07:54 -188.280503 0.831308 BFGS: 147 07:07:55 -188.267899 0.760098 BFGS: 148 07:07:56 -188.275750 0.733782 BFGS: 149 07:07:56 -188.270269 0.937527 BFGS: 150 07:07:57 -188.281176 0.798903 BFGS: 151 07:07:58 -188.278735 0.889413 BFGS: 152 07:07:58 -188.281224 0.758166 BFGS: 153 07:07:59 -188.263839 0.772763 BFGS: 154 07:08:00 -188.274259 0.729980 BFGS: 155 07:08:01 -188.268742 0.925213 BFGS: 156 07:08:02 -188.280937 0.748330 BFGS: 157 07:08:03 -188.278817 0.874709 BFGS: 158 07:08:04 -188.281797 0.556379 BFGS: 159 07:08:04 -188.267913 0.746301 BFGS: 160 07:08:05 -188.275919 0.711997 BFGS: 161 07:08:06 -188.263359 0.926426 BFGS: 162 07:08:06 -188.281251 0.779165 BFGS: 163 07:08:07 -188.261156 0.773811 BFGS: 164 07:08:08 -188.273461 0.722584 BFGS: 165 07:08:09 -188.266045 0.914870 BFGS: 166 07:08:10 -188.281347 0.742689 BFGS: 167 07:08:10 -188.278321 0.863081 BFGS: 168 07:08:11 -188.281884 0.691280 BFGS: 169 07:08:12 -188.263945 0.761236 BFGS: 170 07:08:13 -188.274466 0.715977 BFGS: 171 07:08:14 -188.264716 0.911733 BFGS: 172 07:08:14 -188.282115 0.799114 BFGS: 173 07:08:15 -188.277816 0.865911 BFGS: 174 07:08:16 -188.281444 0.799442 BFGS: 175 07:08:17 -188.264068 0.760857 BFGS: 176 07:08:18 -188.274889 0.714493 BFGS: 177 07:08:19 -188.265210 0.908568 BFGS: 178 07:08:20 -188.282304 0.783947 BFGS: 179 07:08:21 -188.278134 0.861491 BFGS: 180 07:08:22 -188.281778 0.786412 BFGS: 181 07:08:22 -188.264620 0.758295 BFGS: 182 07:08:23 -188.275185 0.712821 BFGS: 183 07:08:24 -188.265964 0.904284 BFGS: 184 07:08:25 -188.282467 0.767007 BFGS: 185 07:08:25 -188.278586 0.855398 BFGS: 186 07:08:26 -188.282200 0.762924 BFGS: 187 07:08:27 -188.265437 0.754154 BFGS: 188 07:08:28 -188.275577 0.710404 BFGS: 189 07:08:29 -188.266990 0.898420 BFGS: 190 07:08:30 -188.282624 0.751966 BFGS: 191 07:08:31 -188.279160 0.847510 BFGS: 192 07:08:32 -188.282687 0.724430 BFGS: 193 07:08:32 -188.266573 0.747712 BFGS: 194 07:08:33 -188.276107 0.706466 BFGS: 195 07:08:34 -188.268268 0.890489 BFGS: 196 07:08:35 -188.282990 0.738449 BFGS: 197 07:08:36 -188.279826 0.837734 BFGS: 198 07:08:37 -188.283399 0.661618 BFGS: 199 07:08:38 -188.267758 0.739615 BFGS: 200 07:08:39 -188.276711 0.700354 BFGS: 201 07:08:39 -188.269670 0.880078 BFGS: 202 07:08:39 -188.283180 0.723156 BFGS: 203 07:08:39 -188.280549 0.825959 BFGS: 204 07:08:40 -188.283940 0.537229 BFGS: 205 07:08:41 -188.270068 0.722874 BFGS: 206 07:08:41 -188.277885 0.688138 BFGS: 207 07:08:42 -188.271380 0.864794 BFGS: 208 07:08:42 -188.283564 0.710048 BFGS: 209 07:08:43 -188.281411 0.814237 BFGS: 210 07:08:44 -188.284315 0.498552 BFGS: 211 07:08:44 -188.272071 0.706065 BFGS: 212 07:08:45 -188.278868 0.675405 BFGS: 213 07:08:46 -188.273052 0.848071 BFGS: 214 07:08:47 -188.283886 0.691080 BFGS: 215 07:08:48 -188.282169 0.799596 BFGS: 216 07:08:48 -188.284785 0.242532 BFGS: 217 07:08:49 -188.282099 0.645202 BFGS: 218 07:08:50 -188.283563 0.644346 BFGS: 219 07:08:51 -188.266818 0.854250 BFGS: 220 07:08:52 -188.281211 0.808495 BFGS: 221 07:08:53 -188.273950 0.684770 BFGS: 222 07:08:54 -188.280680 0.654836 BFGS: 223 07:08:55 -188.269888 0.845595 BFGS: 224 07:08:55 -188.284716 0.710767 BFGS: 225 07:08:56 -188.269198 0.708086 BFGS: 226 07:08:57 -188.278220 0.667340 BFGS: 227 07:08:58 -188.271842 0.838554 BFGS: 228 07:08:58 -188.284629 0.672159 BFGS: 229 07:08:59 -188.282466 0.788339 BFGS: 230 07:09:00 -188.285532 0.485341 BFGS: 231 07:09:01 -188.271629 0.692833 BFGS: 232 07:09:02 -188.279533 0.656360 BFGS: 233 07:09:02 -188.273385 0.825195 BFGS: 234 07:09:03 -188.285145 0.665495 BFGS: 235 07:09:04 -188.283089 0.777585 BFGS: 236 07:09:05 -188.285917 0.501979 BFGS: 237 07:09:05 -188.273250 0.681363 BFGS: 238 07:09:05 -188.280306 0.648107 BFGS: 239 07:09:06 -188.274941 0.811483 BFGS: 240 07:09:06 -188.285438 0.651454 BFGS: 241 07:09:07 -188.284032 0.761070 BFGS: 242 07:09:08 -188.286444 0.813795 BFGS: 243 07:09:08 -188.285779 0.708472 BFGS: 244 07:09:09 -188.286395 0.607084 BFGS: 245 07:09:10 -188.281617 0.628738 BFGS: 246 07:09:10 -188.283955 0.616552 BFGS: 247 07:09:11 -188.281965 0.752309 BFGS: 248 07:09:12 -188.286082 0.616984 BFGS: 249 07:09:12 -188.287206 0.755006 BFGS: 250 07:09:13 -188.273752 0.803875 BFGS: 251 07:09:14 -188.284040 0.766527 BFGS: 252 07:09:15 -188.278830 0.649867 BFGS: 253 07:09:15 -188.283943 0.625121 BFGS: 254 07:09:16 -188.274251 0.802974 BFGS: 255 07:09:17 -188.288013 0.458997 BFGS: 256 07:09:18 -188.275472 0.667104 BFGS: 257 07:09:19 -188.282483 0.631989 BFGS: 258 07:09:20 -188.276865 0.794940 BFGS: 259 07:09:20 -188.287701 0.623488 BFGS: 260 07:09:21 -188.286494 0.747880 BFGS: 261 07:09:22 -188.288834 0.790767 BFGS: 262 07:09:23 -188.288620 0.696705 BFGS: 263 07:09:24 -188.289255 0.653105 BFGS: 264 07:09:25 -188.289378 0.563524 BFGS: 265 07:09:26 -188.289971 0.558302 BFGS: 266 07:09:27 -188.295871 1.110568 BFGS: 267 07:09:28 -188.299232 0.328447 BFGS: 268 07:09:29 -188.304165 0.277926 BFGS: 269 07:09:30 -188.307183 0.238090 BFGS: 270 07:09:31 -188.309860 0.213284 BFGS: 271 07:09:32 -188.312235 0.202634 BFGS: 272 07:09:32 -188.314316 0.207195 BFGS: 273 07:09:33 -188.316136 0.225669 BFGS: 274 07:09:33 -188.320545 0.255688 BFGS: 275 07:09:34 -188.321977 0.290791 BFGS: 276 07:09:35 -188.323248 0.332267 BFGS: 277 07:09:35 -188.324369 0.379546 BFGS: 278 07:09:36 -188.326683 0.431634 BFGS: 279 07:09:37 -188.327548 0.482625 BFGS: 280 07:09:38 -188.328345 0.534628 BFGS: 281 07:09:38 -188.329064 0.583794 BFGS: 282 07:09:39 -188.329756 0.627369 BFGS: 283 07:09:40 -188.330428 0.661542 BFGS: 284 07:09:41 -188.329115 0.683744 BFGS: 285 07:09:41 -188.329697 0.700496 BFGS: 286 07:09:43 -188.330474 0.702052 BFGS: 287 07:09:44 -188.331129 0.683680 BFGS: 288 07:09:45 -188.331911 0.563578 BFGS: 289 07:09:45 -188.332158 0.432957 BFGS: 290 07:09:46 -188.332628 0.467735 BFGS: 291 07:09:47 -188.338306 0.583521 BFGS: 292 07:09:48 -188.338888 0.591273 BFGS: 293 07:09:50 -188.339788 0.599443 BFGS: 294 07:09:51 -188.343385 0.618306 BFGS: 295 07:09:51 -188.344945 0.632101 BFGS: 296 07:09:52 -188.346468 0.629278 BFGS: 297 07:09:53 -188.347067 0.606696 BFGS: 298 07:09:54 -188.348154 0.575282 BFGS: 299 07:09:55 -188.348716 0.525635 BFGS: 300 07:09:55 -188.349478 0.430329 BFGS: 301 07:09:56 -188.353152 0.324011 BFGS: 302 07:09:57 -188.353688 0.225508 BFGS: 303 07:09:57 -188.354268 0.847691 BFGS: 304 07:09:58 -188.354921 0.408130 BFGS: 305 07:09:59 -188.352655 0.280031 BFGS: 306 07:10:00 -188.353502 0.245296 BFGS: 307 07:10:01 -188.357765 0.515536 BFGS: 308 07:10:02 -188.361688 1.206679 BFGS: 309 07:10:03 -188.362832 0.669288 BFGS: 310 07:10:05 -188.364023 0.683764 BFGS: 311 07:10:06 -188.364561 0.673536 BFGS: 312 07:10:07 -188.365757 0.643876 BFGS: 313 07:10:07 -188.366924 0.623400 BFGS: 314 07:10:08 -188.372565 0.575603 BFGS: 315 07:10:09 -188.376183 0.494935 BFGS: 316 07:10:09 -188.378839 0.445749 BFGS: 317 07:10:10 -188.380497 0.364610 BFGS: 318 07:10:11 -188.381131 0.269446 BFGS: 319 07:10:12 -188.384562 0.264807 BFGS: 320 07:10:13 -188.387206 0.458240 BFGS: 321 07:10:13 -188.388418 0.473795 BFGS: 322 07:10:14 -188.389317 0.505332 BFGS: 323 07:10:14 -188.389813 0.505476 BFGS: 324 07:10:15 -188.390264 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-188.520774 0.311086 BFGS: 5721 08:14:34 -188.500910 0.398862 BFGS: 5722 08:14:35 -188.516039 0.294500 BFGS: 5723 08:14:35 -188.504067 0.371799 BFGS: 5724 08:14:35 -188.520774 0.311134 BFGS: 5725 08:14:36 -188.500910 0.398880 BFGS: 5726 08:14:36 -188.516039 0.294513 BFGS: 5727 08:14:37 -188.504067 0.371798 BFGS: 5728 08:14:39 -188.520773 0.311181 BFGS: 5729 08:14:40 -188.500911 0.398898 BFGS: 5730 08:14:40 -188.516039 0.294525 BFGS: 5731 08:14:41 -188.504067 0.371797 BFGS: 5732 08:14:41 -188.520773 0.311229 BFGS: 5733 08:14:42 -188.500911 0.398916 BFGS: 5734 08:14:43 -188.516039 0.294538 BFGS: 5735 08:14:43 -188.504067 0.371796 BFGS: 5736 08:14:44 -188.520773 0.311276 BFGS: 5737 08:14:44 -188.500911 0.398933 BFGS: 5738 08:14:45 -188.516040 0.294551 BFGS: 5739 08:14:46 -188.504067 0.371796 BFGS: 5740 08:14:46 -188.520773 0.311323 BFGS: 5741 08:14:47 -188.500911 0.398951 BFGS: 5742 08:14:48 -188.516040 0.294563 BFGS: 5743 08:14:48 -188.504068 0.371796 BFGS: 5744 08:14:49 -188.520773 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-188.500915 0.399160 BFGS: 5794 08:15:23 -188.516043 0.294724 BFGS: 5795 08:15:23 -188.504068 0.371814 BFGS: 5796 08:15:24 -188.520770 0.311972 BFGS: 5797 08:15:25 -188.500916 0.399175 BFGS: 5798 08:15:25 -188.516044 0.294736 BFGS: 5799 08:15:26 -188.504068 0.371816 BFGS: 5800 08:15:26 -188.520770 0.312017 BFGS: 5801 08:15:27 -188.500916 0.399190 BFGS: 5802 08:15:28 -188.516044 0.294748 BFGS: 5803 08:15:28 -188.504068 0.371820 BFGS: 5804 08:15:29 -188.520770 0.312063 BFGS: 5805 08:15:30 -188.500917 0.399205 BFGS: 5806 08:15:30 -188.516044 0.294760 BFGS: 5807 08:15:31 -188.504068 0.371823 BFGS: 5808 08:15:32 -188.520769 0.312108 BFGS: 5809 08:15:32 -188.500917 0.399220 BFGS: 5810 08:15:33 -188.516044 0.294772 BFGS: 5811 08:15:33 -188.504068 0.371826 BFGS: 5812 08:15:34 -188.520769 0.312153 BFGS: 5813 08:15:35 -188.500917 0.399235 BFGS: 5814 08:15:36 -188.516045 0.294784 BFGS: 5815 08:15:37 -188.504068 0.371830 BFGS: 5816 08:15:38 -188.520769 0.312199 BFGS: 5817 08:15:38 -188.500918 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-188.520685 0.325073 BFGS: 7181 08:28:49 -188.501040 0.403144 BFGS: 7182 08:28:50 -188.516111 0.298774 BFGS: 7183 08:28:51 -188.503890 0.375598 BFGS: 7184 08:28:51 -188.520685 0.325106 BFGS: 7185 08:28:52 -188.501040 0.403156 BFGS: 7186 08:28:52 -188.516111 0.298786 BFGS: 7187 08:28:53 -188.503889 0.375610 BFGS: 7188 08:28:53 -188.520684 0.325139 BFGS: 7189 08:28:54 -188.501040 0.403167 BFGS: 7190 08:28:54 -188.516111 0.298798 BFGS: 7191 08:28:55 -188.503889 0.375623 BFGS: 7192 08:28:55 -188.520684 0.325171 BFGS: 7193 08:28:56 -188.501040 0.403179 BFGS: 7194 08:28:57 -188.516111 0.298810 BFGS: 7195 08:28:58 -188.503888 0.375636 BFGS: 7196 08:28:58 -188.520684 0.325204 BFGS: 7197 08:28:59 -188.501040 0.403191 BFGS: 7198 08:29:00 -188.516111 0.298822 BFGS: 7199 08:29:00 -188.503888 0.375648 BFGS: 7200 08:29:01 -188.520684 0.325237 BFGS: 7201 08:29:02 -188.501041 0.403202 BFGS: 7202 08:29:03 -188.516111 0.298834 BFGS: 7203 08:29:03 -188.503887 0.375661 BFGS: 7204 08:29:04 -188.520683 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-188.516115 0.299204 BFGS: 7327 08:30:16 -188.503868 0.376050 BFGS: 7328 08:30:17 -188.520676 0.326274 BFGS: 7329 08:30:17 -188.501046 0.403577 BFGS: 7330 08:30:18 -188.516115 0.299216 BFGS: 7331 08:30:18 -188.503868 0.376062 BFGS: 7332 08:30:19 -188.520676 0.326306 BFGS: 7333 08:30:20 -188.501046 0.403589 BFGS: 7334 08:30:20 -188.516115 0.299228 BFGS: 7335 08:30:21 -188.503867 0.376075 BFGS: 7336 08:30:21 -188.520675 0.326338 BFGS: 7337 08:30:22 -188.501046 0.403601 BFGS: 7338 08:30:22 -188.516116 0.299240 BFGS: 7339 08:30:23 -188.503866 0.376087 BFGS: 7340 08:30:24 -188.520675 0.326370 BFGS: 7341 08:30:25 -188.501046 0.403613 BFGS: 7342 08:30:25 -188.516116 0.299252 BFGS: 7343 08:30:26 -188.503866 0.376100 BFGS: 7344 08:30:26 -188.520675 0.326402 BFGS: 7345 08:30:27 -188.501046 0.403625 BFGS: 7346 08:30:28 -188.516116 0.299265 BFGS: 7347 08:30:28 -188.503865 0.376113 BFGS: 7348 08:30:29 -188.520675 0.326434 BFGS: 7349 08:30:29 -188.501046 0.403636 BFGS: 7350 08:30:30 -188.516116 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-188.503857 0.376276 BFGS: 7400 08:30:58 -188.520671 0.326847 BFGS: 7401 08:30:59 -188.501048 0.403791 BFGS: 7402 08:31:00 -188.516118 0.299433 BFGS: 7403 08:31:00 -188.503856 0.376289 BFGS: 7404 08:31:01 -188.520671 0.326879 BFGS: 7405 08:31:01 -188.501048 0.403802 BFGS: 7406 08:31:02 -188.516118 0.299445 BFGS: 7407 08:31:03 -188.503856 0.376302 BFGS: 7408 08:31:04 -188.520671 0.326910 BFGS: 7409 08:31:04 -188.501048 0.403814 BFGS: 7410 08:31:05 -188.516118 0.299457 BFGS: 7411 08:31:05 -188.503855 0.376314 BFGS: 7412 08:31:06 -188.520671 0.326942 BFGS: 7413 08:31:06 -188.501049 0.403826 BFGS: 7414 08:31:07 -188.516118 0.299469 BFGS: 7415 08:31:07 -188.503855 0.376327 BFGS: 7416 08:31:08 -188.520670 0.326974 BFGS: 7417 08:31:08 -188.501049 0.403838 BFGS: 7418 08:31:09 -188.516118 0.299481 BFGS: 7419 08:31:10 -188.503854 0.376340 BFGS: 7420 08:31:10 -188.520670 0.327005 BFGS: 7421 08:31:10 -188.501049 0.403850 BFGS: 7422 08:31:11 -188.516118 0.299493 BFGS: 7423 08:31:12 -188.503853 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-188.520667 0.327414 BFGS: 7473 08:31:42 -188.501050 0.404006 BFGS: 7474 08:31:43 -188.516120 0.299651 BFGS: 7475 08:31:44 -188.503845 0.376517 BFGS: 7476 08:31:44 -188.520667 0.327445 BFGS: 7477 08:31:45 -188.501050 0.404017 BFGS: 7478 08:31:46 -188.516120 0.299663 BFGS: 7479 08:31:46 -188.503845 0.376529 BFGS: 7480 08:31:47 -188.520667 0.327476 BFGS: 7481 08:31:48 -188.501051 0.404029 BFGS: 7482 08:31:48 -188.516120 0.299675 BFGS: 7483 08:31:49 -188.503844 0.376542 BFGS: 7484 08:31:50 -188.520666 0.327508 BFGS: 7485 08:31:50 -188.501051 0.404041 BFGS: 7486 08:31:51 -188.516120 0.299687 BFGS: 7487 08:31:51 -188.503844 0.376554 BFGS: 7488 08:31:52 -188.520666 0.327539 BFGS: 7489 08:31:52 -188.501051 0.404053 BFGS: 7490 08:31:53 -188.516120 0.299699 BFGS: 7491 08:31:54 -188.503843 0.376567 BFGS: 7492 08:31:54 -188.520666 0.327570 BFGS: 7493 08:31:55 -188.501051 0.404065 BFGS: 7494 08:31:55 -188.516120 0.299711 BFGS: 7495 08:31:56 -188.503842 0.376580 BFGS: 7496 08:31:56 -188.520666 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-188.503812 0.377202 BFGS: 7692 08:33:52 -188.520654 0.329105 BFGS: 7693 08:33:53 -188.501055 0.404673 BFGS: 7694 08:33:54 -188.516125 0.300322 BFGS: 7695 08:33:54 -188.503811 0.377215 BFGS: 7696 08:33:55 -188.520654 0.329135 BFGS: 7697 08:33:55 -188.501055 0.404685 BFGS: 7698 08:33:56 -188.516126 0.300334 BFGS: 7699 08:33:56 -188.503811 0.377228 BFGS: 7700 08:33:57 -188.520654 0.329166 BFGS: 7701 08:33:58 -188.501055 0.404697 BFGS: 7702 08:33:58 -188.516126 0.300347 BFGS: 7703 08:33:59 -188.503810 0.377241 BFGS: 7704 08:33:59 -188.520653 0.329196 BFGS: 7705 08:34:00 -188.501055 0.404709 BFGS: 7706 08:34:01 -188.516126 0.300359 BFGS: 7707 08:34:02 -188.503810 0.377253 BFGS: 7708 08:34:03 -188.520653 0.329226 BFGS: 7709 08:34:04 -188.501055 0.404722 BFGS: 7710 08:34:05 -188.516126 0.300371 BFGS: 7711 08:34:06 -188.503809 0.377266 BFGS: 7712 08:34:06 -188.520653 0.329256 BFGS: 7713 08:34:06 -188.501055 0.404734 BFGS: 7714 08:34:07 -188.516126 0.300384 BFGS: 7715 08:34:07 -188.503808 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-188.520650 0.329646 BFGS: 7765 08:34:34 -188.501056 0.404894 BFGS: 7766 08:34:34 -188.516127 0.300544 BFGS: 7767 08:34:35 -188.503800 0.377445 BFGS: 7768 08:34:35 -188.520650 0.329676 BFGS: 7769 08:34:36 -188.501056 0.404907 BFGS: 7770 08:34:36 -188.516127 0.300556 BFGS: 7771 08:34:37 -188.503800 0.377458 BFGS: 7772 08:34:38 -188.520649 0.329706 BFGS: 7773 08:34:39 -188.501056 0.404919 BFGS: 7774 08:34:39 -188.516127 0.300569 BFGS: 7775 08:34:40 -188.503799 0.377470 BFGS: 7776 08:34:40 -188.520649 0.329736 BFGS: 7777 08:34:41 -188.501056 0.404931 BFGS: 7778 08:34:41 -188.516128 0.300581 BFGS: 7779 08:34:42 -188.503798 0.377483 BFGS: 7780 08:34:43 -188.520649 0.329766 BFGS: 7781 08:34:43 -188.501056 0.404944 BFGS: 7782 08:34:44 -188.516128 0.300593 BFGS: 7783 08:34:45 -188.503798 0.377496 BFGS: 7784 08:34:45 -188.520649 0.329795 BFGS: 7785 08:34:46 -188.501056 0.404956 BFGS: 7786 08:34:46 -188.516128 0.300606 BFGS: 7787 08:34:47 -188.503797 0.377509 BFGS: 7788 08:34:48 -188.520648 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-188.501057 0.405118 BFGS: 7838 08:35:17 -188.516129 0.300767 BFGS: 7839 08:35:18 -188.503789 0.377675 BFGS: 7840 08:35:19 -188.520645 0.330211 BFGS: 7841 08:35:20 -188.501057 0.405130 BFGS: 7842 08:35:20 -188.516129 0.300779 BFGS: 7843 08:35:21 -188.503788 0.377688 BFGS: 7844 08:35:22 -188.520645 0.330240 BFGS: 7845 08:35:22 -188.501057 0.405143 BFGS: 7846 08:35:23 -188.516129 0.300792 BFGS: 7847 08:35:23 -188.503788 0.377701 BFGS: 7848 08:35:23 -188.520645 0.330270 BFGS: 7849 08:35:24 -188.501057 0.405155 BFGS: 7850 08:35:24 -188.516129 0.300804 BFGS: 7851 08:35:25 -188.503787 0.377714 BFGS: 7852 08:35:25 -188.520645 0.330299 BFGS: 7853 08:35:26 -188.501057 0.405167 BFGS: 7854 08:35:27 -188.516129 0.300817 BFGS: 7855 08:35:27 -188.503786 0.377726 BFGS: 7856 08:35:28 -188.520644 0.330329 BFGS: 7857 08:35:28 -188.501057 0.405180 BFGS: 7858 08:35:29 -188.516129 0.300829 BFGS: 7859 08:35:30 -188.503786 0.377739 BFGS: 7860 08:35:30 -188.520644 0.330358 BFGS: 7861 08:35:31 -188.501057 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-188.520633 0.331781 BFGS: 8057 08:37:27 -188.501057 0.405810 BFGS: 8058 08:37:28 -188.516134 0.301455 BFGS: 8059 08:37:29 -188.503755 0.378382 BFGS: 8060 08:37:30 -188.520632 0.331809 BFGS: 8061 08:37:31 -188.501057 0.405823 BFGS: 8062 08:37:32 -188.516134 0.301468 BFGS: 8063 08:37:33 -188.503754 0.378395 BFGS: 8064 08:37:33 -188.520632 0.331838 BFGS: 8065 08:37:34 -188.501057 0.405836 BFGS: 8066 08:37:35 -188.516134 0.301480 BFGS: 8067 08:37:35 -188.503753 0.378408 BFGS: 8068 08:37:36 -188.520632 0.331867 BFGS: 8069 08:37:36 -188.501057 0.405849 BFGS: 8070 08:37:37 -188.516134 0.301493 BFGS: 8071 08:37:37 -188.503753 0.378421 BFGS: 8072 08:37:38 -188.520632 0.331895 BFGS: 8073 08:37:39 -188.501057 0.405861 BFGS: 8074 08:37:39 -188.516134 0.301505 BFGS: 8075 08:37:41 -188.503752 0.378434 BFGS: 8076 08:37:41 -188.520632 0.331924 BFGS: 8077 08:37:42 -188.501057 0.405874 BFGS: 8078 08:37:44 -188.516134 0.301518 BFGS: 8079 08:37:44 -188.503751 0.378447 BFGS: 8080 08:37:45 -188.520631 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-188.501056 0.406041 BFGS: 8130 08:38:17 -188.516135 0.301682 BFGS: 8131 08:38:17 -188.503743 0.378615 BFGS: 8132 08:38:18 -188.520628 0.332322 BFGS: 8133 08:38:18 -188.501056 0.406053 BFGS: 8134 08:38:19 -188.516135 0.301695 BFGS: 8135 08:38:19 -188.503743 0.378628 BFGS: 8136 08:38:20 -188.520628 0.332350 BFGS: 8137 08:38:20 -188.501056 0.406066 BFGS: 8138 08:38:21 -188.516135 0.301708 BFGS: 8139 08:38:21 -188.503742 0.378641 BFGS: 8140 08:38:22 -188.520628 0.332378 BFGS: 8141 08:38:22 -188.501056 0.406079 BFGS: 8142 08:38:23 -188.516135 0.301720 BFGS: 8143 08:38:23 -188.503741 0.378654 BFGS: 8144 08:38:24 -188.520628 0.332406 BFGS: 8145 08:38:24 -188.501056 0.406092 BFGS: 8146 08:38:25 -188.516135 0.301733 BFGS: 8147 08:38:25 -188.503741 0.378667 BFGS: 8148 08:38:26 -188.520627 0.332435 BFGS: 8149 08:38:26 -188.501056 0.406105 BFGS: 8150 08:38:27 -188.516135 0.301746 BFGS: 8151 08:38:27 -188.503740 0.378680 BFGS: 8152 08:38:28 -188.520627 0.332463 BFGS: 8153 08:38:28 -188.501056 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-188.516136 0.301911 BFGS: 8203 08:38:52 -188.503732 0.378848 BFGS: 8204 08:38:53 -188.520624 0.332829 BFGS: 8205 08:38:53 -188.501055 0.406285 BFGS: 8206 08:38:54 -188.516136 0.301924 BFGS: 8207 08:38:54 -188.503731 0.378861 BFGS: 8208 08:38:55 -188.520624 0.332857 BFGS: 8209 08:38:56 -188.501055 0.406298 BFGS: 8210 08:38:56 -188.516136 0.301936 BFGS: 8211 08:38:57 -188.503731 0.378874 BFGS: 8212 08:38:58 -188.520624 0.332885 BFGS: 8213 08:38:59 -188.501055 0.406311 BFGS: 8214 08:38:59 -188.516136 0.301949 BFGS: 8215 08:39:00 -188.503730 0.378887 BFGS: 8216 08:39:01 -188.520624 0.332913 BFGS: 8217 08:39:01 -188.501055 0.406324 BFGS: 8218 08:39:02 -188.516137 0.301962 BFGS: 8219 08:39:02 -188.503729 0.378900 BFGS: 8220 08:39:03 -188.520623 0.332941 BFGS: 8221 08:39:04 -188.501055 0.406337 BFGS: 8222 08:39:04 -188.516137 0.301975 BFGS: 8223 08:39:04 -188.503729 0.378913 BFGS: 8224 08:39:05 -188.520623 0.332969 BFGS: 8225 08:39:05 -188.501055 0.406350 BFGS: 8226 08:39:06 -188.516137 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-188.501051 0.406990 BFGS: 8422 08:41:05 -188.516140 0.302616 BFGS: 8423 08:41:06 -188.503697 0.379564 BFGS: 8424 08:41:06 -188.520612 0.334347 BFGS: 8425 08:41:07 -188.501051 0.407004 BFGS: 8426 08:41:07 -188.516140 0.302629 BFGS: 8427 08:41:08 -188.503696 0.379577 BFGS: 8428 08:41:08 -188.520611 0.334375 BFGS: 8429 08:41:09 -188.501051 0.407017 BFGS: 8430 08:41:09 -188.516140 0.302642 BFGS: 8431 08:41:10 -188.503696 0.379590 BFGS: 8432 08:41:10 -188.520611 0.334402 BFGS: 8433 08:41:11 -188.501051 0.407030 BFGS: 8434 08:41:11 -188.516140 0.302655 BFGS: 8435 08:41:12 -188.503695 0.379603 BFGS: 8436 08:41:12 -188.520611 0.334429 BFGS: 8437 08:41:13 -188.501051 0.407043 BFGS: 8438 08:41:13 -188.516140 0.302668 BFGS: 8439 08:41:14 -188.503694 0.379616 BFGS: 8440 08:41:15 -188.520611 0.334456 BFGS: 8441 08:41:15 -188.501051 0.407056 BFGS: 8442 08:41:16 -188.516140 0.302681 BFGS: 8443 08:41:16 -188.503694 0.379629 BFGS: 8444 08:41:17 -188.520611 0.334483 BFGS: 8445 08:41:17 -188.501051 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-188.516141 0.302850 BFGS: 8495 08:41:46 -188.503685 0.379799 BFGS: 8496 08:41:46 -188.520608 0.334835 BFGS: 8497 08:41:46 -188.501049 0.407242 BFGS: 8498 08:41:47 -188.516141 0.302863 BFGS: 8499 08:41:48 -188.503685 0.379812 BFGS: 8500 08:41:48 -188.520607 0.334862 BFGS: 8501 08:41:49 -188.501049 0.407255 BFGS: 8502 08:41:49 -188.516141 0.302876 BFGS: 8503 08:41:50 -188.503684 0.379826 BFGS: 8504 08:41:50 -188.520607 0.334889 BFGS: 8505 08:41:51 -188.501049 0.407268 BFGS: 8506 08:41:52 -188.516141 0.302889 BFGS: 8507 08:41:52 -188.503683 0.379839 BFGS: 8508 08:41:53 -188.520607 0.334916 BFGS: 8509 08:41:53 -188.501049 0.407282 BFGS: 8510 08:41:54 -188.516141 0.302902 BFGS: 8511 08:41:54 -188.503683 0.379852 BFGS: 8512 08:41:55 -188.520607 0.334943 BFGS: 8513 08:41:55 -188.501049 0.407295 BFGS: 8514 08:41:56 -188.516141 0.302915 BFGS: 8515 08:41:56 -188.503682 0.379865 BFGS: 8516 08:41:57 -188.520607 0.334969 BFGS: 8517 08:41:57 -188.501049 0.407308 BFGS: 8518 08:41:58 -188.516141 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-188.516144 0.303807 BFGS: 8787 08:44:50 -188.503638 0.380760 BFGS: 8788 08:44:50 -188.520591 0.336766 BFGS: 8789 08:44:51 -188.501039 0.408224 BFGS: 8790 08:44:52 -188.516145 0.303820 BFGS: 8791 08:44:52 -188.503638 0.380773 BFGS: 8792 08:44:53 -188.520591 0.336792 BFGS: 8793 08:44:53 -188.501039 0.408238 BFGS: 8794 08:44:54 -188.516145 0.303833 BFGS: 8795 08:44:55 -188.503637 0.380786 BFGS: 8796 08:44:55 -188.520591 0.336818 BFGS: 8797 08:44:56 -188.501039 0.408252 BFGS: 8798 08:44:56 -188.516145 0.303847 BFGS: 8799 08:44:57 -188.503636 0.380800 BFGS: 8800 08:44:58 -188.520591 0.336844 BFGS: 8801 08:44:58 -188.501039 0.408265 BFGS: 8802 08:44:59 -188.516145 0.303860 BFGS: 8803 08:44:59 -188.503636 0.380813 BFGS: 8804 08:45:00 -188.520590 0.336870 BFGS: 8805 08:45:01 -188.501039 0.408279 BFGS: 8806 08:45:02 -188.516145 0.303873 BFGS: 8807 08:45:03 -188.503635 0.380826 BFGS: 8808 08:45:03 -188.520590 0.336896 BFGS: 8809 08:45:04 -188.501039 0.408293 BFGS: 8810 08:45:04 -188.516145 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-188.503627 0.380998 BFGS: 8860 08:45:38 -188.520587 0.337232 BFGS: 8861 08:45:38 -188.501036 0.408471 BFGS: 8862 08:45:39 -188.516145 0.304059 BFGS: 8863 08:45:40 -188.503626 0.381011 BFGS: 8864 08:45:40 -188.520587 0.337258 BFGS: 8865 08:45:41 -188.501036 0.408484 BFGS: 8866 08:45:41 -188.516145 0.304072 BFGS: 8867 08:45:42 -188.503625 0.381025 BFGS: 8868 08:45:42 -188.520587 0.337284 BFGS: 8869 08:45:43 -188.501036 0.408498 BFGS: 8870 08:45:44 -188.516145 0.304086 BFGS: 8871 08:45:44 -188.503625 0.381038 BFGS: 8872 08:45:45 -188.520587 0.337309 BFGS: 8873 08:45:45 -188.501036 0.408512 BFGS: 8874 08:45:46 -188.516145 0.304099 BFGS: 8875 08:45:46 -188.503624 0.381051 BFGS: 8876 08:45:47 -188.520586 0.337335 BFGS: 8877 08:45:48 -188.501036 0.408525 BFGS: 8878 08:45:49 -188.516145 0.304112 BFGS: 8879 08:45:50 -188.503623 0.381065 BFGS: 8880 08:45:51 -188.520586 0.337361 BFGS: 8881 08:45:52 -188.501035 0.408539 BFGS: 8882 08:45:53 -188.516145 0.304126 BFGS: 8883 08:45:54 -188.503623 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0.412199 BFGS: 9906 08:55:40 -188.516150 0.307646 BFGS: 9907 08:55:41 -188.503453 0.384534 BFGS: 9908 08:55:41 -188.520531 0.343611 BFGS: 9909 08:55:42 -188.500969 0.412214 BFGS: 9910 08:55:43 -188.516150 0.307660 BFGS: 9911 08:55:43 -188.503453 0.384548 BFGS: 9912 08:55:44 -188.520531 0.343634 BFGS: 9913 08:55:44 -188.500968 0.412229 BFGS: 9914 08:55:45 -188.516150 0.307674 BFGS: 9915 08:55:45 -188.503452 0.384562 BFGS: 9916 08:55:46 -188.520531 0.343658 BFGS: 9917 08:55:46 -188.500968 0.412244 BFGS: 9918 08:55:47 -188.516150 0.307688 BFGS: 9919 08:55:47 -188.503451 0.384575 BFGS: 9920 08:55:48 -188.520530 0.343681 BFGS: 9921 08:55:49 -188.500968 0.412259 BFGS: 9922 08:55:49 -188.516150 0.307702 BFGS: 9923 08:55:50 -188.503450 0.384589 BFGS: 9924 08:55:50 -188.520530 0.343704 BFGS: 9925 08:55:51 -188.500967 0.412273 BFGS: 9926 08:55:51 -188.516150 0.307717 BFGS: 9927 08:55:52 -188.503450 0.384603 BFGS: 9928 08:55:52 -188.520530 0.343727 BFGS: 9929 08:55:53 -188.500967 0.412288 BFGS: 9930 08:55:53 -188.516150 0.307731 BFGS: 9931 08:55:54 -188.503449 0.384617 BFGS: 9932 08:55:55 -188.520530 0.343750 BFGS: 9933 08:55:55 -188.500967 0.412303 BFGS: 9934 08:55:56 -188.516150 0.307745 BFGS: 9935 08:55:56 -188.503448 0.384630 BFGS: 9936 08:55:57 -188.520530 0.343773 BFGS: 9937 08:55:57 -188.500966 0.412318 BFGS: 9938 08:55:58 -188.516150 0.307759 BFGS: 9939 08:55:58 -188.503448 0.384644 BFGS: 9940 08:55:59 -188.520529 0.343796 BFGS: 9941 08:55:59 -188.500966 0.412333 BFGS: 9942 08:56:00 -188.516150 0.307773 BFGS: 9943 08:56:01 -188.503447 0.384658 BFGS: 9944 08:56:01 -188.520529 0.343819 BFGS: 9945 08:56:02 -188.500966 0.412348 BFGS: 9946 08:56:02 -188.516150 0.307787 BFGS: 9947 08:56:03 -188.503446 0.384672 BFGS: 9948 08:56:04 -188.520529 0.343842 BFGS: 9949 08:56:04 -188.500965 0.412363 BFGS: 9950 08:56:05 -188.516150 0.307802 BFGS: 9951 08:56:06 -188.503446 0.384686 BFGS: 9952 08:56:07 -188.520529 0.343865 BFGS: 9953 08:56:07 -188.500965 0.412377 BFGS: 9954 08:56:08 -188.516150 0.307816 BFGS: 9955 08:56:08 -188.503445 0.384699 BFGS: 9956 08:56:09 -188.520529 0.343888 BFGS: 9957 08:56:10 -188.500965 0.412392 BFGS: 9958 08:56:10 -188.516150 0.307830 BFGS: 9959 08:56:11 -188.503444 0.384713 BFGS: 9960 08:56:11 -188.520528 0.343911 BFGS: 9961 08:56:12 -188.500964 0.412407 BFGS: 9962 08:56:12 -188.516150 0.307844 BFGS: 9963 08:56:13 -188.503444 0.384727 BFGS: 9964 08:56:14 -188.520528 0.343934 BFGS: 9965 08:56:14 -188.500964 0.412422 BFGS: 9966 08:56:15 -188.516150 0.307858 BFGS: 9967 08:56:15 -188.503443 0.384741 BFGS: 9968 08:56:16 -188.520528 0.343957 BFGS: 9969 08:56:16 -188.500964 0.412437 BFGS: 9970 08:56:17 -188.516150 0.307873 BFGS: 9971 08:56:17 -188.503442 0.384754 BFGS: 9972 08:56:18 -188.520528 0.343980 BFGS: 9973 08:56:18 -188.500963 0.412452 BFGS: 9974 08:56:19 -188.516150 0.307887 BFGS: 9975 08:56:19 -188.503442 0.384768 BFGS: 9976 08:56:20 -188.520527 0.344003 BFGS: 9977 08:56:21 -188.500963 0.412467 BFGS: 9978 08:56:21 -188.516150 0.307901 BFGS: 9979 08:56:22 -188.503441 0.384782 BFGS: 9980 08:56:23 -188.520527 0.344026 BFGS: 9981 08:56:24 -188.500963 0.412482 BFGS: 9982 08:56:25 -188.516150 0.307915 BFGS: 9983 08:56:26 -188.503440 0.384796 BFGS: 9984 08:56:27 -188.520527 0.344049 BFGS: 9985 08:56:28 -188.500962 0.412496 BFGS: 9986 08:56:29 -188.516150 0.307930 BFGS: 9987 08:56:29 -188.503440 0.384809 BFGS: 9988 08:56:30 -188.520527 0.344072 BFGS: 9989 08:56:30 -188.500962 0.412511 BFGS: 9990 08:56:31 -188.516150 0.307944 BFGS: 9991 08:56:31 -188.503439 0.384823 BFGS: 9992 08:56:32 -188.520527 0.344095 BFGS: 9993 08:56:32 -188.500962 0.412526 BFGS: 9994 08:56:33 -188.516150 0.307958 BFGS: 9995 08:56:33 -188.503438 0.384837 BFGS: 9996 08:56:34 -188.520526 0.344118 BFGS: 9997 08:56:34 -188.500961 0.412541 BFGS: 9998 08:56:35 -188.516150 0.307972 BFGS: 9999 08:56:35 -188.503438 0.384851 BFGS: 10000 08:56:36 -188.520526 0.344141 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.38168248422787243 eV/Angstrom Maximum stress component: 0.00013670158332648732 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] basis = [[1.11295392e-01 7.83474703e-01 8.56372922e-01] [3.88704608e-01 2.16525297e-01 3.56372922e-01] [8.88704608e-01 2.83474703e-01 6.43627078e-01] [6.11295392e-01 7.16525297e-01 1.43627078e-01] [8.88704608e-01 2.16525297e-01 1.43627078e-01] [6.11295392e-01 7.83474703e-01 6.43627078e-01] [1.11295392e-01 7.16525297e-01 3.56372922e-01] [3.88704608e-01 2.83474703e-01 8.56372922e-01] [4.05284593e-02 9.63230834e-01 7.55654876e-01] [4.59471541e-01 3.67691662e-02 2.55654876e-01] [9.59471541e-01 4.63230834e-01 7.44345124e-01] [5.40528459e-01 5.36769166e-01 2.44345124e-01] [9.59471541e-01 3.67691662e-02 2.44345124e-01] [5.40528459e-01 9.63230834e-01 7.44345124e-01] [4.05284593e-02 5.36769166e-01 2.55654876e-01] [4.59471541e-01 4.63230834e-01 7.55654876e-01] [2.20839061e-01 9.45274378e-01 9.99636531e-01] [2.79160939e-01 5.47256223e-02 4.99636531e-01] [7.79160939e-01 4.45274378e-01 5.00363469e-01] [7.20839061e-01 5.54725622e-01 3.63469489e-04] [7.79160939e-01 5.47256223e-02 3.63469489e-04] [7.20839061e-01 9.45274378e-01 5.00363469e-01] [2.20839061e-01 5.54725622e-01 4.99636531e-01] [2.79160939e-01 4.45274378e-01 9.99636531e-01] [1.67782576e-01 9.19050135e-01 8.44364560e-01] [3.32217424e-01 8.09498650e-02 3.44364560e-01] [8.32217424e-01 4.19050135e-01 6.55635440e-01] [6.67782576e-01 5.80949865e-01 1.55635440e-01] [8.32217424e-01 8.09498650e-02 1.55635440e-01] [6.67782576e-01 9.19050135e-01 6.55635440e-01] [1.67782576e-01 5.80949865e-01 3.44364560e-01] [3.32217424e-01 4.19050135e-01 8.44364560e-01] [6.66985819e-02 6.76185994e-01 8.65962432e-01] [4.33301418e-01 3.23814006e-01 3.65962432e-01] [9.33301418e-01 1.76185994e-01 6.34037568e-01] [5.66698582e-01 8.23814006e-01 1.34037568e-01] [9.33301418e-01 3.23814006e-01 1.34037568e-01] [5.66698582e-01 6.76185994e-01 6.34037568e-01] [6.66985819e-02 8.23814006e-01 3.65962432e-01] [4.33301418e-01 1.76185994e-01 8.65962432e-01]] cellpar = Cell([[6.047466170872633, -8.262400512862678e-35, 0.0], [-7.602415698819099e-35, 9.946861786202454, 0.0], [0.0, 0.0, 6.168963365335481]]) forces = [[ 3.81682484e-01 -8.76534540e-02 -1.62829170e-02] [-3.81682484e-01 8.76534540e-02 -1.62829170e-02] [-3.81682484e-01 -8.76534540e-02 1.62829170e-02] [ 3.81682484e-01 8.76534540e-02 1.62829170e-02] [-3.81682484e-01 8.76534540e-02 1.62829170e-02] [ 3.81682484e-01 -8.76534540e-02 1.62829170e-02] [ 3.81682484e-01 8.76534540e-02 -1.62829170e-02] [-3.81682484e-01 -8.76534540e-02 -1.62829170e-02] [-4.60878629e-04 1.36613420e-04 6.00643379e-04] [ 4.60878629e-04 -1.36613420e-04 6.00643379e-04] [ 4.60878629e-04 1.36613420e-04 -6.00643379e-04] [-4.60878629e-04 -1.36613420e-04 -6.00643379e-04] [ 4.60878629e-04 -1.36613420e-04 -6.00643379e-04] [-4.60878629e-04 1.36613420e-04 -6.00643379e-04] [-4.60878629e-04 -1.36613420e-04 6.00643379e-04] [ 4.60878629e-04 1.36613420e-04 6.00643379e-04] [-1.07524007e-03 2.27360679e-04 3.91219953e-04] [ 1.07524007e-03 -2.27360679e-04 3.91219953e-04] [ 1.07524007e-03 2.27360679e-04 -3.91219953e-04] [-1.07524007e-03 -2.27360679e-04 -3.91219953e-04] [ 1.07524007e-03 -2.27360679e-04 -3.91219953e-04] [-1.07524007e-03 2.27360679e-04 -3.91219953e-04] [-1.07524007e-03 -2.27360679e-04 3.91219953e-04] [ 1.07524007e-03 2.27360679e-04 3.91219953e-04] [-1.67567383e-01 3.58022744e-02 6.20897123e-03] [ 1.67567383e-01 -3.58022744e-02 6.20897123e-03] [ 1.67567383e-01 3.58022744e-02 -6.20897123e-03] [-1.67567383e-01 -3.58022744e-02 -6.20897123e-03] [ 1.67567383e-01 -3.58022744e-02 -6.20897123e-03] [-1.67567383e-01 3.58022744e-02 -6.20897123e-03] [-1.67567383e-01 -3.58022744e-02 6.20897123e-03] [ 1.67567383e-01 3.58022744e-02 6.20897123e-03] [-2.12508191e-01 5.14992029e-02 9.09494297e-03] [ 2.12508191e-01 -5.14992029e-02 9.09494297e-03] [ 2.12508191e-01 5.14992029e-02 -9.09494297e-03] [-2.12508191e-01 -5.14992029e-02 -9.09494297e-03] [ 2.12508191e-01 -5.14992029e-02 -9.09494297e-03] [-2.12508191e-01 5.14992029e-02 -9.09494297e-03] [-2.12508191e-01 -5.14992029e-02 9.09494297e-03] [ 2.12508191e-01 5.14992029e-02 9.09494297e-03]] stress = [-7.84071217e-07 1.36701583e-04 -7.44591563e-06 0.00000000e+00 0.00000000e+00 3.35722824e-30] energy per atom = -4.650605730818487 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0