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 12:44:21 -66.472459 8.9799 BFGS: 1 12:44:21 -67.786538 8.7116 BFGS: 2 12:44:21 -69.096167 9.1844 BFGS: 3 12:44:21 -69.516532 2.8640 BFGS: 4 12:44:21 -69.150621 4.7439 BFGS: 5 12:44:21 -69.637597 3.1766 BFGS: 6 12:44:21 -69.103060 4.1333 BFGS: 7 12:44:22 -69.666143 2.3785 BFGS: 8 12:44:22 -69.118144 5.0014 BFGS: 9 12:44:22 -69.624443 2.8883 BFGS: 10 12:44:22 -69.076586 8.4304 BFGS: 11 12:44:22 -69.653347 2.6760 BFGS: 12 12:44:22 -69.283364 3.6022 BFGS: 13 12:44:22 -69.663553 2.6961 BFGS: 14 12:44:22 -69.019244 3.7927 BFGS: 15 12:44:23 -69.620917 2.3802 BFGS: 16 12:44:23 -69.111597 4.7890 BFGS: 17 12:44:23 -69.634042 2.6644 BFGS: 18 12:44:23 -69.107257 5.0354 BFGS: 19 12:44:23 -69.656910 2.4300 BFGS: 20 12:44:23 -69.179185 4.3652 BFGS: 21 12:44:23 -69.640742 2.6253 BFGS: 22 12:44:23 -69.126388 4.5846 BFGS: 23 12:44:23 -69.656168 2.3820 BFGS: 24 12:44:24 -69.155726 4.5536 BFGS: 25 12:44:24 -69.636886 2.6023 BFGS: 26 12:44:24 -69.162601 4.5222 BFGS: 27 12:44:24 -69.665313 2.3561 BFGS: 28 12:44:24 -69.206098 4.2662 BFGS: 29 12:44:24 -69.645850 2.6228 BFGS: 30 12:44:24 -69.179231 4.5162 BFGS: 31 12:44:24 -69.665141 2.3391 BFGS: 32 12:44:25 -69.204803 4.2989 BFGS: 33 12:44:25 -69.646120 2.6133 BFGS: 34 12:44:25 -69.204491 4.3969 BFGS: 35 12:44:25 -69.669971 2.3164 BFGS: 36 12:44:25 -69.226917 4.1800 BFGS: 37 12:44:25 -69.650446 2.6178 BFGS: 38 12:44:25 -69.222242 4.3615 BFGS: 39 12:44:25 -69.671952 2.3003 BFGS: 40 12:44:26 -69.234567 4.1499 BFGS: 41 12:44:26 -69.652237 2.6139 BFGS: 42 12:44:26 -69.241061 4.2845 BFGS: 43 12:44:26 -69.674989 2.2823 BFGS: 44 12:44:26 -69.246993 4.0869 BFGS: 45 12:44:26 -69.654932 2.6123 BFGS: 46 12:44:27 -69.256846 4.2325 BFGS: 47 12:44:27 -69.677200 2.2668 BFGS: 48 12:44:28 -69.256500 4.0410 BFGS: 49 12:44:28 -69.657130 2.6093 BFGS: 50 12:44:28 -69.271585 4.1772 BFGS: 51 12:44:28 -69.679398 2.2516 BFGS: 52 12:44:29 -69.270089 3.9668 BFGS: 53 12:44:29 -69.660231 2.6077 BFGS: 54 12:44:29 -69.283692 4.1392 BFGS: 55 12:44:29 -69.680914 2.2387 BFGS: 56 12:44:29 -69.283044 3.8956 BFGS: 57 12:44:30 -69.663297 2.6054 BFGS: 58 12:44:30 -69.294513 4.1053 BFGS: 59 12:44:30 -69.682273 2.2267 BFGS: 60 12:44:30 -69.294831 3.8311 BFGS: 61 12:44:30 -69.666172 2.6018 BFGS: 62 12:44:30 -69.304374 4.0742 BFGS: 63 12:44:30 -69.683568 2.2151 BFGS: 64 12:44:31 -69.305497 3.7731 BFGS: 65 12:44:31 -69.668843 2.5971 BFGS: 66 12:44:31 -69.313417 4.0453 BFGS: 67 12:44:31 -69.684816 2.2038 BFGS: 68 12:44:31 -69.315165 3.7209 BFGS: 69 12:44:31 -69.671324 2.5913 BFGS: 70 12:44:31 -69.321736 4.0185 BFGS: 71 12:44:31 -69.686020 2.1928 BFGS: 72 12:44:32 -69.323955 3.6739 BFGS: 73 12:44:32 -69.673630 2.5848 BFGS: 74 12:44:32 -69.329408 3.9936 BFGS: 75 12:44:32 -69.687181 2.1820 BFGS: 76 12:44:32 -69.331970 3.6314 BFGS: 77 12:44:32 -69.675776 2.5776 BFGS: 78 12:44:32 -69.336500 3.9704 BFGS: 79 12:44:32 -69.688300 2.1714 BFGS: 80 12:44:33 -69.339299 3.5931 BFGS: 81 12:44:33 -69.677776 2.5698 BFGS: 82 12:44:33 -69.343068 3.9490 BFGS: 83 12:44:33 -69.689377 2.1610 BFGS: 84 12:44:33 -69.346017 3.5583 BFGS: 85 12:44:33 -69.679641 2.5616 BFGS: 86 12:44:33 -69.349161 3.9292 BFGS: 87 12:44:33 -69.690413 2.1509 BFGS: 88 12:44:33 -69.352191 3.5267 BFGS: 89 12:44:34 -69.681385 2.5530 BFGS: 90 12:44:34 -69.354824 3.9109 BFGS: 91 12:44:34 -69.691408 2.1409 BFGS: 92 12:44:34 -69.357877 3.4981 BFGS: 93 12:44:34 -69.683015 2.5443 BFGS: 94 12:44:34 -69.360094 3.8940 BFGS: 95 12:44:34 -69.692362 2.1312 BFGS: 96 12:44:34 -69.363125 3.4720 BFGS: 97 12:44:35 -69.684542 2.5353 BFGS: 98 12:44:35 -69.365006 3.8784 BFGS: 99 12:44:35 -69.693278 2.1216 BFGS: 100 12:44:35 -69.367978 3.4482 BFGS: 101 12:44:35 -69.685973 2.5262 BFGS: 102 12:44:35 -69.369588 3.8640 BFGS: 103 12:44:35 -69.694154 2.1123 BFGS: 104 12:44:36 -69.372475 3.4265 BFGS: 105 12:44:36 -69.687316 2.5171 BFGS: 106 12:44:36 -69.373869 3.8507 BFGS: 107 12:44:36 -69.694993 2.1031 BFGS: 108 12:44:36 -69.376648 3.4067 BFGS: 109 12:44:36 -69.688577 2.5080 BFGS: 110 12:44:36 -69.377873 3.8385 BFGS: 111 12:44:36 -69.695796 2.0942 BFGS: 112 12:44:37 -69.380526 3.3886 BFGS: 113 12:44:37 -69.689763 2.4989 BFGS: 114 12:44:37 -69.381620 3.8273 BFGS: 115 12:44:37 -69.696564 2.0855 BFGS: 116 12:44:37 -69.384137 3.3721 BFGS: 117 12:44:37 -69.690879 2.4898 BFGS: 118 12:44:37 -69.385132 3.8170 BFGS: 119 12:44:37 -69.697297 2.0769 BFGS: 120 12:44:38 -69.387503 3.3569 BFGS: 121 12:44:38 -69.691929 2.4809 BFGS: 122 12:44:38 -69.388426 3.8075 BFGS: 123 12:44:38 -69.697998 2.0686 BFGS: 124 12:44:38 -69.390646 3.3430 BFGS: 125 12:44:38 -69.692919 2.4721 BFGS: 126 12:44:38 -69.391518 3.7988 BFGS: 127 12:44:38 -69.698668 2.0605 BFGS: 128 12:44:38 -69.393582 3.3302 BFGS: 129 12:44:39 -69.693853 2.4633 BFGS: 130 12:44:39 -69.394422 3.7909 BFGS: 131 12:44:39 -69.699307 2.0526 BFGS: 132 12:44:39 -69.396331 3.3185 BFGS: 133 12:44:39 -69.694734 2.4548 BFGS: 134 12:44:39 -69.397154 3.7836 BFGS: 135 12:44:39 -69.699917 2.0449 BFGS: 136 12:44:40 -69.398905 3.3077 BFGS: 137 12:44:40 -69.695565 2.4464 BFGS: 138 12:44:40 -69.399724 3.7770 BFGS: 139 12:44:40 -69.700500 2.0374 BFGS: 140 12:44:40 -69.401319 3.2977 BFGS: 141 12:44:40 -69.696351 2.4382 BFGS: 142 12:44:40 -69.402144 3.7710 BFGS: 143 12:44:40 -69.701056 2.0302 BFGS: 144 12:44:41 -69.403586 3.2886 BFGS: 145 12:44:41 -69.697094 2.4301 BFGS: 146 12:44:41 -69.404424 3.7655 BFGS: 147 12:44:41 -69.701587 2.0231 BFGS: 148 12:44:41 -69.405716 3.2802 BFGS: 149 12:44:41 -69.697797 2.4223 BFGS: 150 12:44:41 -69.406575 3.7605 BFGS: 151 12:44:41 -69.702094 2.0162 BFGS: 152 12:44:42 -69.407719 3.2724 BFGS: 153 12:44:42 -69.698463 2.4146 BFGS: 154 12:44:42 -69.408604 3.7560 BFGS: 155 12:44:42 -69.702577 2.0095 BFGS: 156 12:44:42 -69.409604 3.2652 BFGS: 157 12:44:42 -69.699093 2.4072 BFGS: 158 12:44:42 -69.410520 3.7519 BFGS: 159 12:44:43 -69.703039 2.0030 BFGS: 160 12:44:43 -69.411381 3.2586 BFGS: 161 12:44:43 -69.699690 2.3999 BFGS: 162 12:44:43 -69.412330 3.7482 BFGS: 163 12:44:43 -69.703480 1.9967 BFGS: 164 12:44:43 -69.413056 3.2525 BFGS: 165 12:44:43 -69.700256 2.3928 BFGS: 166 12:44:43 -69.414041 3.7449 BFGS: 167 12:44:44 -69.703901 1.9905 BFGS: 168 12:44:44 -69.414636 3.2468 BFGS: 169 12:44:44 -69.700792 2.3860 BFGS: 170 12:44:44 -69.415660 3.7419 BFGS: 171 12:44:44 -69.704303 1.9846 BFGS: 172 12:44:44 -69.416129 3.2416 BFGS: 173 12:44:44 -69.701302 2.3793 BFGS: 174 12:44:44 -69.417193 3.7393 BFGS: 175 12:44:45 -69.704687 1.9788 BFGS: 176 12:44:45 -69.417539 3.2367 BFGS: 177 12:44:45 -69.701785 2.3728 BFGS: 178 12:44:45 -69.418644 3.7369 BFGS: 179 12:44:45 -69.705054 1.9732 BFGS: 180 12:44:45 -69.418873 3.2323 BFGS: 181 12:44:45 -69.702244 2.3665 BFGS: 182 12:44:45 -69.420019 3.7348 BFGS: 183 12:44:46 -69.705405 1.9678 BFGS: 184 12:44:46 -69.420135 3.2281 BFGS: 185 12:44:46 -69.702681 2.3604 BFGS: 186 12:44:46 -69.421322 3.7330 BFGS: 187 12:44:46 -69.705740 1.9625 BFGS: 188 12:44:46 -69.421331 3.2242 BFGS: 189 12:44:46 -69.703096 2.3545 BFGS: 190 12:44:47 -69.422559 3.7314 BFGS: 191 12:44:47 -69.706060 1.9574 BFGS: 192 12:44:47 -69.422463 3.2207 BFGS: 193 12:44:47 -69.703490 2.3488 BFGS: 194 12:44:47 -69.423733 3.7301 BFGS: 195 12:44:47 -69.706366 1.9524 BFGS: 196 12:44:47 -69.423537 3.2173 BFGS: 197 12:44:47 -69.703865 2.3432 BFGS: 198 12:44:48 -69.424847 3.7289 BFGS: 199 12:44:48 -69.706659 1.9476 BFGS: 200 12:44:48 -69.424556 3.2142 BFGS: 201 12:44:48 -69.704223 2.3378 BFGS: 202 12:44:48 -69.425906 3.7279 BFGS: 203 12:44:48 -69.706939 1.9430 BFGS: 204 12:44:48 -69.425523 3.2114 BFGS: 205 12:44:48 -69.704563 2.3326 BFGS: 206 12:44:49 -69.426913 3.7271 BFGS: 207 12:44:49 -69.707207 1.9384 BFGS: 208 12:44:49 -69.426442 3.2087 BFGS: 209 12:44:49 -69.704887 2.3276 BFGS: 210 12:44:49 -69.427870 3.7265 BFGS: 211 12:44:49 -69.707464 1.9340 BFGS: 212 12:44:50 -69.427315 3.2062 BFGS: 213 12:44:50 -69.705196 2.3227 BFGS: 214 12:44:50 -69.428781 3.7260 BFGS: 215 12:44:50 -69.707709 1.9298 BFGS: 216 12:44:50 -69.428145 3.2039 BFGS: 217 12:44:50 -69.705490 2.3180 BFGS: 218 12:44:50 -69.429649 3.7256 BFGS: 219 12:44:50 -69.707944 1.9257 BFGS: 220 12:44:51 -69.428935 3.2018 BFGS: 221 12:44:51 -69.705771 2.3134 BFGS: 222 12:44:51 -69.430475 3.7253 BFGS: 223 12:44:51 -69.708170 1.9217 BFGS: 224 12:44:51 -69.429687 3.1998 BFGS: 225 12:44:51 -69.706039 2.3090 BFGS: 226 12:44:51 -69.431262 3.7252 BFGS: 227 12:44:51 -69.708386 1.9178 BFGS: 228 12:44:52 -69.430403 3.1979 BFGS: 229 12:44:52 -69.706295 2.3047 BFGS: 230 12:44:52 -69.432012 3.7252 BFGS: 231 12:44:52 -69.708593 1.9140 BFGS: 232 12:44:52 -69.431086 3.1962 BFGS: 233 12:44:52 -69.706539 2.3005 BFGS: 234 12:44:52 -69.432728 3.7253 BFGS: 235 12:44:52 -69.708791 1.9104 BFGS: 236 12:44:53 -69.431736 3.1945 BFGS: 237 12:44:53 -69.706772 2.2965 BFGS: 238 12:44:53 -69.433411 3.7254 BFGS: 239 12:44:53 -69.708982 1.9068 BFGS: 240 12:44:53 -69.432357 3.1930 BFGS: 241 12:44:53 -69.706995 2.2927 BFGS: 242 12:44:54 -69.434064 3.7256 BFGS: 243 12:44:54 -69.709164 1.9034 BFGS: 244 12:44:54 -69.432949 3.1916 BFGS: 245 12:44:54 -69.707208 2.2889 BFGS: 246 12:44:54 -69.434687 3.7260 BFGS: 247 12:44:54 -69.709340 1.9001 BFGS: 248 12:44:54 -69.433515 3.1903 BFGS: 249 12:44:54 -69.707411 2.2853 BFGS: 250 12:44:55 -69.435282 3.7263 BFGS: 251 12:44:55 -69.709508 1.8968 BFGS: 252 12:44:55 -69.434055 3.1890 BFGS: 253 12:44:55 -69.707606 2.2818 BFGS: 254 12:44:55 -69.435852 3.7268 BFGS: 255 12:44:55 -69.709670 1.8937 BFGS: 256 12:44:55 -69.434572 3.1879 BFGS: 257 12:44:55 -69.707793 2.2784 BFGS: 258 12:44:55 -69.436396 3.7273 BFGS: 259 12:44:56 -69.709826 1.8907 BFGS: 260 12:44:56 -69.435065 3.1868 BFGS: 261 12:44:56 -69.707971 2.2751 BFGS: 262 12:44:56 -69.436917 3.7278 BFGS: 263 12:44:56 -69.709975 1.8877 BFGS: 264 12:44:56 -69.435538 3.1857 BFGS: 265 12:44:56 -69.708142 2.2719 BFGS: 266 12:44:57 -69.437416 3.7284 BFGS: 267 12:44:57 -69.710119 1.8848 BFGS: 268 12:44:57 -69.435990 3.1848 BFGS: 269 12:44:57 -69.708306 2.2688 BFGS: 270 12:44:57 -69.437895 3.7290 BFGS: 271 12:44:57 -69.710257 1.8821 BFGS: 272 12:44:57 -69.436423 3.1839 BFGS: 273 12:44:58 -69.708463 2.2658 BFGS: 274 12:44:58 -69.438353 3.7297 BFGS: 275 12:44:58 -69.710390 1.8793 BFGS: 276 12:44:58 -69.436838 3.1830 BFGS: 277 12:44:58 -69.708613 2.2630 BFGS: 278 12:44:58 -69.438792 3.7304 BFGS: 279 12:44:58 -69.710518 1.8767 BFGS: 280 12:44:58 -69.437236 3.1822 BFGS: 281 12:44:59 -69.708757 2.2602 BFGS: 282 12:44:59 -69.439213 3.7311 BFGS: 283 12:44:59 -69.710641 1.8742 BFGS: 284 12:44:59 -69.437617 3.1815 BFGS: 285 12:44:59 -69.708896 2.2575 BFGS: 286 12:44:59 -69.439618 3.7319 BFGS: 287 12:44:59 -69.710760 1.8717 BFGS: 288 12:44:59 -69.437983 3.1808 BFGS: 289 12:45:00 -69.709028 2.2548 BFGS: 290 12:45:00 -69.440006 3.7327 BFGS: 291 12:45:00 -69.710875 1.8693 BFGS: 292 12:45:00 -69.438334 3.1801 BFGS: 293 12:45:00 -69.709156 2.2523 BFGS: 294 12:45:00 -69.440379 3.7335 BFGS: 295 12:45:00 -69.710985 1.8669 BFGS: 296 12:45:01 -69.438672 3.1795 BFGS: 297 12:45:01 -69.709278 2.2499 BFGS: 298 12:45:01 -69.440738 3.7343 BFGS: 299 12:45:01 -69.711092 1.8647 BFGS: 300 12:45:01 -69.438996 3.1789 BFGS: 301 12:45:01 -69.709396 2.2475 BFGS: 302 12:45:01 -69.441083 3.7351 BFGS: 303 12:45:01 -69.711195 1.8624 BFGS: 304 12:45:02 -69.439307 3.1783 BFGS: 305 12:45:02 -69.709509 2.2452 BFGS: 306 12:45:02 -69.441414 3.7360 BFGS: 307 12:45:02 -69.711294 1.8603 BFGS: 308 12:45:02 -69.439607 3.1778 BFGS: 309 12:45:02 -69.709618 2.2429 BFGS: 310 12:45:02 -69.441734 3.7369 BFGS: 311 12:45:02 -69.711390 1.8582 BFGS: 312 12:45:03 -69.439895 3.1773 BFGS: 313 12:45:03 -69.709722 2.2408 BFGS: 314 12:45:03 -69.442041 3.7377 BFGS: 315 12:45:03 -69.711482 1.8561 BFGS: 316 12:45:03 -69.440172 3.1768 BFGS: 317 12:45:03 -69.709823 2.2387 BFGS: 318 12:45:03 -69.442337 3.7386 BFGS: 319 12:45:04 -69.711572 1.8542 BFGS: 320 12:45:04 -69.440439 3.1764 BFGS: 321 12:45:04 -69.709920 2.2366 BFGS: 322 12:45:04 -69.442622 3.7395 BFGS: 323 12:45:04 -69.711658 1.8522 BFGS: 324 12:45:04 -69.440697 3.1759 BFGS: 325 12:45:04 -69.710013 2.2347 BFGS: 326 12:45:05 -69.442897 3.7404 BFGS: 327 12:45:05 -69.711742 1.8504 BFGS: 328 12:45:05 -69.440945 3.1755 BFGS: 329 12:45:05 -69.710103 2.2328 BFGS: 330 12:45:05 -69.443163 3.7413 BFGS: 331 12:45:05 -69.711823 1.8485 BFGS: 332 12:45:05 -69.441184 3.1751 BFGS: 333 12:45:05 -69.710189 2.2309 BFGS: 334 12:45:06 -69.443419 3.7422 BFGS: 335 12:45:06 -69.711901 1.8467 BFGS: 336 12:45:06 -69.441415 3.1748 BFGS: 337 12:45:06 -69.710273 2.2291 BFGS: 338 12:45:06 -69.443666 3.7431 BFGS: 339 12:45:06 -69.711977 1.8450 BFGS: 340 12:45:06 -69.441638 3.1744 BFGS: 341 12:45:06 -69.710353 2.2274 BFGS: 342 12:45:07 -69.443905 3.7440 BFGS: 343 12:45:07 -69.712050 1.8433 BFGS: 344 12:45:07 -69.441853 3.1741 BFGS: 345 12:45:07 -69.710431 2.2257 BFGS: 346 12:45:07 -69.444136 3.7449 BFGS: 347 12:45:07 -69.712121 1.8417 BFGS: 348 12:45:07 -69.442061 3.1737 BFGS: 349 12:45:08 -69.710506 2.2240 BFGS: 350 12:45:08 -69.444360 3.7458 BFGS: 351 12:45:08 -69.712190 1.8401 BFGS: 352 12:45:08 -69.442262 3.1734 BFGS: 353 12:45:08 -69.710578 2.2224 BFGS: 354 12:45:08 -69.444576 3.7467 BFGS: 355 12:45:08 -69.712257 1.8385 BFGS: 356 12:45:08 -69.442456 3.1731 BFGS: 357 12:45:08 -69.710648 2.2209 BFGS: 358 12:45:09 -69.444785 3.7476 BFGS: 359 12:45:09 -69.712322 1.8370 BFGS: 360 12:45:09 -69.442644 3.1728 BFGS: 361 12:45:09 -69.710715 2.2194 BFGS: 362 12:45:09 -69.444987 3.7484 BFGS: 363 12:45:09 -69.712385 1.8355 BFGS: 364 12:45:09 -69.442825 3.1725 BFGS: 365 12:45:09 -69.710780 2.2179 BFGS: 366 12:45:09 -69.445183 3.7493 BFGS: 367 12:45:10 -69.712447 1.8340 BFGS: 368 12:45:10 -69.443001 3.1722 BFGS: 369 12:45:10 -69.710843 2.2165 BFGS: 370 12:45:10 -69.445373 3.7502 BFGS: 371 12:45:10 -69.712506 1.8326 BFGS: 372 12:45:10 -69.443172 3.1720 BFGS: 373 12:45:10 -69.710904 2.2151 BFGS: 374 12:45:10 -69.445557 3.7511 BFGS: 375 12:45:10 -69.712564 1.8312 BFGS: 376 12:45:11 -69.443337 3.1717 BFGS: 377 12:45:11 -69.710963 2.2138 BFGS: 378 12:45:11 -69.445736 3.7519 BFGS: 379 12:45:11 -69.712620 1.8299 BFGS: 380 12:45:11 -69.443497 3.1715 BFGS: 381 12:45:11 -69.711020 2.2125 BFGS: 382 12:45:11 -69.445909 3.7528 BFGS: 383 12:45:11 -69.712675 1.8286 BFGS: 384 12:45:11 -69.443653 3.1712 BFGS: 385 12:45:12 -69.711075 2.2112 BFGS: 386 12:45:12 -69.446078 3.7536 BFGS: 387 12:45:12 -69.712728 1.8273 BFGS: 388 12:45:12 -69.443804 3.1710 BFGS: 389 12:45:12 -69.711128 2.2100 BFGS: 390 12:45:12 -69.446241 3.7545 BFGS: 391 12:45:12 -69.712779 1.8260 BFGS: 392 12:45:12 -69.443950 3.1708 BFGS: 393 12:45:12 -69.711180 2.2088 BFGS: 394 12:45:13 -69.446400 3.7553 BFGS: 395 12:45:13 -69.712830 1.8248 BFGS: 396 12:45:13 -69.444092 3.1705 BFGS: 397 12:45:13 -69.711230 2.2076 BFGS: 398 12:45:13 -69.446554 3.7561 BFGS: 399 12:45:13 -69.712879 1.8236 BFGS: 400 12:45:13 -69.444230 3.1703 BFGS: 401 12:45:13 -69.711279 2.2065 BFGS: 402 12:45:14 -69.446705 3.7569 BFGS: 403 12:45:14 -69.712926 1.8224 BFGS: 404 12:45:14 -69.444364 3.1701 BFGS: 405 12:45:14 -69.711326 2.2053 BFGS: 406 12:45:14 -69.446851 3.7577 BFGS: 407 12:45:14 -69.712973 1.8213 BFGS: 408 12:45:14 -69.444495 3.1699 BFGS: 409 12:45:14 -69.711372 2.2043 BFGS: 410 12:45:14 -69.446993 3.7585 BFGS: 411 12:45:15 -69.713018 1.8201 BFGS: 412 12:45:15 -69.444622 3.1697 BFGS: 413 12:45:15 -69.711416 2.2032 BFGS: 414 12:45:15 -69.447131 3.7593 BFGS: 415 12:45:15 -69.713063 1.8191 BFGS: 416 12:45:15 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5709 12:54:51 -69.716241 2.1107 BFGS: 5710 12:54:51 -69.453233 3.8661 BFGS: 5711 12:54:51 -69.716168 1.7375 BFGS: 5712 12:54:52 -69.461757 3.0883 BFGS: 5713 12:54:52 -69.716242 2.1107 BFGS: 5714 12:54:52 -69.453233 3.8661 BFGS: 5715 12:54:52 -69.716168 1.7375 BFGS: 5716 12:54:52 -69.461758 3.0883 BFGS: 5717 12:54:52 -69.716242 2.1107 BFGS: 5718 12:54:52 -69.453233 3.8661 BFGS: 5719 12:54:52 -69.716168 1.7375 BFGS: 5720 12:54:52 -69.461759 3.0883 BFGS: 5721 12:54:53 -69.716242 2.1107 BFGS: 5722 12:54:53 -69.453233 3.8661 BFGS: 5723 12:54:53 -69.716168 1.7375 BFGS: 5724 12:54:53 -69.461760 3.0883 BFGS: 5725 12:54:53 -69.716242 2.1107 BFGS: 5726 12:54:53 -69.453233 3.8661 BFGS: 5727 12:54:53 -69.716168 1.7375 BFGS: 5728 12:54:53 -69.461761 3.0883 BFGS: 5729 12:54:53 -69.716242 2.1107 BFGS: 5730 12:54:54 -69.453233 3.8661 BFGS: 5731 12:54:54 -69.716168 1.7375 BFGS: 5732 12:54:54 -69.461762 3.0883 BFGS: 5733 12:54:54 -69.716243 2.1107 BFGS: 5734 12:54:54 -69.453233 3.8661 BFGS: 5735 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5814 12:55:03 -69.453233 3.8662 BFGS: 5815 12:55:03 -69.716170 1.7374 BFGS: 5816 12:55:03 -69.461780 3.0882 BFGS: 5817 12:55:03 -69.716247 2.1106 BFGS: 5818 12:55:03 -69.453233 3.8662 BFGS: 5819 12:55:03 -69.716170 1.7374 BFGS: 5820 12:55:03 -69.461781 3.0882 BFGS: 5821 12:55:03 -69.716248 2.1106 BFGS: 5822 12:55:04 -69.453233 3.8662 BFGS: 5823 12:55:04 -69.716170 1.7374 BFGS: 5824 12:55:04 -69.461782 3.0881 BFGS: 5825 12:55:04 -69.716248 2.1106 BFGS: 5826 12:55:04 -69.453233 3.8662 BFGS: 5827 12:55:04 -69.716170 1.7374 BFGS: 5828 12:55:04 -69.461783 3.0881 BFGS: 5829 12:55:04 -69.716248 2.1106 BFGS: 5830 12:55:04 -69.453233 3.8662 BFGS: 5831 12:55:05 -69.716170 1.7374 BFGS: 5832 12:55:05 -69.461784 3.0881 BFGS: 5833 12:55:05 -69.716248 2.1106 BFGS: 5834 12:55:05 -69.453233 3.8662 BFGS: 5835 12:55:05 -69.716170 1.7374 BFGS: 5836 12:55:05 -69.461784 3.0881 BFGS: 5837 12:55:05 -69.716248 2.1106 BFGS: 5838 12:55:05 -69.453233 3.8662 BFGS: 5839 12:55:05 -69.716171 1.7374 BFGS: 5840 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-69.716299 2.1098 BFGS: 7022 12:57:14 -69.453234 3.8675 BFGS: 7023 12:57:14 -69.716192 1.7368 BFGS: 7024 12:57:14 -69.461989 3.0868 BFGS: 7025 12:57:14 -69.716299 2.1098 BFGS: 7026 12:57:14 -69.453234 3.8675 BFGS: 7027 12:57:14 -69.716192 1.7368 BFGS: 7028 12:57:15 -69.461989 3.0868 BFGS: 7029 12:57:15 -69.716299 2.1098 BFGS: 7030 12:57:15 -69.453234 3.8675 BFGS: 7031 12:57:15 -69.716192 1.7368 BFGS: 7032 12:57:15 -69.461990 3.0868 BFGS: 7033 12:57:15 -69.716299 2.1098 BFGS: 7034 12:57:15 -69.453234 3.8675 BFGS: 7035 12:57:15 -69.716192 1.7368 BFGS: 7036 12:57:15 -69.461991 3.0868 BFGS: 7037 12:57:16 -69.716300 2.1098 BFGS: 7038 12:57:16 -69.453234 3.8675 BFGS: 7039 12:57:16 -69.716193 1.7368 BFGS: 7040 12:57:16 -69.461991 3.0868 BFGS: 7041 12:57:16 -69.716300 2.1098 BFGS: 7042 12:57:16 -69.453234 3.8675 BFGS: 7043 12:57:16 -69.716193 1.7368 BFGS: 7044 12:57:16 -69.461992 3.0868 BFGS: 7045 12:57:16 -69.716300 2.1098 BFGS: 7046 12:57:16 -69.453234 3.8675 BFGS: 7047 12:57:17 -69.716193 1.7368 BFGS: 7048 12:57:17 -69.461992 3.0868 BFGS: 7049 12:57:17 -69.716300 2.1098 BFGS: 7050 12:57:17 -69.453234 3.8675 BFGS: 7051 12:57:17 -69.716193 1.7368 BFGS: 7052 12:57:17 -69.461993 3.0868 BFGS: 7053 12:57:17 -69.716300 2.1098 BFGS: 7054 12:57:17 -69.453234 3.8675 BFGS: 7055 12:57:17 -69.716193 1.7368 BFGS: 7056 12:57:18 -69.461993 3.0868 BFGS: 7057 12:57:18 -69.716300 2.1098 BFGS: 7058 12:57:18 -69.453234 3.8675 BFGS: 7059 12:57:18 -69.716193 1.7368 BFGS: 7060 12:57:18 -69.461994 3.0868 BFGS: 7061 12:57:18 -69.716300 2.1098 BFGS: 7062 12:57:18 -69.453234 3.8675 BFGS: 7063 12:57:18 -69.716193 1.7368 BFGS: 7064 12:57:18 -69.461994 3.0868 BFGS: 7065 12:57:19 -69.716300 2.1098 BFGS: 7066 12:57:19 -69.453234 3.8675 BFGS: 7067 12:57:19 -69.716193 1.7368 BFGS: 7068 12:57:19 -69.461995 3.0868 BFGS: 7069 12:57:19 -69.716301 2.1098 BFGS: 7070 12:57:19 -69.453234 3.8675 BFGS: 7071 12:57:19 -69.716193 1.7368 BFGS: 7072 12:57:19 -69.461995 3.0868 BFGS: 7073 12:57:19 -69.716301 2.1098 BFGS: 7074 12:57:20 -69.453234 3.8675 BFGS: 7075 12:57:20 -69.716193 1.7368 BFGS: 7076 12:57:20 -69.461996 3.0868 BFGS: 7077 12:57:20 -69.716301 2.1098 BFGS: 7078 12:57:20 -69.453234 3.8675 BFGS: 7079 12:57:20 -69.716193 1.7368 BFGS: 7080 12:57:20 -69.461997 3.0868 BFGS: 7081 12:57:20 -69.716301 2.1098 BFGS: 7082 12:57:20 -69.453234 3.8675 BFGS: 7083 12:57:21 -69.716193 1.7368 BFGS: 7084 12:57:21 -69.461997 3.0868 BFGS: 7085 12:57:21 -69.716301 2.1098 BFGS: 7086 12:57:21 -69.453234 3.8675 BFGS: 7087 12:57:21 -69.716193 1.7368 BFGS: 7088 12:57:21 -69.461998 3.0868 BFGS: 7089 12:57:21 -69.716301 2.1098 BFGS: 7090 12:57:21 -69.453234 3.8675 BFGS: 7091 12:57:21 -69.716193 1.7368 BFGS: 7092 12:57:21 -69.461998 3.0868 BFGS: 7093 12:57:22 -69.716301 2.1098 BFGS: 7094 12:57:22 -69.453234 3.8675 BFGS: 7095 12:57:22 -69.716193 1.7368 BFGS: 7096 12:57:22 -69.461999 3.0868 BFGS: 7097 12:57:22 -69.716302 2.1097 BFGS: 7098 12:57:22 -69.453234 3.8675 BFGS: 7099 12:57:22 -69.716193 1.7368 BFGS: 7100 12:57:22 -69.461999 3.0868 BFGS: 7101 12:57:22 -69.716302 2.1097 BFGS: 7102 12:57:23 -69.453234 3.8676 BFGS: 7103 12:57:23 -69.716193 1.7368 BFGS: 7104 12:57:23 -69.462000 3.0868 BFGS: 7105 12:57:23 -69.716302 2.1097 BFGS: 7106 12:57:23 -69.453234 3.8676 BFGS: 7107 12:57:23 -69.716194 1.7368 BFGS: 7108 12:57:23 -69.462000 3.0868 BFGS: 7109 12:57:23 -69.716302 2.1097 BFGS: 7110 12:57:23 -69.453234 3.8676 BFGS: 7111 12:57:24 -69.716194 1.7368 BFGS: 7112 12:57:24 -69.462001 3.0868 BFGS: 7113 12:57:24 -69.716302 2.1097 BFGS: 7114 12:57:24 -69.453234 3.8676 BFGS: 7115 12:57:24 -69.716194 1.7368 BFGS: 7116 12:57:24 -69.462001 3.0868 BFGS: 7117 12:57:24 -69.716302 2.1097 BFGS: 7118 12:57:24 -69.453234 3.8676 BFGS: 7119 12:57:24 -69.716194 1.7368 BFGS: 7120 12:57:25 -69.462002 3.0868 BFGS: 7121 12:57:25 -69.716302 2.1097 BFGS: 7122 12:57:25 -69.453234 3.8676 BFGS: 7123 12:57:25 -69.716194 1.7368 BFGS: 7124 12:57:25 -69.462003 3.0868 BFGS: 7125 12:57:25 -69.716302 2.1097 BFGS: 7126 12:57:25 -69.453234 3.8676 BFGS: 7127 12:57:25 -69.716194 1.7368 BFGS: 7128 12:57:25 -69.462003 3.0867 BFGS: 7129 12:57:26 -69.716303 2.1097 BFGS: 7130 12:57:26 -69.453234 3.8676 BFGS: 7131 12:57:26 -69.716194 1.7368 BFGS: 7132 12:57:26 -69.462004 3.0867 BFGS: 7133 12:57:26 -69.716303 2.1097 BFGS: 7134 12:57:26 -69.453234 3.8676 BFGS: 7135 12:57:26 -69.716194 1.7368 BFGS: 7136 12:57:26 -69.462004 3.0867 BFGS: 7137 12:57:26 -69.716303 2.1097 BFGS: 7138 12:57:26 -69.453234 3.8676 BFGS: 7139 12:57:27 -69.716194 1.7367 BFGS: 7140 12:57:27 -69.462005 3.0867 BFGS: 7141 12:57:27 -69.716303 2.1097 BFGS: 7142 12:57:27 -69.453234 3.8676 BFGS: 7143 12:57:27 -69.716194 1.7367 BFGS: 7144 12:57:27 -69.462005 3.0867 BFGS: 7145 12:57:27 -69.716303 2.1097 BFGS: 7146 12:57:27 -69.453234 3.8676 BFGS: 7147 12:57:27 -69.716194 1.7367 BFGS: 7148 12:57:28 -69.462006 3.0867 BFGS: 7149 12:57:28 -69.716303 2.1097 BFGS: 7150 12:57:28 -69.453234 3.8676 BFGS: 7151 12:57:28 -69.716194 1.7367 BFGS: 7152 12:57:28 -69.462006 3.0867 BFGS: 7153 12:57:28 -69.716303 2.1097 BFGS: 7154 12:57:28 -69.453234 3.8676 BFGS: 7155 12:57:28 -69.716194 1.7367 BFGS: 7156 12:57:28 -69.462007 3.0867 BFGS: 7157 12:57:29 -69.716304 2.1097 BFGS: 7158 12:57:29 -69.453234 3.8676 BFGS: 7159 12:57:29 -69.716194 1.7367 BFGS: 7160 12:57:29 -69.462007 3.0867 BFGS: 7161 12:57:29 -69.716304 2.1097 BFGS: 7162 12:57:29 -69.453234 3.8676 BFGS: 7163 12:57:29 -69.716194 1.7367 BFGS: 7164 12:57:29 -69.462008 3.0867 BFGS: 7165 12:57:29 -69.716304 2.1097 BFGS: 7166 12:57:30 -69.453234 3.8676 BFGS: 7167 12:57:30 -69.716194 1.7367 BFGS: 7168 12:57:30 -69.462008 3.0867 BFGS: 7169 12:57:30 -69.716304 2.1097 BFGS: 7170 12:57:30 -69.453234 3.8676 BFGS: 7171 12:57:30 -69.716194 1.7367 BFGS: 7172 12:57:30 -69.462009 3.0867 BFGS: 7173 12:57:30 -69.716304 2.1097 BFGS: 7174 12:57:30 -69.453234 3.8676 BFGS: 7175 12:57:30 -69.716194 1.7367 BFGS: 7176 12:57:31 -69.462009 3.0867 BFGS: 7177 12:57:31 -69.716304 2.1097 BFGS: 7178 12:57:31 -69.453234 3.8676 BFGS: 7179 12:57:31 -69.716195 1.7367 BFGS: 7180 12:57:31 -69.462010 3.0867 BFGS: 7181 12:57:31 -69.716304 2.1097 BFGS: 7182 12:57:31 -69.453234 3.8676 BFGS: 7183 12:57:31 -69.716195 1.7367 BFGS: 7184 12:57:31 -69.462010 3.0867 BFGS: 7185 12:57:32 -69.716304 2.1097 BFGS: 7186 12:57:32 -69.453234 3.8676 BFGS: 7187 12:57:32 -69.716195 1.7367 BFGS: 7188 12:57:32 -69.462011 3.0867 BFGS: 7189 12:57:32 -69.716305 2.1097 BFGS: 7190 12:57:32 -69.453234 3.8676 BFGS: 7191 12:57:32 -69.716195 1.7367 BFGS: 7192 12:57:32 -69.462012 3.0867 BFGS: 7193 12:57:32 -69.716305 2.1097 BFGS: 7194 12:57:33 -69.453234 3.8676 BFGS: 7195 12:57:33 -69.716195 1.7367 BFGS: 7196 12:57:33 -69.462012 3.0867 BFGS: 7197 12:57:33 -69.716305 2.1097 BFGS: 7198 12:57:33 -69.453234 3.8676 BFGS: 7199 12:57:33 -69.716195 1.7367 BFGS: 7200 12:57:33 -69.462013 3.0867 BFGS: 7201 12:57:33 -69.716305 2.1097 BFGS: 7202 12:57:33 -69.453234 3.8676 BFGS: 7203 12:57:34 -69.716195 1.7367 BFGS: 7204 12:57:34 -69.462013 3.0867 BFGS: 7205 12:57:34 -69.716305 2.1097 BFGS: 7206 12:57:34 -69.453234 3.8676 BFGS: 7207 12:57:34 -69.716195 1.7367 BFGS: 7208 12:57:34 -69.462014 3.0867 BFGS: 7209 12:57:34 -69.716305 2.1097 BFGS: 7210 12:57:34 -69.453234 3.8676 BFGS: 7211 12:57:34 -69.716195 1.7367 BFGS: 7212 12:57:35 -69.462014 3.0867 BFGS: 7213 12:57:35 -69.716305 2.1097 BFGS: 7214 12:57:35 -69.453234 3.8676 BFGS: 7215 12:57:35 -69.716195 1.7367 BFGS: 7216 12:57:35 -69.462015 3.0867 BFGS: 7217 12:57:35 -69.716305 2.1097 BFGS: 7218 12:57:35 -69.453234 3.8676 BFGS: 7219 12:57:35 -69.716195 1.7367 BFGS: 7220 12:57:35 -69.462015 3.0867 BFGS: 7221 12:57:35 -69.716306 2.1097 BFGS: 7222 12:57:36 -69.453234 3.8677 BFGS: 7223 12:57:36 -69.716195 1.7367 BFGS: 7224 12:57:36 -69.462016 3.0867 BFGS: 7225 12:57:36 -69.716306 2.1097 BFGS: 7226 12:57:36 -69.453234 3.8677 BFGS: 7227 12:57:36 -69.716195 1.7367 BFGS: 7228 12:57:36 -69.462016 3.0867 BFGS: 7229 12:57:36 -69.716306 2.1097 BFGS: 7230 12:57:36 -69.453234 3.8677 BFGS: 7231 12:57:37 -69.716195 1.7367 BFGS: 7232 12:57:37 -69.462017 3.0867 BFGS: 7233 12:57:37 -69.716306 2.1097 BFGS: 7234 12:57:37 -69.453234 3.8677 BFGS: 7235 12:57:37 -69.716195 1.7367 BFGS: 7236 12:57:37 -69.462017 3.0867 BFGS: 7237 12:57:37 -69.716306 2.1097 BFGS: 7238 12:57:37 -69.453234 3.8677 BFGS: 7239 12:57:37 -69.716195 1.7367 BFGS: 7240 12:57:38 -69.462018 3.0867 BFGS: 7241 12:57:38 -69.716306 2.1097 BFGS: 7242 12:57:38 -69.453234 3.8677 BFGS: 7243 12:57:38 -69.716195 1.7367 BFGS: 7244 12:57:38 -69.462018 3.0866 BFGS: 7245 12:57:38 -69.716306 2.1097 BFGS: 7246 12:57:38 -69.453234 3.8677 BFGS: 7247 12:57:38 -69.716195 1.7367 BFGS: 7248 12:57:38 -69.462019 3.0866 BFGS: 7249 12:57:39 -69.716307 2.1097 BFGS: 7250 12:57:39 -69.453234 3.8677 BFGS: 7251 12:57:39 -69.716196 1.7367 BFGS: 7252 12:57:39 -69.462019 3.0866 BFGS: 7253 12:57:39 -69.716307 2.1097 BFGS: 7254 12:57:39 -69.453234 3.8677 BFGS: 7255 12:57:39 -69.716196 1.7367 BFGS: 7256 12:57:39 -69.462020 3.0866 BFGS: 7257 12:57:39 -69.716307 2.1097 BFGS: 7258 12:57:40 -69.453234 3.8677 BFGS: 7259 12:57:40 -69.716196 1.7367 BFGS: 7260 12:57:40 -69.462020 3.0866 BFGS: 7261 12:57:40 -69.716307 2.1097 BFGS: 7262 12:57:40 -69.453234 3.8677 BFGS: 7263 12:57:40 -69.716196 1.7367 BFGS: 7264 12:57:40 -69.462021 3.0866 BFGS: 7265 12:57:40 -69.716307 2.1097 BFGS: 7266 12:57:40 -69.453234 3.8677 BFGS: 7267 12:57:40 -69.716196 1.7367 BFGS: 7268 12:57:41 -69.462021 3.0866 BFGS: 7269 12:57:41 -69.716307 2.1097 BFGS: 7270 12:57:41 -69.453234 3.8677 BFGS: 7271 12:57:41 -69.716196 1.7367 BFGS: 7272 12:57:41 -69.462022 3.0866 BFGS: 7273 12:57:41 -69.716307 2.1097 BFGS: 7274 12:57:41 -69.453234 3.8677 BFGS: 7275 12:57:41 -69.716196 1.7367 BFGS: 7276 12:57:41 -69.462022 3.0866 BFGS: 7277 12:57:42 -69.716307 2.1097 BFGS: 7278 12:57:42 -69.453234 3.8677 BFGS: 7279 12:57:42 -69.716196 1.7367 BFGS: 7280 12:57:42 -69.462023 3.0866 BFGS: 7281 12:57:42 -69.716308 2.1097 BFGS: 7282 12:57:42 -69.453234 3.8677 BFGS: 7283 12:57:42 -69.716196 1.7367 BFGS: 7284 12:57:42 -69.462023 3.0866 BFGS: 7285 12:57:42 -69.716308 2.1097 BFGS: 7286 12:57:43 -69.453234 3.8677 BFGS: 7287 12:57:43 -69.716196 1.7367 BFGS: 7288 12:57:43 -69.462024 3.0866 BFGS: 7289 12:57:43 -69.716308 2.1096 BFGS: 7290 12:57:43 -69.453234 3.8677 BFGS: 7291 12:57:43 -69.716196 1.7367 BFGS: 7292 12:57:43 -69.462024 3.0866 BFGS: 7293 12:57:43 -69.716308 2.1096 BFGS: 7294 12:57:43 -69.453234 3.8677 BFGS: 7295 12:57:44 -69.716196 1.7367 BFGS: 7296 12:57:44 -69.462025 3.0866 BFGS: 7297 12:57:44 -69.716308 2.1096 BFGS: 7298 12:57:44 -69.453234 3.8677 BFGS: 7299 12:57:44 -69.716196 1.7367 BFGS: 7300 12:57:44 -69.462025 3.0866 BFGS: 7301 12:57:44 -69.716308 2.1096 BFGS: 7302 12:57:44 -69.453234 3.8677 BFGS: 7303 12:57:44 -69.716196 1.7367 BFGS: 7304 12:57:45 -69.462026 3.0866 BFGS: 7305 12:57:45 -69.716308 2.1096 BFGS: 7306 12:57:45 -69.453234 3.8677 BFGS: 7307 12:57:45 -69.716196 1.7367 BFGS: 7308 12:57:45 -69.462026 3.0866 BFGS: 7309 12:57:45 -69.716308 2.1096 BFGS: 7310 12:57:45 -69.453234 3.8677 BFGS: 7311 12:57:45 -69.716196 1.7367 BFGS: 7312 12:57:45 -69.462027 3.0866 BFGS: 7313 12:57:46 -69.716309 2.1096 BFGS: 7314 12:57:46 -69.453234 3.8677 BFGS: 7315 12:57:46 -69.716196 1.7367 BFGS: 7316 12:57:46 -69.462028 3.0866 BFGS: 7317 12:57:46 -69.716309 2.1096 BFGS: 7318 12:57:46 -69.453234 3.8677 BFGS: 7319 12:57:46 -69.716196 1.7367 BFGS: 7320 12:57:46 -69.462028 3.0866 BFGS: 7321 12:57:46 -69.716309 2.1096 BFGS: 7322 12:57:46 -69.453234 3.8677 BFGS: 7323 12:57:47 -69.716196 1.7367 BFGS: 7324 12:57:47 -69.462029 3.0866 BFGS: 7325 12:57:47 -69.716309 2.1096 BFGS: 7326 12:57:47 -69.453234 3.8677 BFGS: 7327 12:57:47 -69.716197 1.7367 BFGS: 7328 12:57:47 -69.462029 3.0866 BFGS: 7329 12:57:47 -69.716309 2.1096 BFGS: 7330 12:57:47 -69.453234 3.8677 BFGS: 7331 12:57:47 -69.716197 1.7367 BFGS: 7332 12:57:48 -69.462030 3.0866 BFGS: 7333 12:57:48 -69.716309 2.1096 BFGS: 7334 12:57:48 -69.453234 3.8677 BFGS: 7335 12:57:48 -69.716197 1.7367 BFGS: 7336 12:57:48 -69.462030 3.0866 BFGS: 7337 12:57:48 -69.716309 2.1096 BFGS: 7338 12:57:48 -69.453234 3.8677 BFGS: 7339 12:57:48 -69.716197 1.7367 BFGS: 7340 12:57:48 -69.462031 3.0866 BFGS: 7341 12:57:49 -69.716309 2.1096 BFGS: 7342 12:57:49 -69.453234 3.8677 BFGS: 7343 12:57:49 -69.716197 1.7367 BFGS: 7344 12:57:49 -69.462031 3.0866 BFGS: 7345 12:57:49 -69.716310 2.1096 BFGS: 7346 12:57:49 -69.453234 3.8677 BFGS: 7347 12:57:49 -69.716197 1.7367 BFGS: 7348 12:57:49 -69.462032 3.0866 BFGS: 7349 12:57:49 -69.716310 2.1096 BFGS: 7350 12:57:50 -69.453234 3.8677 BFGS: 7351 12:57:50 -69.716197 1.7367 BFGS: 7352 12:57:50 -69.462032 3.0866 BFGS: 7353 12:57:50 -69.716310 2.1096 BFGS: 7354 12:57:50 -69.453234 3.8678 BFGS: 7355 12:57:50 -69.716197 1.7367 BFGS: 7356 12:57:50 -69.462033 3.0866 BFGS: 7357 12:57:50 -69.716310 2.1096 BFGS: 7358 12:57:50 -69.453234 3.8678 BFGS: 7359 12:57:51 -69.716197 1.7367 BFGS: 7360 12:57:51 -69.462033 3.0866 BFGS: 7361 12:57:51 -69.716310 2.1096 BFGS: 7362 12:57:51 -69.453234 3.8678 BFGS: 7363 12:57:51 -69.716197 1.7367 BFGS: 7364 12:57:51 -69.462034 3.0866 BFGS: 7365 12:57:51 -69.716310 2.1096 BFGS: 7366 12:57:51 -69.453234 3.8678 BFGS: 7367 12:57:51 -69.716197 1.7367 BFGS: 7368 12:57:51 -69.462034 3.0865 BFGS: 7369 12:57:52 -69.716310 2.1096 BFGS: 7370 12:57:52 -69.453234 3.8678 BFGS: 7371 12:57:52 -69.716197 1.7367 BFGS: 7372 12:57:52 -69.462035 3.0865 BFGS: 7373 12:57:52 -69.716310 2.1096 BFGS: 7374 12:57:52 -69.453234 3.8678 BFGS: 7375 12:57:52 -69.716197 1.7367 BFGS: 7376 12:57:52 -69.462035 3.0865 BFGS: 7377 12:57:52 -69.716310 2.1096 BFGS: 7378 12:57:53 -69.453234 3.8678 BFGS: 7379 12:57:53 -69.716197 1.7367 BFGS: 7380 12:57:53 -69.462035 3.0865 BFGS: 7381 12:57:53 -69.716311 2.1096 BFGS: 7382 12:57:53 -69.453234 3.8678 BFGS: 7383 12:57:53 -69.716197 1.7367 BFGS: 7384 12:57:53 -69.462036 3.0865 BFGS: 7385 12:57:53 -69.716311 2.1096 BFGS: 7386 12:57:53 -69.453234 3.8678 BFGS: 7387 12:57:54 -69.716197 1.7367 BFGS: 7388 12:57:54 -69.462036 3.0865 BFGS: 7389 12:57:54 -69.716311 2.1096 BFGS: 7390 12:57:54 -69.453234 3.8678 BFGS: 7391 12:57:54 -69.716197 1.7367 BFGS: 7392 12:57:54 -69.462037 3.0865 BFGS: 7393 12:57:54 -69.716311 2.1096 BFGS: 7394 12:57:54 -69.453234 3.8678 BFGS: 7395 12:57:54 -69.716197 1.7367 BFGS: 7396 12:57:55 -69.462037 3.0865 BFGS: 7397 12:57:55 -69.716311 2.1096 BFGS: 7398 12:57:55 -69.453234 3.8678 BFGS: 7399 12:57:55 -69.716197 1.7367 BFGS: 7400 12:57:55 -69.462038 3.0865 BFGS: 7401 12:57:55 -69.716311 2.1096 BFGS: 7402 12:57:55 -69.453234 3.8678 BFGS: 7403 12:57:55 -69.716198 1.7367 BFGS: 7404 12:57:55 -69.462038 3.0865 BFGS: 7405 12:57:55 -69.716311 2.1096 BFGS: 7406 12:57:56 -69.453234 3.8678 BFGS: 7407 12:57:56 -69.716198 1.7366 BFGS: 7408 12:57:56 -69.462039 3.0865 BFGS: 7409 12:57:56 -69.716311 2.1096 BFGS: 7410 12:57:56 -69.453234 3.8678 BFGS: 7411 12:57:56 -69.716198 1.7366 BFGS: 7412 12:57:56 -69.462039 3.0865 BFGS: 7413 12:57:56 -69.716312 2.1096 BFGS: 7414 12:57:56 -69.453234 3.8678 BFGS: 7415 12:57:57 -69.716198 1.7366 BFGS: 7416 12:57:57 -69.462040 3.0865 BFGS: 7417 12:57:57 -69.716312 2.1096 BFGS: 7418 12:57:57 -69.453234 3.8678 BFGS: 7419 12:57:57 -69.716198 1.7366 BFGS: 7420 12:57:57 -69.462040 3.0865 BFGS: 7421 12:57:57 -69.716312 2.1096 BFGS: 7422 12:57:57 -69.453234 3.8678 BFGS: 7423 12:57:57 -69.716198 1.7366 BFGS: 7424 12:57:58 -69.462041 3.0865 BFGS: 7425 12:57:58 -69.716312 2.1096 BFGS: 7426 12:57:58 -69.453234 3.8678 BFGS: 7427 12:57:58 -69.716198 1.7366 BFGS: 7428 12:57:58 -69.462041 3.0865 BFGS: 7429 12:57:58 -69.716312 2.1096 BFGS: 7430 12:57:58 -69.453234 3.8678 BFGS: 7431 12:57:58 -69.716198 1.7366 BFGS: 7432 12:57:58 -69.462042 3.0865 BFGS: 7433 12:57:59 -69.716312 2.1096 BFGS: 7434 12:57:59 -69.453234 3.8678 BFGS: 7435 12:57:59 -69.716198 1.7366 BFGS: 7436 12:57:59 -69.462042 3.0865 BFGS: 7437 12:57:59 -69.716312 2.1096 BFGS: 7438 12:57:59 -69.453234 3.8678 BFGS: 7439 12:57:59 -69.716198 1.7366 BFGS: 7440 12:57:59 -69.462043 3.0865 BFGS: 7441 12:57:59 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13:02:16 -69.453234 3.8691 BFGS: 9831 13:02:16 -69.716220 1.7360 BFGS: 9832 13:02:17 -69.462253 3.0851 BFGS: 9833 13:02:17 -69.716364 2.1088 BFGS: 9834 13:02:17 -69.453234 3.8691 BFGS: 9835 13:02:17 -69.716220 1.7360 BFGS: 9836 13:02:17 -69.462254 3.0851 BFGS: 9837 13:02:17 -69.716364 2.1088 BFGS: 9838 13:02:17 -69.453234 3.8691 BFGS: 9839 13:02:17 -69.716220 1.7360 BFGS: 9840 13:02:17 -69.462254 3.0851 BFGS: 9841 13:02:17 -69.716364 2.1088 BFGS: 9842 13:02:18 -69.453234 3.8691 BFGS: 9843 13:02:18 -69.716220 1.7360 BFGS: 9844 13:02:18 -69.462254 3.0851 BFGS: 9845 13:02:18 -69.716364 2.1088 BFGS: 9846 13:02:18 -69.453234 3.8691 BFGS: 9847 13:02:18 -69.716220 1.7360 BFGS: 9848 13:02:18 -69.462254 3.0851 BFGS: 9849 13:02:18 -69.716364 2.1088 BFGS: 9850 13:02:18 -69.453234 3.8691 BFGS: 9851 13:02:19 -69.716220 1.7360 BFGS: 9852 13:02:19 -69.462255 3.0851 BFGS: 9853 13:02:19 -69.716364 2.1088 BFGS: 9854 13:02:19 -69.453234 3.8691 BFGS: 9855 13:02:19 -69.716220 1.7360 BFGS: 9856 13:02:19 -69.462255 3.0851 BFGS: 9857 13:02:19 -69.716364 2.1088 BFGS: 9858 13:02:19 -69.453234 3.8691 BFGS: 9859 13:02:19 -69.716220 1.7360 BFGS: 9860 13:02:19 -69.462255 3.0851 BFGS: 9861 13:02:20 -69.716364 2.1088 BFGS: 9862 13:02:20 -69.453234 3.8691 BFGS: 9863 13:02:20 -69.716220 1.7360 BFGS: 9864 13:02:20 -69.462255 3.0851 BFGS: 9865 13:02:20 -69.716364 2.1088 BFGS: 9866 13:02:20 -69.453234 3.8691 BFGS: 9867 13:02:20 -69.716220 1.7360 BFGS: 9868 13:02:20 -69.462256 3.0851 BFGS: 9869 13:02:20 -69.716364 2.1088 BFGS: 9870 13:02:21 -69.453234 3.8691 BFGS: 9871 13:02:21 -69.716220 1.7360 BFGS: 9872 13:02:21 -69.462256 3.0851 BFGS: 9873 13:02:21 -69.716365 2.1088 BFGS: 9874 13:02:21 -69.453234 3.8691 BFGS: 9875 13:02:21 -69.716220 1.7360 BFGS: 9876 13:02:21 -69.462256 3.0851 BFGS: 9877 13:02:21 -69.716365 2.1088 BFGS: 9878 13:02:21 -69.453234 3.8691 BFGS: 9879 13:02:21 -69.716220 1.7360 BFGS: 9880 13:02:22 -69.462256 3.0851 BFGS: 9881 13:02:22 -69.716365 2.1088 BFGS: 9882 13:02:22 -69.453234 3.8691 BFGS: 9883 13:02:22 -69.716220 1.7360 BFGS: 9884 13:02:22 -69.462257 3.0851 BFGS: 9885 13:02:22 -69.716365 2.1087 BFGS: 9886 13:02:22 -69.453234 3.8691 BFGS: 9887 13:02:22 -69.716221 1.7360 BFGS: 9888 13:02:22 -69.462257 3.0851 BFGS: 9889 13:02:23 -69.716365 2.1087 BFGS: 9890 13:02:23 -69.453234 3.8691 BFGS: 9891 13:02:23 -69.716221 1.7360 BFGS: 9892 13:02:23 -69.462257 3.0851 BFGS: 9893 13:02:23 -69.716365 2.1087 BFGS: 9894 13:02:23 -69.453234 3.8691 BFGS: 9895 13:02:23 -69.716221 1.7360 BFGS: 9896 13:02:23 -69.462257 3.0851 BFGS: 9897 13:02:23 -69.716365 2.1087 BFGS: 9898 13:02:23 -69.453234 3.8691 BFGS: 9899 13:02:24 -69.716221 1.7360 BFGS: 9900 13:02:24 -69.462258 3.0851 BFGS: 9901 13:02:24 -69.716365 2.1087 BFGS: 9902 13:02:24 -69.453234 3.8691 BFGS: 9903 13:02:24 -69.716221 1.7360 BFGS: 9904 13:02:24 -69.462258 3.0851 BFGS: 9905 13:02:24 -69.716365 2.1087 BFGS: 9906 13:02:24 -69.453234 3.8691 BFGS: 9907 13:02:24 -69.716221 1.7360 BFGS: 9908 13:02:25 -69.462258 3.0851 BFGS: 9909 13:02:25 -69.716365 2.1087 BFGS: 9910 13:02:25 -69.453234 3.8691 BFGS: 9911 13:02:25 -69.716221 1.7360 BFGS: 9912 13:02:25 -69.462258 3.0851 BFGS: 9913 13:02:25 -69.716365 2.1087 BFGS: 9914 13:02:25 -69.453234 3.8691 BFGS: 9915 13:02:25 -69.716221 1.7360 BFGS: 9916 13:02:25 -69.462259 3.0851 BFGS: 9917 13:02:25 -69.716365 2.1087 BFGS: 9918 13:02:26 -69.453234 3.8691 BFGS: 9919 13:02:26 -69.716221 1.7360 BFGS: 9920 13:02:26 -69.462259 3.0851 BFGS: 9921 13:02:26 -69.716365 2.1087 BFGS: 9922 13:02:26 -69.453234 3.8691 BFGS: 9923 13:02:26 -69.716221 1.7360 BFGS: 9924 13:02:26 -69.462259 3.0851 BFGS: 9925 13:02:26 -69.716365 2.1087 BFGS: 9926 13:02:26 -69.453234 3.8691 BFGS: 9927 13:02:27 -69.716221 1.7360 BFGS: 9928 13:02:27 -69.462259 3.0851 BFGS: 9929 13:02:27 -69.716365 2.1087 BFGS: 9930 13:02:27 -69.453234 3.8691 BFGS: 9931 13:02:27 -69.716221 1.7360 BFGS: 9932 13:02:27 -69.462260 3.0851 BFGS: 9933 13:02:27 -69.716365 2.1087 BFGS: 9934 13:02:27 -69.453234 3.8692 BFGS: 9935 13:02:27 -69.716221 1.7360 BFGS: 9936 13:02:27 -69.462260 3.0851 BFGS: 9937 13:02:28 -69.716366 2.1087 BFGS: 9938 13:02:28 -69.453234 3.8692 BFGS: 9939 13:02:28 -69.716221 1.7360 BFGS: 9940 13:02:28 -69.462260 3.0851 BFGS: 9941 13:02:28 -69.716366 2.1087 BFGS: 9942 13:02:28 -69.453234 3.8692 BFGS: 9943 13:02:28 -69.716221 1.7360 BFGS: 9944 13:02:28 -69.462260 3.0851 BFGS: 9945 13:02:28 -69.716366 2.1087 BFGS: 9946 13:02:29 -69.453234 3.8692 BFGS: 9947 13:02:29 -69.716221 1.7360 BFGS: 9948 13:02:29 -69.462261 3.0851 BFGS: 9949 13:02:29 -69.716366 2.1087 BFGS: 9950 13:02:29 -69.453234 3.8692 BFGS: 9951 13:02:29 -69.716221 1.7360 BFGS: 9952 13:02:29 -69.462261 3.0851 BFGS: 9953 13:02:29 -69.716366 2.1087 BFGS: 9954 13:02:29 -69.453234 3.8692 BFGS: 9955 13:02:30 -69.716221 1.7360 BFGS: 9956 13:02:30 -69.462261 3.0851 BFGS: 9957 13:02:30 -69.716366 2.1087 BFGS: 9958 13:02:30 -69.453234 3.8692 BFGS: 9959 13:02:30 -69.716221 1.7360 BFGS: 9960 13:02:30 -69.462261 3.0851 BFGS: 9961 13:02:30 -69.716366 2.1087 BFGS: 9962 13:02:30 -69.453234 3.8692 BFGS: 9963 13:02:30 -69.716221 1.7360 BFGS: 9964 13:02:30 -69.462262 3.0851 BFGS: 9965 13:02:31 -69.716366 2.1087 BFGS: 9966 13:02:31 -69.453234 3.8692 BFGS: 9967 13:02:31 -69.716221 1.7360 BFGS: 9968 13:02:31 -69.462262 3.0851 BFGS: 9969 13:02:31 -69.716366 2.1087 BFGS: 9970 13:02:31 -69.453234 3.8692 BFGS: 9971 13:02:31 -69.716221 1.7360 BFGS: 9972 13:02:31 -69.462262 3.0851 BFGS: 9973 13:02:31 -69.716366 2.1087 BFGS: 9974 13:02:32 -69.453234 3.8692 BFGS: 9975 13:02:32 -69.716221 1.7360 BFGS: 9976 13:02:32 -69.462262 3.0851 BFGS: 9977 13:02:32 -69.716366 2.1087 BFGS: 9978 13:02:32 -69.453234 3.8692 BFGS: 9979 13:02:32 -69.716221 1.7360 BFGS: 9980 13:02:32 -69.462263 3.0851 BFGS: 9981 13:02:32 -69.716366 2.1087 BFGS: 9982 13:02:32 -69.453234 3.8692 BFGS: 9983 13:02:32 -69.716221 1.7360 BFGS: 9984 13:02:33 -69.462263 3.0851 BFGS: 9985 13:02:33 -69.716366 2.1087 BFGS: 9986 13:02:33 -69.453234 3.8692 BFGS: 9987 13:02:33 -69.716221 1.7360 BFGS: 9988 13:02:33 -69.462263 3.0851 BFGS: 9989 13:02:33 -69.716366 2.1087 BFGS: 9990 13:02:33 -69.453234 3.8692 BFGS: 9991 13:02:33 -69.716221 1.7360 BFGS: 9992 13:02:33 -69.462263 3.0851 BFGS: 9993 13:02:34 -69.716366 2.1087 BFGS: 9994 13:02:34 -69.453234 3.8692 BFGS: 9995 13:02:34 -69.716221 1.7360 BFGS: 9996 13:02:34 -69.462264 3.0851 BFGS: 9997 13:02:34 -69.716366 2.1087 BFGS: 9998 13:02:34 -69.453234 3.8692 BFGS: 9999 13:02:34 -69.716221 1.7360 BFGS: 10000 13:02:34 -69.462264 3.0851 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 3.02821774742761 eV/Angstrom Maximum stress component: 0.2514104193710222 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 0.00000000e+00 9.51315676e-02] [0.00000000e+00 2.60004684e-30 5.95131568e-01] [4.60762847e-31 7.30206143e-31 9.04868432e-01] [1.07646074e-30 4.64373769e-31 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([[2.5667972437693907, 1.5067123928766172e-16, 1.129274547056038e-34], [-1.2833986218846953, 2.222911619468171, 2.191986385254756e-34], [6.13693438227136e-35, 1.4033851133642772e-33, 8.462634671129491]]) forces = [[-2.19358483e-29 2.98102760e-29 -2.29861613e+00] [ 2.80103530e-29 -1.11063123e-29 -2.29861613e+00] [ 1.55238360e-29 -2.68876626e-29 2.29861613e+00] [-2.22732893e-29 7.01465348e-30 2.29861613e+00] [-3.34099809e-29 2.04577920e-29 -3.02821775e+00] [ 4.89337563e-29 -5.85024870e-31 -3.02821775e+00] [ 3.54348269e-29 -3.44863366e-29 3.02821775e+00] [-2.98664565e-29 1.43213081e-29 3.02821775e+00]] stress = [ 2.51410419e-01 2.51410419e-01 2.32644287e-01 7.02931090e-33 1.77625282e-34 -6.63501849e-17] energy per atom = -8.508036764990525 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0