element(s): ['C'] AFLOW prototype label: A_hP8_194_ef Parameter names: ['a', 'c/a', 'z1', 'z2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.5188', '3.2978799', '0.092975226', '0.65554043'] model name: Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C'] representative atom coordinates = [[0. 0. 0.09297523] [0.33333333 0.66666667 0.65554043]] spacegroup = 194 cell = [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]] ========================================= Step Time Energy fmax BFGS: 0 15:37:51 -66.472459 8.979924 BFGS: 1 15:37:51 -67.786538 8.711572 BFGS: 2 15:37:51 -69.096167 9.184424 BFGS: 3 15:37:51 -69.516532 2.864037 BFGS: 4 15:37:51 -69.150621 4.743900 BFGS: 5 15:37:51 -69.637597 3.176622 BFGS: 6 15:37:51 -69.103060 4.133346 BFGS: 7 15:37:51 -69.666143 2.378532 BFGS: 8 15:37:52 -69.118144 5.001379 BFGS: 9 15:37:52 -69.624443 2.888269 BFGS: 10 15:37:52 -69.076586 8.430384 BFGS: 11 15:37:52 -69.653347 2.676033 BFGS: 12 15:37:52 -69.283364 3.602186 BFGS: 13 15:37:52 -69.663553 2.696079 BFGS: 14 15:37:52 -69.019244 3.792690 BFGS: 15 15:37:52 -69.620917 2.380224 BFGS: 16 15:37:52 -69.111597 4.788987 BFGS: 17 15:37:52 -69.634042 2.664429 BFGS: 18 15:37:53 -69.107257 5.035412 BFGS: 19 15:37:53 -69.656910 2.429955 BFGS: 20 15:37:53 -69.179185 4.365211 BFGS: 21 15:37:53 -69.640742 2.625344 BFGS: 22 15:37:53 -69.126388 4.584619 BFGS: 23 15:37:53 -69.656168 2.381965 BFGS: 24 15:37:53 -69.155726 4.553596 BFGS: 25 15:37:53 -69.636886 2.602268 BFGS: 26 15:37:53 -69.162601 4.522239 BFGS: 27 15:37:53 -69.665313 2.356111 BFGS: 28 15:37:54 -69.206098 4.266164 BFGS: 29 15:37:54 -69.645850 2.622766 BFGS: 30 15:37:54 -69.179231 4.516244 BFGS: 31 15:37:54 -69.665141 2.339057 BFGS: 32 15:37:54 -69.204803 4.298864 BFGS: 33 15:37:54 -69.646120 2.613334 BFGS: 34 15:37:54 -69.204491 4.396870 BFGS: 35 15:37:54 -69.669971 2.316407 BFGS: 36 15:37:54 -69.226917 4.179965 BFGS: 37 15:37:54 -69.650446 2.617847 BFGS: 38 15:37:55 -69.222242 4.361526 BFGS: 39 15:37:55 -69.671952 2.300330 BFGS: 40 15:37:55 -69.234567 4.149872 BFGS: 41 15:37:55 -69.652237 2.613852 BFGS: 42 15:37:55 -69.241061 4.284534 BFGS: 43 15:37:55 -69.674989 2.282291 BFGS: 44 15:37:55 -69.246993 4.086901 BFGS: 45 15:37:55 -69.654932 2.612341 BFGS: 46 15:37:55 -69.256846 4.232500 BFGS: 47 15:37:55 -69.677200 2.266784 BFGS: 48 15:37:55 -69.256500 4.040953 BFGS: 49 15:37:56 -69.657130 2.609300 BFGS: 50 15:37:56 -69.271585 4.177181 BFGS: 51 15:37:56 -69.679398 2.251585 BFGS: 52 15:37:56 -69.270089 3.966762 BFGS: 53 15:37:56 -69.660231 2.607742 BFGS: 54 15:37:56 -69.283692 4.139180 BFGS: 55 15:37:56 -69.680914 2.238728 BFGS: 56 15:37:56 -69.283044 3.895584 BFGS: 57 15:37:56 -69.663297 2.605388 BFGS: 58 15:37:57 -69.294513 4.105338 BFGS: 59 15:37:57 -69.682273 2.226694 BFGS: 60 15:37:57 -69.294831 3.831078 BFGS: 61 15:37:57 -69.666172 2.601812 BFGS: 62 15:37:57 -69.304374 4.074242 BFGS: 63 15:37:57 -69.683568 2.215093 BFGS: 64 15:37:57 -69.305497 3.773075 BFGS: 65 15:37:57 -69.668843 2.597074 BFGS: 66 15:37:57 -69.313417 4.045343 BFGS: 67 15:37:57 -69.684816 2.203802 BFGS: 68 15:37:58 -69.315165 3.720900 BFGS: 69 15:37:58 -69.671324 2.591344 BFGS: 70 15:37:58 -69.321736 4.018489 BFGS: 71 15:37:58 -69.686020 2.192773 BFGS: 72 15:37:58 -69.323955 3.673885 BFGS: 73 15:37:58 -69.673630 2.584788 BFGS: 74 15:37:58 -69.329408 3.993558 BFGS: 75 15:37:58 -69.687181 2.181981 BFGS: 76 15:37:58 -69.331970 3.631441 BFGS: 77 15:37:58 -69.675776 2.577558 BFGS: 78 15:37:58 -69.336500 3.970441 BFGS: 79 15:37:59 -69.688300 2.171408 BFGS: 80 15:37:59 -69.339299 3.593055 BFGS: 81 15:37:59 -69.677776 2.569784 BFGS: 82 15:37:59 -69.343068 3.949029 BFGS: 83 15:37:59 -69.689377 2.161045 BFGS: 84 15:37:59 -69.346017 3.558282 BFGS: 85 15:37:59 -69.679641 2.561580 BFGS: 86 15:37:59 -69.349161 3.929215 BFGS: 87 15:37:59 -69.690413 2.150887 BFGS: 88 15:37:59 -69.352191 3.526731 BFGS: 89 15:38:00 -69.681385 2.553046 BFGS: 90 15:38:00 -69.354824 3.910897 BFGS: 91 15:38:00 -69.691408 2.140932 BFGS: 92 15:38:00 -69.357877 3.498063 BFGS: 93 15:38:00 -69.683015 2.544264 BFGS: 94 15:38:00 -69.360094 3.893978 BFGS: 95 15:38:00 -69.692362 2.131178 BFGS: 96 15:38:00 -69.363125 3.471977 BFGS: 97 15:38:00 -69.684542 2.535310 BFGS: 98 15:38:00 -69.365006 3.878364 BFGS: 99 15:38:01 -69.693278 2.121626 BFGS: 100 15:38:01 -69.367978 3.448211 BFGS: 101 15:38:01 -69.685973 2.526245 BFGS: 102 15:38:01 -69.369588 3.863967 BFGS: 103 15:38:01 -69.694154 2.112277 BFGS: 104 15:38:01 -69.372475 3.426532 BFGS: 105 15:38:01 -69.687316 2.517123 BFGS: 106 15:38:01 -69.373869 3.850704 BFGS: 107 15:38:01 -69.694993 2.103133 BFGS: 108 15:38:01 -69.376648 3.406732 BFGS: 109 15:38:01 -69.688577 2.507991 BFGS: 110 15:38:02 -69.377873 3.838497 BFGS: 111 15:38:02 -69.695796 2.094195 BFGS: 112 15:38:02 -69.380526 3.388630 BFGS: 113 15:38:02 -69.689763 2.498887 BFGS: 114 15:38:02 -69.381620 3.827273 BFGS: 115 15:38:02 -69.696564 2.085464 BFGS: 116 15:38:02 -69.384137 3.372062 BFGS: 117 15:38:02 -69.690879 2.489845 BFGS: 118 15:38:02 -69.385132 3.816962 BFGS: 119 15:38:02 -69.697297 2.076941 BFGS: 120 15:38:03 -69.387503 3.356884 BFGS: 121 15:38:03 -69.691929 2.480893 BFGS: 122 15:38:03 -69.388426 3.807500 BFGS: 123 15:38:03 -69.697998 2.068626 BFGS: 124 15:38:03 -69.390646 3.342965 BFGS: 125 15:38:03 -69.692919 2.472054 BFGS: 126 15:38:03 -69.391518 3.798828 BFGS: 127 15:38:03 -69.698668 2.060519 BFGS: 128 15:38:03 -69.393582 3.330190 BFGS: 129 15:38:03 -69.693853 2.463349 BFGS: 130 15:38:04 -69.394422 3.790889 BFGS: 131 15:38:04 -69.699307 2.052619 BFGS: 132 15:38:04 -69.396331 3.318453 BFGS: 133 15:38:04 -69.694734 2.454793 BFGS: 134 15:38:04 -69.397154 3.783631 BFGS: 135 15:38:04 -69.699917 2.044926 BFGS: 136 15:38:04 -69.398905 3.307663 BFGS: 137 15:38:04 -69.695565 2.446400 BFGS: 138 15:38:04 -69.399724 3.777005 BFGS: 139 15:38:04 -69.700500 2.037437 BFGS: 140 15:38:05 -69.401319 3.297734 BFGS: 141 15:38:05 -69.696351 2.438180 BFGS: 142 15:38:05 -69.402144 3.770966 BFGS: 143 15:38:05 -69.701056 2.030151 BFGS: 144 15:38:05 -69.403586 3.288591 BFGS: 145 15:38:05 -69.697094 2.430141 BFGS: 146 15:38:05 -69.404424 3.765472 BFGS: 147 15:38:05 -69.701587 2.023065 BFGS: 148 15:38:05 -69.405716 3.280165 BFGS: 149 15:38:05 -69.697797 2.422290 BFGS: 150 15:38:06 -69.406575 3.760482 BFGS: 151 15:38:06 -69.702094 2.016177 BFGS: 152 15:38:06 -69.407719 3.272394 BFGS: 153 15:38:06 -69.698463 2.414631 BFGS: 154 15:38:06 -69.408604 3.755961 BFGS: 155 15:38:06 -69.702577 2.009484 BFGS: 156 15:38:06 -69.409604 3.265223 BFGS: 157 15:38:06 -69.699093 2.407167 BFGS: 158 15:38:06 -69.410520 3.751874 BFGS: 159 15:38:07 -69.703039 2.002982 BFGS: 160 15:38:07 -69.411381 3.258601 BFGS: 161 15:38:07 -69.699690 2.399900 BFGS: 162 15:38:07 -69.412330 3.748190 BFGS: 163 15:38:07 -69.703480 1.996667 BFGS: 164 15:38:07 -69.413056 3.252482 BFGS: 165 15:38:07 -69.700256 2.392830 BFGS: 166 15:38:07 -69.414041 3.744879 BFGS: 167 15:38:07 -69.703901 1.990537 BFGS: 168 15:38:08 -69.414636 3.246824 BFGS: 169 15:38:08 -69.700792 2.385958 BFGS: 170 15:38:08 -69.415660 3.741914 BFGS: 171 15:38:08 -69.704303 1.984586 BFGS: 172 15:38:08 -69.416129 3.241589 BFGS: 173 15:38:08 -69.701302 2.379282 BFGS: 174 15:38:08 -69.417193 3.739270 BFGS: 175 15:38:08 -69.704687 1.978812 BFGS: 176 15:38:08 -69.417539 3.236743 BFGS: 177 15:38:08 -69.701785 2.372800 BFGS: 178 15:38:09 -69.418644 3.736922 BFGS: 179 15:38:09 -69.705054 1.973208 BFGS: 180 15:38:09 -69.418873 3.232254 BFGS: 181 15:38:09 -69.702244 2.366511 BFGS: 182 15:38:09 -69.420019 3.734849 BFGS: 183 15:38:09 -69.705405 1.967773 BFGS: 184 15:38:09 -69.420135 3.228094 BFGS: 185 15:38:09 -69.702681 2.360410 BFGS: 186 15:38:09 -69.421322 3.733029 BFGS: 187 15:38:09 -69.705740 1.962500 BFGS: 188 15:38:09 -69.421331 3.224235 BFGS: 189 15:38:10 -69.703096 2.354495 BFGS: 190 15:38:10 -69.422559 3.731445 BFGS: 191 15:38:10 -69.706060 1.957386 BFGS: 192 15:38:10 -69.422463 3.220656 BFGS: 193 15:38:10 -69.703490 2.348763 BFGS: 194 15:38:10 -69.423733 3.730078 BFGS: 195 15:38:10 -69.706366 1.952427 BFGS: 196 15:38:10 -69.423537 3.217332 BFGS: 197 15:38:10 -69.703865 2.343209 BFGS: 198 15:38:10 -69.424847 3.728912 BFGS: 199 15:38:11 -69.706659 1.947618 BFGS: 200 15:38:11 -69.424556 3.214246 BFGS: 201 15:38:11 -69.704223 2.337829 BFGS: 202 15:38:11 -69.425906 3.727932 BFGS: 203 15:38:11 -69.706939 1.942954 BFGS: 204 15:38:11 -69.425523 3.211377 BFGS: 205 15:38:11 -69.704563 2.332619 BFGS: 206 15:38:11 -69.426913 3.727123 BFGS: 207 15:38:11 -69.707207 1.938431 BFGS: 208 15:38:11 -69.426442 3.208709 BFGS: 209 15:38:12 -69.704887 2.327576 BFGS: 210 15:38:12 -69.427870 3.726472 BFGS: 211 15:38:12 -69.707464 1.934046 BFGS: 212 15:38:12 -69.427315 3.206228 BFGS: 213 15:38:12 -69.705196 2.322693 BFGS: 214 15:38:12 -69.428781 3.725966 BFGS: 215 15:38:12 -69.707709 1.929793 BFGS: 216 15:38:12 -69.428145 3.203918 BFGS: 217 15:38:12 -69.705490 2.317968 BFGS: 218 15:38:12 -69.429649 3.725595 BFGS: 219 15:38:13 -69.707944 1.925669 BFGS: 220 15:38:13 -69.428935 3.201767 BFGS: 221 15:38:13 -69.705771 2.313395 BFGS: 222 15:38:13 -69.430475 3.725348 BFGS: 223 15:38:13 -69.708170 1.921670 BFGS: 224 15:38:13 -69.429687 3.199762 BFGS: 225 15:38:13 -69.706039 2.308970 BFGS: 226 15:38:13 -69.431262 3.725214 BFGS: 227 15:38:13 -69.708386 1.917792 BFGS: 228 15:38:13 -69.430403 3.197894 BFGS: 229 15:38:14 -69.706295 2.304688 BFGS: 230 15:38:14 -69.432012 3.725185 BFGS: 231 15:38:14 -69.708593 1.914031 BFGS: 232 15:38:14 -69.431086 3.196150 BFGS: 233 15:38:14 -69.706539 2.300545 BFGS: 234 15:38:14 -69.432728 3.725252 BFGS: 235 15:38:14 -69.708791 1.910382 BFGS: 236 15:38:14 -69.431736 3.194523 BFGS: 237 15:38:14 -69.706772 2.296537 BFGS: 238 15:38:14 -69.433411 3.725407 BFGS: 239 15:38:15 -69.708982 1.906843 BFGS: 240 15:38:15 -69.432357 3.193004 BFGS: 241 15:38:15 -69.706995 2.292660 BFGS: 242 15:38:15 -69.434064 3.725643 BFGS: 243 15:38:15 -69.709164 1.903409 BFGS: 244 15:38:15 -69.432949 3.191584 BFGS: 245 15:38:15 -69.707208 2.288908 BFGS: 246 15:38:15 -69.434687 3.725952 BFGS: 247 15:38:15 -69.709340 1.900078 BFGS: 248 15:38:15 -69.433515 3.190256 BFGS: 249 15:38:15 -69.707411 2.285279 BFGS: 250 15:38:16 -69.435282 3.726329 BFGS: 251 15:38:16 -69.709508 1.896846 BFGS: 252 15:38:16 -69.434055 3.189014 BFGS: 253 15:38:16 -69.707606 2.281767 BFGS: 254 15:38:16 -69.435852 3.726767 BFGS: 255 15:38:16 -69.709670 1.893709 BFGS: 256 15:38:16 -69.434572 3.187851 BFGS: 257 15:38:16 -69.707793 2.278369 BFGS: 258 15:38:16 -69.436396 3.727261 BFGS: 259 15:38:16 -69.709826 1.890664 BFGS: 260 15:38:17 -69.435065 3.186761 BFGS: 261 15:38:17 -69.707971 2.275081 BFGS: 262 15:38:17 -69.436917 3.727806 BFGS: 263 15:38:17 -69.709975 1.887708 BFGS: 264 15:38:17 -69.435538 3.185740 BFGS: 265 15:38:17 -69.708142 2.271900 BFGS: 266 15:38:17 -69.437416 3.728396 BFGS: 267 15:38:17 -69.710119 1.884839 BFGS: 268 15:38:17 -69.435990 3.184781 BFGS: 269 15:38:17 -69.708306 2.268821 BFGS: 270 15:38:18 -69.437895 3.729029 BFGS: 271 15:38:18 -69.710257 1.882053 BFGS: 272 15:38:18 -69.436423 3.183882 BFGS: 273 15:38:18 -69.708463 2.265841 BFGS: 274 15:38:18 -69.438353 3.729699 BFGS: 275 15:38:18 -69.710390 1.879347 BFGS: 276 15:38:18 -69.436838 3.183036 BFGS: 277 15:38:18 -69.708613 2.262956 BFGS: 278 15:38:18 -69.438792 3.730402 BFGS: 279 15:38:18 -69.710518 1.876718 BFGS: 280 15:38:19 -69.437236 3.182241 BFGS: 281 15:38:19 -69.708757 2.260164 BFGS: 282 15:38:19 -69.439213 3.731135 BFGS: 283 15:38:19 -69.710641 1.874165 BFGS: 284 15:38:19 -69.437617 3.181492 BFGS: 285 15:38:19 -69.708896 2.257461 BFGS: 286 15:38:19 -69.439618 3.731896 BFGS: 287 15:38:19 -69.710760 1.871684 BFGS: 288 15:38:19 -69.437983 3.180787 BFGS: 289 15:38:19 -69.709028 2.254843 BFGS: 290 15:38:19 -69.440006 3.732680 BFGS: 291 15:38:20 -69.710875 1.869273 BFGS: 292 15:38:20 -69.438334 3.180122 BFGS: 293 15:38:20 -69.709156 2.252309 BFGS: 294 15:38:20 -69.440379 3.733484 BFGS: 295 15:38:20 -69.710985 1.866929 BFGS: 296 15:38:20 -69.438672 3.179494 BFGS: 297 15:38:20 -69.709278 2.249854 BFGS: 298 15:38:20 -69.440738 3.734308 BFGS: 299 15:38:20 -69.711092 1.864651 BFGS: 300 15:38:20 -69.438996 3.178901 BFGS: 301 15:38:21 -69.709396 2.247476 BFGS: 302 15:38:21 -69.441083 3.735147 BFGS: 303 15:38:21 -69.711195 1.862435 BFGS: 304 15:38:21 -69.439307 3.178339 BFGS: 305 15:38:21 -69.709509 2.245172 BFGS: 306 15:38:21 -69.441414 3.735999 BFGS: 307 15:38:21 -69.711294 1.860281 BFGS: 308 15:38:21 -69.439607 3.177808 BFGS: 309 15:38:21 -69.709618 2.242939 BFGS: 310 15:38:21 -69.441734 3.736864 BFGS: 311 15:38:22 -69.711390 1.858185 BFGS: 312 15:38:22 -69.439895 3.177304 BFGS: 313 15:38:22 -69.709722 2.240776 BFGS: 314 15:38:22 -69.442041 3.737738 BFGS: 315 15:38:22 -69.711482 1.856146 BFGS: 316 15:38:22 -69.440172 3.176826 BFGS: 317 15:38:22 -69.709823 2.238679 BFGS: 318 15:38:22 -69.442337 3.738619 BFGS: 319 15:38:22 -69.711572 1.854162 BFGS: 320 15:38:22 -69.440439 3.176371 BFGS: 321 15:38:22 -69.709920 2.236646 BFGS: 322 15:38:23 -69.442622 3.739507 BFGS: 323 15:38:23 -69.711658 1.852231 BFGS: 324 15:38:23 -69.440697 3.175938 BFGS: 325 15:38:23 -69.710013 2.234675 BFGS: 326 15:38:23 -69.442897 3.740400 BFGS: 327 15:38:23 -69.711742 1.850351 BFGS: 328 15:38:23 -69.440945 3.175526 BFGS: 329 15:38:23 -69.710103 2.232763 BFGS: 330 15:38:23 -69.443163 3.741296 BFGS: 331 15:38:23 -69.711823 1.848521 BFGS: 332 15:38:24 -69.441184 3.175133 BFGS: 333 15:38:24 -69.710189 2.230909 BFGS: 334 15:38:24 -69.443419 3.742193 BFGS: 335 15:38:24 -69.711901 1.846738 BFGS: 336 15:38:24 -69.441415 3.174757 BFGS: 337 15:38:24 -69.710273 2.229111 BFGS: 338 15:38:24 -69.443666 3.743092 BFGS: 339 15:38:24 -69.711977 1.845002 BFGS: 340 15:38:24 -69.441638 3.174397 BFGS: 341 15:38:24 -69.710353 2.227365 BFGS: 342 15:38:25 -69.443905 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1.736824 BFGS: 6956 15:48:58 -69.461979 3.086899 BFGS: 6957 15:48:58 -69.716297 2.109825 BFGS: 6958 15:48:58 -69.453234 3.867431 BFGS: 6959 15:48:58 -69.716191 1.736822 BFGS: 6960 15:48:58 -69.461980 3.086895 BFGS: 6961 15:48:58 -69.716297 2.109823 BFGS: 6962 15:48:58 -69.453234 3.867434 BFGS: 6963 15:48:58 -69.716191 1.736820 BFGS: 6964 15:48:58 -69.461980 3.086891 BFGS: 6965 15:48:59 -69.716297 2.109820 BFGS: 6966 15:48:59 -69.453234 3.867438 BFGS: 6967 15:48:59 -69.716191 1.736819 BFGS: 6968 15:48:59 -69.461981 3.086888 BFGS: 6969 15:48:59 -69.716297 2.109818 BFGS: 6970 15:48:59 -69.453234 3.867441 BFGS: 6971 15:48:59 -69.716192 1.736817 BFGS: 6972 15:48:59 -69.461982 3.086884 BFGS: 6973 15:48:59 -69.716297 2.109816 BFGS: 6974 15:48:59 -69.453234 3.867445 BFGS: 6975 15:49:00 -69.716192 1.736815 BFGS: 6976 15:49:00 -69.461982 3.086880 BFGS: 6977 15:49:00 -69.716297 2.109814 BFGS: 6978 15:49:00 -69.453234 3.867448 BFGS: 6979 15:49:00 -69.716192 1.736814 BFGS: 6980 15:49:00 -69.461983 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2.109798 BFGS: 7006 15:49:02 -69.453234 3.867472 BFGS: 7007 15:49:03 -69.716192 1.736802 BFGS: 7008 15:49:03 -69.461987 3.086852 BFGS: 7009 15:49:03 -69.716299 2.109796 BFGS: 7010 15:49:03 -69.453234 3.867476 BFGS: 7011 15:49:03 -69.716192 1.736801 BFGS: 7012 15:49:03 -69.461987 3.086848 BFGS: 7013 15:49:03 -69.716299 2.109794 BFGS: 7014 15:49:03 -69.453234 3.867479 BFGS: 7015 15:49:03 -69.716192 1.736799 BFGS: 7016 15:49:03 -69.461988 3.086845 BFGS: 7017 15:49:04 -69.716299 2.109792 BFGS: 7018 15:49:04 -69.453234 3.867482 BFGS: 7019 15:49:04 -69.716192 1.736797 BFGS: 7020 15:49:04 -69.461988 3.086841 BFGS: 7021 15:49:04 -69.716299 2.109789 BFGS: 7022 15:49:04 -69.453234 3.867486 BFGS: 7023 15:49:04 -69.716192 1.736796 BFGS: 7024 15:49:04 -69.461989 3.086838 BFGS: 7025 15:49:04 -69.716299 2.109787 BFGS: 7026 15:49:04 -69.453234 3.867489 BFGS: 7027 15:49:05 -69.716192 1.736794 BFGS: 7028 15:49:05 -69.461989 3.086834 BFGS: 7029 15:49:05 -69.716299 2.109785 BFGS: 7030 15:49:05 -69.453234 3.867493 BFGS: 7031 15:49:05 -69.716192 1.736792 BFGS: 7032 15:49:05 -69.461990 3.086831 BFGS: 7033 15:49:05 -69.716299 2.109783 BFGS: 7034 15:49:05 -69.453234 3.867496 BFGS: 7035 15:49:05 -69.716192 1.736791 BFGS: 7036 15:49:05 -69.461991 3.086827 BFGS: 7037 15:49:05 -69.716300 2.109781 BFGS: 7038 15:49:06 -69.453234 3.867499 BFGS: 7039 15:49:06 -69.716193 1.736789 BFGS: 7040 15:49:06 -69.461991 3.086824 BFGS: 7041 15:49:06 -69.716300 2.109779 BFGS: 7042 15:49:06 -69.453234 3.867503 BFGS: 7043 15:49:06 -69.716193 1.736788 BFGS: 7044 15:49:06 -69.461992 3.086820 BFGS: 7045 15:49:06 -69.716300 2.109776 BFGS: 7046 15:49:06 -69.453234 3.867506 BFGS: 7047 15:49:06 -69.716193 1.736786 BFGS: 7048 15:49:07 -69.461992 3.086817 BFGS: 7049 15:49:07 -69.716300 2.109774 BFGS: 7050 15:49:07 -69.453234 3.867509 BFGS: 7051 15:49:07 -69.716193 1.736784 BFGS: 7052 15:49:07 -69.461993 3.086813 BFGS: 7053 15:49:07 -69.716300 2.109772 BFGS: 7054 15:49:07 -69.453234 3.867513 BFGS: 7055 15:49:07 -69.716193 1.736783 BFGS: 7056 15:49:07 -69.461993 3.086810 BFGS: 7057 15:49:07 -69.716300 2.109770 BFGS: 7058 15:49:07 -69.453234 3.867516 BFGS: 7059 15:49:08 -69.716193 1.736781 BFGS: 7060 15:49:08 -69.461994 3.086806 BFGS: 7061 15:49:08 -69.716300 2.109768 BFGS: 7062 15:49:08 -69.453234 3.867519 BFGS: 7063 15:49:08 -69.716193 1.736780 BFGS: 7064 15:49:08 -69.461994 3.086803 BFGS: 7065 15:49:08 -69.716300 2.109766 BFGS: 7066 15:49:08 -69.453234 3.867523 BFGS: 7067 15:49:08 -69.716193 1.736778 BFGS: 7068 15:49:08 -69.461995 3.086799 BFGS: 7069 15:49:09 -69.716301 2.109763 BFGS: 7070 15:49:09 -69.453234 3.867526 BFGS: 7071 15:49:09 -69.716193 1.736776 BFGS: 7072 15:49:09 -69.461995 3.086796 BFGS: 7073 15:49:09 -69.716301 2.109761 BFGS: 7074 15:49:09 -69.453234 3.867530 BFGS: 7075 15:49:09 -69.716193 1.736775 BFGS: 7076 15:49:09 -69.461996 3.086792 BFGS: 7077 15:49:09 -69.716301 2.109759 BFGS: 7078 15:49:09 -69.453234 3.867533 BFGS: 7079 15:49:09 -69.716193 1.736773 BFGS: 7080 15:49:10 -69.461997 3.086789 BFGS: 7081 15:49:10 -69.716301 2.109757 BFGS: 7082 15:49:10 -69.453234 3.867536 BFGS: 7083 15:49:10 -69.716193 1.736772 BFGS: 7084 15:49:10 -69.461997 3.086785 BFGS: 7085 15:49:10 -69.716301 2.109755 BFGS: 7086 15:49:10 -69.453234 3.867539 BFGS: 7087 15:49:10 -69.716193 1.736770 BFGS: 7088 15:49:10 -69.461998 3.086782 BFGS: 7089 15:49:10 -69.716301 2.109753 BFGS: 7090 15:49:11 -69.453234 3.867543 BFGS: 7091 15:49:11 -69.716193 1.736768 BFGS: 7092 15:49:11 -69.461998 3.086778 BFGS: 7093 15:49:11 -69.716301 2.109751 BFGS: 7094 15:49:11 -69.453234 3.867546 BFGS: 7095 15:49:11 -69.716193 1.736767 BFGS: 7096 15:49:11 -69.461999 3.086775 BFGS: 7097 15:49:11 -69.716302 2.109748 BFGS: 7098 15:49:11 -69.453234 3.867549 BFGS: 7099 15:49:11 -69.716193 1.736765 BFGS: 7100 15:49:11 -69.461999 3.086771 BFGS: 7101 15:49:12 -69.716302 2.109746 BFGS: 7102 15:49:12 -69.453234 3.867553 BFGS: 7103 15:49:12 -69.716193 1.736764 BFGS: 7104 15:49:12 -69.462000 3.086768 BFGS: 7105 15:49:12 -69.716302 2.109744 BFGS: 7106 15:49:12 -69.453234 3.867556 BFGS: 7107 15:49:12 -69.716194 1.736762 BFGS: 7108 15:49:12 -69.462000 3.086764 BFGS: 7109 15:49:12 -69.716302 2.109742 BFGS: 7110 15:49:12 -69.453234 3.867559 BFGS: 7111 15:49:13 -69.716194 1.736761 BFGS: 7112 15:49:13 -69.462001 3.086761 BFGS: 7113 15:49:13 -69.716302 2.109740 BFGS: 7114 15:49:13 -69.453234 3.867563 BFGS: 7115 15:49:13 -69.716194 1.736759 BFGS: 7116 15:49:13 -69.462001 3.086757 BFGS: 7117 15:49:13 -69.716302 2.109738 BFGS: 7118 15:49:13 -69.453234 3.867566 BFGS: 7119 15:49:13 -69.716194 1.736757 BFGS: 7120 15:49:13 -69.462002 3.086754 BFGS: 7121 15:49:14 -69.716302 2.109736 BFGS: 7122 15:49:14 -69.453234 3.867569 BFGS: 7123 15:49:14 -69.716194 1.736756 BFGS: 7124 15:49:14 -69.462003 3.086751 BFGS: 7125 15:49:14 -69.716302 2.109734 BFGS: 7126 15:49:14 -69.453234 3.867573 BFGS: 7127 15:49:14 -69.716194 1.736754 BFGS: 7128 15:49:14 -69.462003 3.086747 BFGS: 7129 15:49:14 -69.716303 2.109732 BFGS: 7130 15:49:14 -69.453234 3.867576 BFGS: 7131 15:49:14 -69.716194 1.736753 BFGS: 7132 15:49:15 -69.462004 3.086744 BFGS: 7133 15:49:15 -69.716303 2.109729 BFGS: 7134 15:49:15 -69.453234 3.867579 BFGS: 7135 15:49:15 -69.716194 1.736751 BFGS: 7136 15:49:15 -69.462004 3.086740 BFGS: 7137 15:49:15 -69.716303 2.109727 BFGS: 7138 15:49:15 -69.453234 3.867582 BFGS: 7139 15:49:15 -69.716194 1.736750 BFGS: 7140 15:49:15 -69.462005 3.086737 BFGS: 7141 15:49:15 -69.716303 2.109725 BFGS: 7142 15:49:16 -69.453234 3.867586 BFGS: 7143 15:49:16 -69.716194 1.736748 BFGS: 7144 15:49:16 -69.462005 3.086734 BFGS: 7145 15:49:16 -69.716303 2.109723 BFGS: 7146 15:49:16 -69.453234 3.867589 BFGS: 7147 15:49:16 -69.716194 1.736747 BFGS: 7148 15:49:16 -69.462006 3.086730 BFGS: 7149 15:49:16 -69.716303 2.109721 BFGS: 7150 15:49:16 -69.453234 3.867592 BFGS: 7151 15:49:16 -69.716194 1.736745 BFGS: 7152 15:49:16 -69.462006 3.086727 BFGS: 7153 15:49:17 -69.716303 2.109719 BFGS: 7154 15:49:17 -69.453234 3.867595 BFGS: 7155 15:49:17 -69.716194 1.736743 BFGS: 7156 15:49:17 -69.462007 3.086723 BFGS: 7157 15:49:17 -69.716304 2.109717 BFGS: 7158 15:49:17 -69.453234 3.867599 BFGS: 7159 15:49:17 -69.716194 1.736742 BFGS: 7160 15:49:17 -69.462007 3.086720 BFGS: 7161 15:49:17 -69.716304 2.109715 BFGS: 7162 15:49:17 -69.453234 3.867602 BFGS: 7163 15:49:18 -69.716194 1.736740 BFGS: 7164 15:49:18 -69.462008 3.086717 BFGS: 7165 15:49:18 -69.716304 2.109713 BFGS: 7166 15:49:18 -69.453234 3.867605 BFGS: 7167 15:49:18 -69.716194 1.736739 BFGS: 7168 15:49:18 -69.462008 3.086713 BFGS: 7169 15:49:18 -69.716304 2.109711 BFGS: 7170 15:49:18 -69.453234 3.867608 BFGS: 7171 15:49:18 -69.716194 1.736737 BFGS: 7172 15:49:18 -69.462009 3.086710 BFGS: 7173 15:49:18 -69.716304 2.109709 BFGS: 7174 15:49:19 -69.453234 3.867612 BFGS: 7175 15:49:19 -69.716194 1.736736 BFGS: 7176 15:49:19 -69.462009 3.086706 BFGS: 7177 15:49:19 -69.716304 2.109706 BFGS: 7178 15:49:19 -69.453234 3.867615 BFGS: 7179 15:49:19 -69.716195 1.736734 BFGS: 7180 15:49:19 -69.462010 3.086703 BFGS: 7181 15:49:19 -69.716304 2.109704 BFGS: 7182 15:49:19 -69.453234 3.867618 BFGS: 7183 15:49:19 -69.716195 1.736733 BFGS: 7184 15:49:20 -69.462010 3.086700 BFGS: 7185 15:49:20 -69.716304 2.109702 BFGS: 7186 15:49:20 -69.453234 3.867621 BFGS: 7187 15:49:20 -69.716195 1.736731 BFGS: 7188 15:49:20 -69.462011 3.086696 BFGS: 7189 15:49:20 -69.716305 2.109700 BFGS: 7190 15:49:20 -69.453234 3.867624 BFGS: 7191 15:49:20 -69.716195 1.736730 BFGS: 7192 15:49:20 -69.462012 3.086693 BFGS: 7193 15:49:20 -69.716305 2.109698 BFGS: 7194 15:49:21 -69.453234 3.867628 BFGS: 7195 15:49:21 -69.716195 1.736728 BFGS: 7196 15:49:21 -69.462012 3.086690 BFGS: 7197 15:49:21 -69.716305 2.109696 BFGS: 7198 15:49:21 -69.453234 3.867631 BFGS: 7199 15:49:21 -69.716195 1.736726 BFGS: 7200 15:49:21 -69.462013 3.086686 BFGS: 7201 15:49:21 -69.716305 2.109694 BFGS: 7202 15:49:21 -69.453234 3.867634 BFGS: 7203 15:49:21 -69.716195 1.736725 BFGS: 7204 15:49:21 -69.462013 3.086683 BFGS: 7205 15:49:22 -69.716305 2.109692 BFGS: 7206 15:49:22 -69.453234 3.867637 BFGS: 7207 15:49:22 -69.716195 1.736723 BFGS: 7208 15:49:22 -69.462014 3.086680 BFGS: 7209 15:49:22 -69.716305 2.109690 BFGS: 7210 15:49:22 -69.453234 3.867640 BFGS: 7211 15:49:22 -69.716195 1.736722 BFGS: 7212 15:49:22 -69.462014 3.086676 BFGS: 7213 15:49:22 -69.716305 2.109688 BFGS: 7214 15:49:22 -69.453234 3.867644 BFGS: 7215 15:49:23 -69.716195 1.736720 BFGS: 7216 15:49:23 -69.462015 3.086673 BFGS: 7217 15:49:23 -69.716305 2.109686 BFGS: 7218 15:49:23 -69.453234 3.867647 BFGS: 7219 15:49:23 -69.716195 1.736719 BFGS: 7220 15:49:23 -69.462015 3.086670 BFGS: 7221 15:49:23 -69.716306 2.109684 BFGS: 7222 15:49:23 -69.453234 3.867650 BFGS: 7223 15:49:23 -69.716195 1.736717 BFGS: 7224 15:49:23 -69.462016 3.086666 BFGS: 7225 15:49:23 -69.716306 2.109682 BFGS: 7226 15:49:24 -69.453234 3.867653 BFGS: 7227 15:49:24 -69.716195 1.736716 BFGS: 7228 15:49:24 -69.462016 3.086663 BFGS: 7229 15:49:24 -69.716306 2.109680 BFGS: 7230 15:49:24 -69.453234 3.867656 BFGS: 7231 15:49:24 -69.716195 1.736714 BFGS: 7232 15:49:24 -69.462017 3.086660 BFGS: 7233 15:49:24 -69.716306 2.109678 BFGS: 7234 15:49:24 -69.453234 3.867660 BFGS: 7235 15:49:24 -69.716195 1.736713 BFGS: 7236 15:49:25 -69.462017 3.086656 BFGS: 7237 15:49:25 -69.716306 2.109676 BFGS: 7238 15:49:25 -69.453234 3.867663 BFGS: 7239 15:49:25 -69.716195 1.736711 BFGS: 7240 15:49:25 -69.462018 3.086653 BFGS: 7241 15:49:25 -69.716306 2.109674 BFGS: 7242 15:49:25 -69.453234 3.867666 BFGS: 7243 15:49:25 -69.716195 1.736710 BFGS: 7244 15:49:25 -69.462018 3.086650 BFGS: 7245 15:49:25 -69.716306 2.109672 BFGS: 7246 15:49:26 -69.453234 3.867669 BFGS: 7247 15:49:26 -69.716195 1.736708 BFGS: 7248 15:49:26 -69.462019 3.086646 BFGS: 7249 15:49:26 -69.716307 2.109670 BFGS: 7250 15:49:26 -69.453234 3.867672 BFGS: 7251 15:49:26 -69.716196 1.736707 BFGS: 7252 15:49:26 -69.462019 3.086643 BFGS: 7253 15:49:26 -69.716307 2.109668 BFGS: 7254 15:49:26 -69.453234 3.867675 BFGS: 7255 15:49:26 -69.716196 1.736705 BFGS: 7256 15:49:26 -69.462020 3.086640 BFGS: 7257 15:49:27 -69.716307 2.109666 BFGS: 7258 15:49:27 -69.453234 3.867678 BFGS: 7259 15:49:27 -69.716196 1.736704 BFGS: 7260 15:49:27 -69.462020 3.086637 BFGS: 7261 15:49:27 -69.716307 2.109664 BFGS: 7262 15:49:27 -69.453234 3.867682 BFGS: 7263 15:49:27 -69.716196 1.736702 BFGS: 7264 15:49:27 -69.462021 3.086633 BFGS: 7265 15:49:27 -69.716307 2.109662 BFGS: 7266 15:49:27 -69.453234 3.867685 BFGS: 7267 15:49:28 -69.716196 1.736701 BFGS: 7268 15:49:28 -69.462021 3.086630 BFGS: 7269 15:49:28 -69.716307 2.109659 BFGS: 7270 15:49:28 -69.453234 3.867688 BFGS: 7271 15:49:28 -69.716196 1.736699 BFGS: 7272 15:49:28 -69.462022 3.086627 BFGS: 7273 15:49:28 -69.716307 2.109657 BFGS: 7274 15:49:28 -69.453234 3.867691 BFGS: 7275 15:49:28 -69.716196 1.736698 BFGS: 7276 15:49:28 -69.462022 3.086623 BFGS: 7277 15:49:28 -69.716307 2.109655 BFGS: 7278 15:49:29 -69.453234 3.867694 BFGS: 7279 15:49:29 -69.716196 1.736696 BFGS: 7280 15:49:29 -69.462023 3.086620 BFGS: 7281 15:49:29 -69.716308 2.109653 BFGS: 7282 15:49:29 -69.453234 3.867697 BFGS: 7283 15:49:29 -69.716196 1.736695 BFGS: 7284 15:49:29 -69.462023 3.086617 BFGS: 7285 15:49:29 -69.716308 2.109651 BFGS: 7286 15:49:29 -69.453234 3.867700 BFGS: 7287 15:49:29 -69.716196 1.736693 BFGS: 7288 15:49:30 -69.462024 3.086614 BFGS: 7289 15:49:30 -69.716308 2.109649 BFGS: 7290 15:49:30 -69.453234 3.867704 BFGS: 7291 15:49:30 -69.716196 1.736692 BFGS: 7292 15:49:30 -69.462024 3.086610 BFGS: 7293 15:49:30 -69.716308 2.109647 BFGS: 7294 15:49:30 -69.453234 3.867707 BFGS: 7295 15:49:30 -69.716196 1.736690 BFGS: 7296 15:49:30 -69.462025 3.086607 BFGS: 7297 15:49:30 -69.716308 2.109645 BFGS: 7298 15:49:30 -69.453234 3.867710 BFGS: 7299 15:49:31 -69.716196 1.736689 BFGS: 7300 15:49:31 -69.462025 3.086604 BFGS: 7301 15:49:31 -69.716308 2.109644 BFGS: 7302 15:49:31 -69.453234 3.867713 BFGS: 7303 15:49:31 -69.716196 1.736687 BFGS: 7304 15:49:31 -69.462026 3.086601 BFGS: 7305 15:49:31 -69.716308 2.109642 BFGS: 7306 15:49:31 -69.453234 3.867716 BFGS: 7307 15:49:31 -69.716196 1.736686 BFGS: 7308 15:49:31 -69.462026 3.086597 BFGS: 7309 15:49:32 -69.716308 2.109640 BFGS: 7310 15:49:32 -69.453234 3.867719 BFGS: 7311 15:49:32 -69.716196 1.736684 BFGS: 7312 15:49:32 -69.462027 3.086594 BFGS: 7313 15:49:32 -69.716309 2.109638 BFGS: 7314 15:49:32 -69.453234 3.867722 BFGS: 7315 15:49:32 -69.716196 1.736683 BFGS: 7316 15:49:32 -69.462028 3.086591 BFGS: 7317 15:49:32 -69.716309 2.109636 BFGS: 7318 15:49:32 -69.453234 3.867725 BFGS: 7319 15:49:32 -69.716196 1.736681 BFGS: 7320 15:49:33 -69.462028 3.086588 BFGS: 7321 15:49:33 -69.716309 2.109634 BFGS: 7322 15:49:33 -69.453234 3.867728 BFGS: 7323 15:49:33 -69.716196 1.736680 BFGS: 7324 15:49:33 -69.462029 3.086585 BFGS: 7325 15:49:33 -69.716309 2.109632 BFGS: 7326 15:49:33 -69.453234 3.867731 BFGS: 7327 15:49:33 -69.716197 1.736679 BFGS: 7328 15:49:33 -69.462029 3.086581 BFGS: 7329 15:49:33 -69.716309 2.109630 BFGS: 7330 15:49:34 -69.453234 3.867734 BFGS: 7331 15:49:34 -69.716197 1.736677 BFGS: 7332 15:49:34 -69.462030 3.086578 BFGS: 7333 15:49:34 -69.716309 2.109628 BFGS: 7334 15:49:34 -69.453234 3.867738 BFGS: 7335 15:49:34 -69.716197 1.736676 BFGS: 7336 15:49:34 -69.462030 3.086575 BFGS: 7337 15:49:34 -69.716309 2.109626 BFGS: 7338 15:49:34 -69.453234 3.867741 BFGS: 7339 15:49:34 -69.716197 1.736674 BFGS: 7340 15:49:35 -69.462031 3.086572 BFGS: 7341 15:49:35 -69.716309 2.109624 BFGS: 7342 15:49:35 -69.453234 3.867744 BFGS: 7343 15:49:35 -69.716197 1.736673 BFGS: 7344 15:49:35 -69.462031 3.086568 BFGS: 7345 15:49:35 -69.716310 2.109622 BFGS: 7346 15:49:35 -69.453234 3.867747 BFGS: 7347 15:49:35 -69.716197 1.736671 BFGS: 7348 15:49:35 -69.462032 3.086565 BFGS: 7349 15:49:35 -69.716310 2.109620 BFGS: 7350 15:49:35 -69.453234 3.867750 BFGS: 7351 15:49:36 -69.716197 1.736670 BFGS: 7352 15:49:36 -69.462032 3.086562 BFGS: 7353 15:49:36 -69.716310 2.109618 BFGS: 7354 15:49:36 -69.453234 3.867753 BFGS: 7355 15:49:36 -69.716197 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3.869071 BFGS: 9731 15:53:23 -69.716219 1.736044 BFGS: 9732 15:53:23 -69.462247 3.085174 BFGS: 9733 15:53:23 -69.716362 2.108787 BFGS: 9734 15:53:23 -69.453234 3.869073 BFGS: 9735 15:53:23 -69.716220 1.736044 BFGS: 9736 15:53:23 -69.462247 3.085173 BFGS: 9737 15:53:23 -69.716362 2.108786 BFGS: 9738 15:53:23 -69.453234 3.869074 BFGS: 9739 15:53:23 -69.716220 1.736043 BFGS: 9740 15:53:24 -69.462247 3.085171 BFGS: 9741 15:53:24 -69.716363 2.108785 BFGS: 9742 15:53:24 -69.453234 3.869076 BFGS: 9743 15:53:24 -69.716220 1.736042 BFGS: 9744 15:53:24 -69.462248 3.085169 BFGS: 9745 15:53:24 -69.716363 2.108784 BFGS: 9746 15:53:24 -69.453234 3.869077 BFGS: 9747 15:53:24 -69.716220 1.736041 BFGS: 9748 15:53:24 -69.462248 3.085167 BFGS: 9749 15:53:24 -69.716363 2.108783 BFGS: 9750 15:53:24 -69.453234 3.869079 BFGS: 9751 15:53:25 -69.716220 1.736041 BFGS: 9752 15:53:25 -69.462248 3.085166 BFGS: 9753 15:53:25 -69.716363 2.108782 BFGS: 9754 15:53:25 -69.453234 3.869081 BFGS: 9755 15:53:25 -69.716220 1.736040 BFGS: 9756 15:53:25 -69.462248 3.085164 BFGS: 9757 15:53:25 -69.716363 2.108781 BFGS: 9758 15:53:25 -69.453234 3.869082 BFGS: 9759 15:53:25 -69.716220 1.736039 BFGS: 9760 15:53:25 -69.462249 3.085162 BFGS: 9761 15:53:26 -69.716363 2.108780 BFGS: 9762 15:53:26 -69.453234 3.869084 BFGS: 9763 15:53:26 -69.716220 1.736038 BFGS: 9764 15:53:26 -69.462249 3.085161 BFGS: 9765 15:53:26 -69.716363 2.108779 BFGS: 9766 15:53:26 -69.453234 3.869085 BFGS: 9767 15:53:26 -69.716220 1.736038 BFGS: 9768 15:53:26 -69.462249 3.085159 BFGS: 9769 15:53:26 -69.716363 2.108778 BFGS: 9770 15:53:26 -69.453234 3.869087 BFGS: 9771 15:53:26 -69.716220 1.736037 BFGS: 9772 15:53:27 -69.462249 3.085157 BFGS: 9773 15:53:27 -69.716363 2.108777 BFGS: 9774 15:53:27 -69.453234 3.869089 BFGS: 9775 15:53:27 -69.716220 1.736036 BFGS: 9776 15:53:27 -69.462250 3.085156 BFGS: 9777 15:53:27 -69.716363 2.108776 BFGS: 9778 15:53:27 -69.453234 3.869090 BFGS: 9779 15:53:27 -69.716220 1.736035 BFGS: 9780 15:53:27 -69.462250 3.085154 BFGS: 9781 15:53:27 -69.716363 2.108775 BFGS: 9782 15:53:28 -69.453234 3.869092 BFGS: 9783 15:53:28 -69.716220 1.736035 BFGS: 9784 15:53:28 -69.462250 3.085152 BFGS: 9785 15:53:28 -69.716363 2.108774 BFGS: 9786 15:53:28 -69.453234 3.869093 BFGS: 9787 15:53:28 -69.716220 1.736034 BFGS: 9788 15:53:28 -69.462250 3.085151 BFGS: 9789 15:53:28 -69.716363 2.108773 BFGS: 9790 15:53:28 -69.453234 3.869095 BFGS: 9791 15:53:28 -69.716220 1.736033 BFGS: 9792 15:53:29 -69.462251 3.085149 BFGS: 9793 15:53:29 -69.716363 2.108772 BFGS: 9794 15:53:29 -69.453234 3.869097 BFGS: 9795 15:53:29 -69.716220 1.736032 BFGS: 9796 15:53:29 -69.462251 3.085147 BFGS: 9797 15:53:29 -69.716363 2.108771 BFGS: 9798 15:53:29 -69.453234 3.869098 BFGS: 9799 15:53:29 -69.716220 1.736032 BFGS: 9800 15:53:29 -69.462251 3.085146 BFGS: 9801 15:53:29 -69.716363 2.108770 BFGS: 9802 15:53:29 -69.453234 3.869100 BFGS: 9803 15:53:30 -69.716220 1.736031 BFGS: 9804 15:53:30 -69.462252 3.085144 BFGS: 9805 15:53:30 -69.716364 2.108769 BFGS: 9806 15:53:30 -69.453234 3.869101 BFGS: 9807 15:53:30 -69.716220 1.736030 BFGS: 9808 15:53:30 -69.462252 3.085142 BFGS: 9809 15:53:30 -69.716364 2.108768 BFGS: 9810 15:53:30 -69.453234 3.869103 BFGS: 9811 15:53:30 -69.716220 1.736029 BFGS: 9812 15:53:30 -69.462252 3.085141 BFGS: 9813 15:53:31 -69.716364 2.108767 BFGS: 9814 15:53:31 -69.453234 3.869104 BFGS: 9815 15:53:31 -69.716220 1.736029 BFGS: 9816 15:53:31 -69.462252 3.085139 BFGS: 9817 15:53:31 -69.716364 2.108766 BFGS: 9818 15:53:31 -69.453234 3.869106 BFGS: 9819 15:53:31 -69.716220 1.736028 BFGS: 9820 15:53:31 -69.462253 3.085137 BFGS: 9821 15:53:31 -69.716364 2.108765 BFGS: 9822 15:53:31 -69.453234 3.869108 BFGS: 9823 15:53:31 -69.716220 1.736027 BFGS: 9824 15:53:32 -69.462253 3.085136 BFGS: 9825 15:53:32 -69.716364 2.108764 BFGS: 9826 15:53:32 -69.453234 3.869109 BFGS: 9827 15:53:32 -69.716220 1.736026 BFGS: 9828 15:53:32 -69.462253 3.085134 BFGS: 9829 15:53:32 -69.716364 2.108763 BFGS: 9830 15:53:32 -69.453234 3.869111 BFGS: 9831 15:53:32 -69.716220 1.736026 BFGS: 9832 15:53:32 -69.462253 3.085132 BFGS: 9833 15:53:32 -69.716364 2.108762 BFGS: 9834 15:53:33 -69.453234 3.869112 BFGS: 9835 15:53:33 -69.716220 1.736025 BFGS: 9836 15:53:33 -69.462254 3.085131 BFGS: 9837 15:53:33 -69.716364 2.108761 BFGS: 9838 15:53:33 -69.453234 3.869114 BFGS: 9839 15:53:33 -69.716220 1.736024 BFGS: 9840 15:53:33 -69.462254 3.085129 BFGS: 9841 15:53:33 -69.716364 2.108760 BFGS: 9842 15:53:33 -69.453234 3.869115 BFGS: 9843 15:53:33 -69.716220 1.736023 BFGS: 9844 15:53:33 -69.462254 3.085127 BFGS: 9845 15:53:34 -69.716364 2.108759 BFGS: 9846 15:53:34 -69.453234 3.869117 BFGS: 9847 15:53:34 -69.716220 1.736023 BFGS: 9848 15:53:34 -69.462254 3.085126 BFGS: 9849 15:53:34 -69.716364 2.108758 BFGS: 9850 15:53:34 -69.453234 3.869119 BFGS: 9851 15:53:34 -69.716220 1.736022 BFGS: 9852 15:53:34 -69.462255 3.085124 BFGS: 9853 15:53:34 -69.716364 2.108757 BFGS: 9854 15:53:34 -69.453234 3.869120 BFGS: 9855 15:53:35 -69.716220 1.736021 BFGS: 9856 15:53:35 -69.462255 3.085122 BFGS: 9857 15:53:35 -69.716364 2.108756 BFGS: 9858 15:53:35 -69.453234 3.869122 BFGS: 9859 15:53:35 -69.716220 1.736021 BFGS: 9860 15:53:35 -69.462255 3.085121 BFGS: 9861 15:53:35 -69.716364 2.108755 BFGS: 9862 15:53:35 -69.453234 3.869123 BFGS: 9863 15:53:35 -69.716220 1.736020 BFGS: 9864 15:53:35 -69.462255 3.085119 BFGS: 9865 15:53:35 -69.716364 2.108754 BFGS: 9866 15:53:36 -69.453234 3.869125 BFGS: 9867 15:53:36 -69.716220 1.736019 BFGS: 9868 15:53:36 -69.462256 3.085117 BFGS: 9869 15:53:36 -69.716364 2.108753 BFGS: 9870 15:53:36 -69.453234 3.869126 BFGS: 9871 15:53:36 -69.716220 1.736018 BFGS: 9872 15:53:36 -69.462256 3.085116 BFGS: 9873 15:53:36 -69.716365 2.108752 BFGS: 9874 15:53:36 -69.453234 3.869128 BFGS: 9875 15:53:36 -69.716220 1.736018 BFGS: 9876 15:53:37 -69.462256 3.085114 BFGS: 9877 15:53:37 -69.716365 2.108751 BFGS: 9878 15:53:37 -69.453234 3.869130 BFGS: 9879 15:53:37 -69.716220 1.736017 BFGS: 9880 15:53:37 -69.462256 3.085112 BFGS: 9881 15:53:37 -69.716365 2.108751 BFGS: 9882 15:53:37 -69.453234 3.869131 BFGS: 9883 15:53:37 -69.716220 1.736016 BFGS: 9884 15:53:37 -69.462257 3.085111 BFGS: 9885 15:53:37 -69.716365 2.108750 BFGS: 9886 15:53:37 -69.453234 3.869133 BFGS: 9887 15:53:38 -69.716221 1.736015 BFGS: 9888 15:53:38 -69.462257 3.085109 BFGS: 9889 15:53:38 -69.716365 2.108749 BFGS: 9890 15:53:38 -69.453234 3.869134 BFGS: 9891 15:53:38 -69.716221 1.736015 BFGS: 9892 15:53:38 -69.462257 3.085108 BFGS: 9893 15:53:38 -69.716365 2.108748 BFGS: 9894 15:53:38 -69.453234 3.869136 BFGS: 9895 15:53:38 -69.716221 1.736014 BFGS: 9896 15:53:38 -69.462257 3.085106 BFGS: 9897 15:53:39 -69.716365 2.108747 BFGS: 9898 15:53:39 -69.453234 3.869137 BFGS: 9899 15:53:39 -69.716221 1.736013 BFGS: 9900 15:53:39 -69.462258 3.085104 BFGS: 9901 15:53:39 -69.716365 2.108746 BFGS: 9902 15:53:39 -69.453234 3.869139 BFGS: 9903 15:53:39 -69.716221 1.736013 BFGS: 9904 15:53:39 -69.462258 3.085103 BFGS: 9905 15:53:39 -69.716365 2.108745 BFGS: 9906 15:53:39 -69.453234 3.869140 BFGS: 9907 15:53:39 -69.716221 1.736012 BFGS: 9908 15:53:40 -69.462258 3.085101 BFGS: 9909 15:53:40 -69.716365 2.108744 BFGS: 9910 15:53:40 -69.453234 3.869142 BFGS: 9911 15:53:40 -69.716221 1.736011 BFGS: 9912 15:53:40 -69.462258 3.085099 BFGS: 9913 15:53:40 -69.716365 2.108743 BFGS: 9914 15:53:40 -69.453234 3.869143 BFGS: 9915 15:53:40 -69.716221 1.736010 BFGS: 9916 15:53:40 -69.462259 3.085098 BFGS: 9917 15:53:40 -69.716365 2.108742 BFGS: 9918 15:53:41 -69.453234 3.869145 BFGS: 9919 15:53:41 -69.716221 1.736010 BFGS: 9920 15:53:41 -69.462259 3.085096 BFGS: 9921 15:53:41 -69.716365 2.108741 BFGS: 9922 15:53:41 -69.453234 3.869146 BFGS: 9923 15:53:41 -69.716221 1.736009 BFGS: 9924 15:53:41 -69.462259 3.085095 BFGS: 9925 15:53:41 -69.716365 2.108740 BFGS: 9926 15:53:41 -69.453234 3.869148 BFGS: 9927 15:53:41 -69.716221 1.736008 BFGS: 9928 15:53:41 -69.462259 3.085093 BFGS: 9929 15:53:42 -69.716365 2.108739 BFGS: 9930 15:53:42 -69.453234 3.869150 BFGS: 9931 15:53:42 -69.716221 1.736007 BFGS: 9932 15:53:42 -69.462260 3.085091 BFGS: 9933 15:53:42 -69.716365 2.108738 BFGS: 9934 15:53:42 -69.453234 3.869151 BFGS: 9935 15:53:42 -69.716221 1.736007 BFGS: 9936 15:53:42 -69.462260 3.085090 BFGS: 9937 15:53:42 -69.716366 2.108737 BFGS: 9938 15:53:42 -69.453234 3.869153 BFGS: 9939 15:53:43 -69.716221 1.736006 BFGS: 9940 15:53:43 -69.462260 3.085088 BFGS: 9941 15:53:43 -69.716366 2.108736 BFGS: 9942 15:53:43 -69.453234 3.869154 BFGS: 9943 15:53:43 -69.716221 1.736005 BFGS: 9944 15:53:43 -69.462260 3.085086 BFGS: 9945 15:53:43 -69.716366 2.108735 BFGS: 9946 15:53:43 -69.453234 3.869156 BFGS: 9947 15:53:43 -69.716221 1.736005 BFGS: 9948 15:53:43 -69.462261 3.085085 BFGS: 9949 15:53:43 -69.716366 2.108734 BFGS: 9950 15:53:44 -69.453234 3.869157 BFGS: 9951 15:53:44 -69.716221 1.736004 BFGS: 9952 15:53:44 -69.462261 3.085083 BFGS: 9953 15:53:44 -69.716366 2.108733 BFGS: 9954 15:53:44 -69.453234 3.869159 BFGS: 9955 15:53:44 -69.716221 1.736003 BFGS: 9956 15:53:44 -69.462261 3.085082 BFGS: 9957 15:53:44 -69.716366 2.108733 BFGS: 9958 15:53:44 -69.453234 3.869160 BFGS: 9959 15:53:44 -69.716221 1.736002 BFGS: 9960 15:53:45 -69.462261 3.085080 BFGS: 9961 15:53:45 -69.716366 2.108732 BFGS: 9962 15:53:45 -69.453234 3.869162 BFGS: 9963 15:53:45 -69.716221 1.736002 BFGS: 9964 15:53:45 -69.462262 3.085078 BFGS: 9965 15:53:45 -69.716366 2.108731 BFGS: 9966 15:53:45 -69.453234 3.869163 BFGS: 9967 15:53:45 -69.716221 1.736001 BFGS: 9968 15:53:45 -69.462262 3.085077 BFGS: 9969 15:53:45 -69.716366 2.108730 BFGS: 9970 15:53:45 -69.453234 3.869165 BFGS: 9971 15:53:46 -69.716221 1.736000 BFGS: 9972 15:53:46 -69.462262 3.085075 BFGS: 9973 15:53:46 -69.716366 2.108729 BFGS: 9974 15:53:46 -69.453234 3.869166 BFGS: 9975 15:53:46 -69.716221 1.736000 BFGS: 9976 15:53:46 -69.462262 3.085074 BFGS: 9977 15:53:46 -69.716366 2.108728 BFGS: 9978 15:53:46 -69.453234 3.869168 BFGS: 9979 15:53:46 -69.716221 1.735999 BFGS: 9980 15:53:46 -69.462263 3.085072 BFGS: 9981 15:53:47 -69.716366 2.108727 BFGS: 9982 15:53:47 -69.453234 3.869169 BFGS: 9983 15:53:47 -69.716221 1.735998 BFGS: 9984 15:53:47 -69.462263 3.085070 BFGS: 9985 15:53:47 -69.716366 2.108726 BFGS: 9986 15:53:47 -69.453234 3.869171 BFGS: 9987 15:53:47 -69.716221 1.735997 BFGS: 9988 15:53:47 -69.462263 3.085069 BFGS: 9989 15:53:47 -69.716366 2.108725 BFGS: 9990 15:53:47 -69.453234 3.869172 BFGS: 9991 15:53:47 -69.716221 1.735997 BFGS: 9992 15:53:48 -69.462263 3.085067 BFGS: 9993 15:53:48 -69.716366 2.108724 BFGS: 9994 15:53:48 -69.453234 3.869174 BFGS: 9995 15:53:48 -69.716221 1.735996 BFGS: 9996 15:53:48 -69.462264 3.085066 BFGS: 9997 15:53:48 -69.716366 2.108723 BFGS: 9998 15:53:48 -69.453234 3.869175 BFGS: 9999 15:53:48 -69.716221 1.735995 BFGS: 10000 15:53:48 -69.462264 3.085064 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 3.0282177473787613 eV/Angstrom Maximum stress component: 0.25141041937362507 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[8.12397374e-31 2.94399256e-30 9.51315676e-02] [5.93648721e-31 1.61648443e-30 5.95131568e-01] [0.00000000e+00 4.75680736e-32 9.04868432e-01] [4.75562226e-31 0.00000000e+00 4.04868432e-01] [3.33333333e-01 6.66666667e-01 6.57889841e-01] [6.66666667e-01 3.33333333e-01 1.57889841e-01] [6.66666667e-01 3.33333333e-01 3.42110159e-01] [3.33333333e-01 6.66666667e-01 8.42110159e-01]] cellpar = Cell([[2.566797243769214, -2.4249748537284845e-17, 2.424059073833213e-35], [-1.283398621884607, 2.2229116194680176, 4.6375111498626516e-35], [4.3524983513184664e-36, 1.1317994449855534e-34, 8.462634671130921]]) forces = [[-3.98219725e-29 2.33806002e-30 -2.29861613e+00] [ 3.37474321e-29 -2.10428476e-29 -2.29861613e+00] [ 2.69979478e-29 -9.35233231e-30 2.29861613e+00] [-1.34989615e-30 -1.16904231e-29 2.29861613e+00] [-2.96977429e-29 1.40285041e-29 -3.02821775e+00] [ 8.77433110e-30 -8.18335817e-30 -3.02821775e+00] [ 2.09234102e-29 -1.05213679e-29 3.02821775e+00] [-3.37474317e-29 2.10428574e-29 3.02821775e+00]] stress = [ 2.51410419e-01 2.51410419e-01 2.32644287e-01 -1.42888253e-36 -3.02590593e-33 -1.22283454e-17] energy per atom = -8.508036764990743 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0