element(s): ['C', 'N'] AFLOW prototype label: AB2_oC12_36_a_2a Parameter names: ['a', 'b/a', 'c/a', 'y1', 'z1', 'y2', 'z2', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.481', '2.5961306', '1.8476421', '0.88747', '0.22046', '0.92442', '0.5479', '0.73734', '0.67879'] model name: Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'N', 'N'] representative atom coordinates = [[0. 0.88747 0.22046] [0. 0.92442 0.5479 ] [0. 0.73734 0.67879]] spacegroup = 36 cell = [[2.481, 0, 0], [0, 6.441, 0], [0, 0, 4.584]] ========================================= Step Time Energy fmax BFGS: 0 19:56:50 -55.652557 10.363580 BFGS: 1 19:56:50 -58.012995 10.911746 BFGS: 2 19:56:50 -59.657635 6.665727 BFGS: 3 19:56:50 -60.892113 4.767243 BFGS: 4 19:56:50 -61.917195 3.994815 BFGS: 5 19:56:50 -62.533558 3.898653 BFGS: 6 19:56:50 -62.786089 2.551044 BFGS: 7 19:56:50 -62.964002 1.502883 BFGS: 8 19:56:50 -63.101351 1.204240 BFGS: 9 19:56:50 -63.219426 0.793557 BFGS: 10 19:56:50 -63.316871 0.715674 BFGS: 11 19:56:50 -63.388047 0.644788 BFGS: 12 19:56:50 -63.433295 0.539989 BFGS: 13 19:56:50 -63.450856 0.498148 BFGS: 14 19:56:50 -63.463187 0.547816 BFGS: 15 19:56:50 -63.486968 0.492989 BFGS: 16 19:56:51 -63.501736 0.288470 BFGS: 17 19:56:51 -63.514444 0.393658 BFGS: 18 19:56:51 -63.519227 0.269834 BFGS: 19 19:56:51 -63.522056 0.173702 BFGS: 20 19:56:51 -63.523584 0.123987 BFGS: 21 19:56:51 -63.524901 0.119420 BFGS: 22 19:56:51 -63.527322 0.100940 BFGS: 23 19:56:51 -63.525951 0.095588 BFGS: 24 19:56:51 -63.525198 0.111771 BFGS: 25 19:56:51 -63.526118 0.054828 BFGS: 26 19:56:51 -63.526155 0.040852 BFGS: 27 19:56:51 -63.526236 0.035088 BFGS: 28 19:56:51 -63.526256 0.032272 BFGS: 29 19:56:51 -63.527954 0.040886 BFGS: 30 19:56:51 -63.527551 0.074796 BFGS: 31 19:56:51 -63.527620 0.030404 BFGS: 32 19:56:52 -63.527656 0.024709 BFGS: 33 19:56:52 -63.527679 0.029175 BFGS: 34 19:56:52 -63.527681 0.028842 BFGS: 35 19:56:52 -63.527699 0.025253 BFGS: 36 19:56:52 -63.527709 0.022836 BFGS: 37 19:56:52 -63.527713 0.021744 BFGS: 38 19:56:52 -63.527715 0.021802 BFGS: 39 19:56:52 -63.527715 0.021911 BFGS: 40 19:56:52 -63.527716 0.022051 BFGS: 41 19:56:52 -63.527716 0.022053 BFGS: 42 19:56:52 -63.527717 0.022047 BFGS: 43 19:56:53 -63.527717 0.022016 BFGS: 44 19:56:53 -63.527719 0.021900 BFGS: 45 19:56:53 -63.527722 0.021639 BFGS: 46 19:56:53 -63.527729 0.020969 BFGS: 47 19:56:54 -63.527746 0.024285 BFGS: 48 19:56:54 -63.527780 0.034730 BFGS: 49 19:56:54 -63.529697 0.038361 BFGS: 50 19:56:55 -63.532541 0.032710 BFGS: 51 19:56:55 -63.536297 0.019036 BFGS: 52 19:56:56 -63.539078 0.184471 BFGS: 53 19:56:56 -63.536801 0.011577 BFGS: 54 19:56:56 -63.536796 0.010761 BFGS: 55 19:56:57 -63.536803 0.010379 BFGS: 56 19:56:57 -63.536798 0.011295 BFGS: 57 19:56:57 -63.536817 0.007152 BFGS: 58 19:56:57 -63.536810 0.009549 BFGS: 59 19:56:58 -63.536835 0.003779 BFGS: 60 19:56:58 -63.536822 0.007152 BFGS: 61 19:56:59 -63.536841 0.002087 BFGS: 62 19:56:59 -63.536842 0.001966 BFGS: 63 19:57:00 -63.536826 0.006545 BFGS: 64 19:57:00 -63.536842 0.001858 BFGS: 65 19:57:01 -63.536842 0.001803 BFGS: 66 19:57:01 -63.536821 0.007951 BFGS: 67 19:57:02 -63.536825 0.006651 BFGS: 68 19:57:02 -63.538780 0.016215 BFGS: 69 19:57:02 -63.542154 0.035380 BFGS: 70 19:57:03 -63.543383 0.138565 BFGS: 71 19:57:03 -63.542112 0.021331 BFGS: 72 19:57:03 -63.542164 0.075752 BFGS: 73 19:57:04 -63.542150 0.026680 BFGS: 74 19:57:04 -63.542134 0.022048 BFGS: 75 19:57:04 -63.542904 0.022058 BFGS: 76 19:57:05 -63.542744 0.130084 BFGS: 77 19:57:05 -63.542727 0.092868 BFGS: 78 19:57:05 -63.537703 0.071965 BFGS: 79 19:57:05 -63.538577 0.048998 BFGS: 80 19:57:05 -63.542012 0.040595 BFGS: 81 19:57:06 -63.540428 0.167614 BFGS: 82 19:57:06 -63.542029 0.032784 BFGS: 83 19:57:07 -63.542127 0.028648 BFGS: 84 19:57:07 -63.541997 0.148908 BFGS: 85 19:57:08 -63.542618 0.095235 BFGS: 86 19:57:08 -63.535378 0.039315 BFGS: 87 19:57:08 -63.535606 0.037430 BFGS: 88 19:57:08 -63.541968 0.034830 BFGS: 89 19:57:08 -63.536798 0.265921 BFGS: 90 19:57:08 -63.542066 0.117016 BFGS: 91 19:57:08 -63.527069 0.099813 BFGS: 92 19:57:09 -63.529901 0.076539 BFGS: 93 19:57:09 -63.535548 0.033333 BFGS: 94 19:57:09 -63.538980 0.263589 BFGS: 95 19:57:09 -63.536338 0.017809 BFGS: 96 19:57:10 -63.536371 0.011091 BFGS: 97 19:57:10 -63.536817 0.006818 BFGS: 98 19:57:10 -63.536838 0.003231 BFGS: 99 19:57:11 -63.536818 0.008117 BFGS: 100 19:57:11 -63.536824 0.007386 BFGS: 101 19:57:12 -63.536819 0.006819 BFGS: 102 19:57:12 -63.536834 0.003892 BFGS: 103 19:57:13 -63.536819 0.007969 BFGS: 104 19:57:13 -63.536841 0.002310 BFGS: 105 19:57:14 -63.536824 0.006854 BFGS: 106 19:57:14 -63.536841 0.002013 BFGS: 107 19:57:15 -63.536825 0.006644 BFGS: 108 19:57:15 -63.536825 0.006584 BFGS: 109 19:57:16 -63.538784 0.015771 BFGS: 110 19:57:16 -63.542025 0.033584 BFGS: 111 19:57:17 -63.542707 0.145631 BFGS: 112 19:57:17 -63.542689 0.100763 BFGS: 113 19:57:18 -63.536312 0.035330 BFGS: 114 19:57:18 -63.536350 0.018754 BFGS: 115 19:57:18 -63.536809 0.019225 BFGS: 116 19:57:19 -63.536825 0.013965 BFGS: 117 19:57:19 -63.536373 0.009394 BFGS: 118 19:57:20 -63.536824 0.005590 BFGS: 119 19:57:20 -63.536820 0.010844 BFGS: 120 19:57:21 -63.536833 0.005195 BFGS: 121 19:57:21 -63.536820 0.008482 BFGS: 122 19:57:22 -63.536839 0.002802 BFGS: 123 19:57:22 -63.536841 0.002035 BFGS: 124 19:57:23 -63.536819 0.008366 BFGS: 125 19:57:23 -63.536826 0.006561 BFGS: 126 19:57:24 -63.538783 0.016684 BFGS: 127 19:57:24 -63.542004 0.033133 BFGS: 128 19:57:24 -63.543224 0.135796 BFGS: 129 19:57:25 -63.542854 0.037754 BFGS: 130 19:57:25 -63.542138 0.083090 BFGS: 131 19:57:26 -63.542144 0.026239 BFGS: 132 19:57:27 -63.542880 0.029772 BFGS: 133 19:57:27 -63.542896 0.024556 BFGS: 134 19:57:28 -63.542475 0.099767 BFGS: 135 19:57:28 -63.542872 0.084085 BFGS: 136 19:57:29 -63.541791 0.061466 BFGS: 137 19:57:29 -63.542053 0.036046 BFGS: 138 19:57:29 -63.541862 0.118417 BFGS: 139 19:57:30 -63.542209 0.031306 BFGS: 140 19:57:30 -63.542124 0.028353 BFGS: 141 19:57:30 -63.542539 0.131380 BFGS: 142 19:57:31 -63.542861 0.084324 BFGS: 143 19:57:32 -63.537730 0.074179 BFGS: 144 19:57:32 -63.538562 0.055712 BFGS: 145 19:57:33 -63.542085 0.037826 BFGS: 146 19:57:33 -63.539811 0.187669 BFGS: 147 19:57:34 -63.542072 0.032476 BFGS: 148 19:57:34 -63.541966 0.100969 BFGS: 149 19:57:35 -63.542164 0.027978 BFGS: 150 19:57:35 -63.542895 0.078681 BFGS: 151 19:57:36 -63.542896 0.025328 BFGS: 152 19:57:36 -63.542905 0.021776 BFGS: 153 19:57:37 -63.542155 0.022921 BFGS: 154 19:57:37 -63.542857 0.084699 BFGS: 155 19:57:38 -63.542903 0.075599 BFGS: 156 19:57:38 -63.542074 0.031232 BFGS: 157 19:57:38 -63.542109 0.023786 BFGS: 158 19:57:39 -63.542059 0.085648 BFGS: 159 19:57:40 -63.542128 0.023291 BFGS: 160 19:57:40 -63.542139 0.023019 BFGS: 161 19:57:40 -63.542421 0.099200 BFGS: 162 19:57:41 -63.542902 0.076360 BFGS: 163 19:57:42 -63.541991 0.046978 BFGS: 164 19:57:42 -63.542169 0.031900 BFGS: 165 19:57:43 -63.542247 0.102126 BFGS: 166 19:57:43 -63.542097 0.028095 BFGS: 167 19:57:44 -63.542142 0.026564 BFGS: 168 19:57:44 -63.541753 0.111139 BFGS: 169 19:57:45 -63.542874 0.083709 BFGS: 170 19:57:45 -63.541425 0.066000 BFGS: 171 19:57:45 -63.541924 0.041666 BFGS: 172 19:57:46 -63.541528 0.113451 BFGS: 173 19:57:46 -63.542168 0.032390 BFGS: 174 19:57:47 -63.542110 0.027829 BFGS: 175 19:57:47 -63.542982 0.129146 BFGS: 176 19:57:48 -63.542168 0.025758 BFGS: 177 19:57:49 -63.542776 0.090650 BFGS: 178 19:57:49 -63.542908 0.021177 BFGS: 179 19:57:50 -63.542888 0.081147 BFGS: 180 19:57:50 -63.542906 0.072782 BFGS: 181 19:57:51 -63.542137 0.026973 BFGS: 182 19:57:51 -63.542127 0.023274 BFGS: 183 19:57:52 -63.542465 0.099656 BFGS: 184 19:57:52 -63.542151 0.022496 BFGS: 185 19:57:53 -63.542859 0.085257 BFGS: 186 19:57:54 -63.542907 0.021420 BFGS: 187 19:57:54 -63.542906 0.073571 BFGS: 188 19:57:55 -63.542908 0.021441 BFGS: 189 19:57:56 -63.542908 0.021432 BFGS: 190 19:57:56 -63.543682 0.108922 BFGS: 191 19:57:57 -63.542846 0.086169 BFGS: 192 19:57:57 -63.541912 0.044928 BFGS: 193 19:57:58 -63.542138 0.031536 BFGS: 194 19:57:59 -63.543538 0.109116 BFGS: 195 19:57:59 -63.542079 0.028802 BFGS: 196 19:58:00 -63.542128 0.027523 BFGS: 197 19:58:01 -63.543103 0.124212 BFGS: 198 19:58:01 -63.542903 0.026163 BFGS: 199 19:58:01 -63.542791 0.089234 BFGS: 200 19:58:02 -63.542897 0.077754 BFGS: 201 19:58:03 -63.542157 0.031729 BFGS: 202 19:58:04 -63.542058 0.029147 BFGS: 203 19:58:04 -63.543377 0.122159 BFGS: 204 19:58:05 -63.542126 0.027300 BFGS: 205 19:58:05 -63.542145 0.025809 BFGS: 206 19:58:06 -63.543279 0.122972 BFGS: 207 19:58:06 -63.542810 0.088499 BFGS: 208 19:58:07 -63.537910 0.076387 BFGS: 209 19:58:07 -63.541827 0.039693 BFGS: 210 19:58:07 -63.539216 0.249845 BFGS: 211 19:58:08 -63.542014 0.034431 BFGS: 212 19:58:08 -63.542102 0.085936 BFGS: 213 19:58:08 -63.542067 0.029072 BFGS: 214 19:58:09 -63.542092 0.029859 BFGS: 215 19:58:09 -63.541982 0.107196 BFGS: 216 19:58:09 -63.542111 0.029207 BFGS: 217 19:58:09 -63.542122 0.029789 BFGS: 218 19:58:10 -63.541952 0.105431 BFGS: 219 19:58:10 -63.542133 0.029236 BFGS: 220 19:58:11 -63.542139 0.029367 BFGS: 221 19:58:11 -63.542464 0.112816 BFGS: 222 19:58:12 -63.542151 0.028641 BFGS: 223 19:58:12 -63.542138 0.081845 BFGS: 224 19:58:13 -63.542153 0.028484 BFGS: 225 19:58:13 -63.542154 0.028459 BFGS: 226 19:58:13 -63.542439 0.113199 BFGS: 227 19:58:14 -63.542122 0.084623 BFGS: 228 19:58:14 -63.541912 0.071574 BFGS: 229 19:58:15 -63.542149 0.034318 BFGS: 230 19:58:15 -63.541858 0.121685 BFGS: 231 19:58:16 -63.542060 0.029891 BFGS: 232 19:58:16 -63.542097 0.030459 BFGS: 233 19:58:16 -63.541805 0.122060 BFGS: 234 19:58:17 -63.542120 0.030116 BFGS: 235 19:58:17 -63.542136 0.030227 BFGS: 236 19:58:17 -63.542136 0.130354 BFGS: 237 19:58:18 -63.542158 0.029429 BFGS: 238 19:58:18 -63.542086 0.086536 BFGS: 239 19:58:19 -63.542159 0.071576 BFGS: 240 19:58:19 -63.542093 0.027347 BFGS: 241 19:58:20 -63.542116 0.028099 BFGS: 242 19:58:20 -63.541897 0.112199 BFGS: 243 19:58:21 -63.542134 0.028419 BFGS: 244 19:58:21 -63.542146 0.028884 BFGS: 245 19:58:21 -63.542546 0.114026 BFGS: 246 19:58:21 -63.542156 0.028778 BFGS: 247 19:58:21 -63.542150 0.076692 BFGS: 248 19:58:21 -63.542158 0.028618 BFGS: 249 19:58:21 -63.542159 0.028539 BFGS: 250 19:58:21 -63.542165 0.122369 BFGS: 251 19:58:21 -63.542098 0.087627 BFGS: 252 19:58:21 -63.541597 0.072316 BFGS: 253 19:58:22 -63.542011 0.047014 BFGS: 254 19:58:22 -63.542097 0.126208 BFGS: 255 19:58:22 -63.542188 0.033009 BFGS: 256 19:58:23 -63.542096 0.029294 BFGS: 257 19:58:23 -63.542296 0.117282 BFGS: 258 19:58:24 -63.542130 0.028019 BFGS: 259 19:58:24 -63.542152 0.027387 BFGS: 260 19:58:24 -63.541859 0.121460 BFGS: 261 19:58:25 -63.542104 0.087901 BFGS: 262 19:58:25 -63.541416 0.070687 BFGS: 263 19:58:25 -63.541940 0.043272 BFGS: 264 19:58:26 -63.541862 0.116266 BFGS: 265 19:58:27 -63.542161 0.031656 BFGS: 266 19:58:27 -63.542090 0.029267 BFGS: 267 19:58:28 -63.542207 0.109066 BFGS: 268 19:58:29 -63.542130 0.028460 BFGS: 269 19:58:29 -63.542154 0.028147 BFGS: 270 19:58:30 -63.541972 0.114598 BFGS: 271 19:58:30 -63.542109 0.085587 BFGS: 272 19:58:31 -63.541492 0.081376 BFGS: 273 19:58:32 -63.541976 0.046756 BFGS: 274 19:58:32 -63.542051 0.121427 BFGS: 275 19:58:33 -63.542174 0.031155 BFGS: 276 19:58:34 -63.542092 0.029485 BFGS: 277 19:58:34 -63.542325 0.111154 BFGS: 278 19:58:35 -63.542127 0.028877 BFGS: 279 19:58:35 -63.542149 0.028666 BFGS: 280 19:58:36 -63.542119 0.115522 BFGS: 281 19:58:36 -63.542141 0.080623 BFGS: 282 19:58:36 -63.541696 0.069519 BFGS: 283 19:58:37 -63.542047 0.041216 BFGS: 284 19:58:38 -63.542146 0.118616 BFGS: 285 19:58:38 -63.542203 0.030901 BFGS: 286 19:58:39 -63.542103 0.029375 BFGS: 287 19:58:39 -63.542399 0.108139 BFGS: 288 19:58:40 -63.542132 0.028864 BFGS: 289 19:58:40 -63.542150 0.028674 BFGS: 290 19:58:41 -63.542194 0.112402 BFGS: 291 19:58:41 -63.542145 0.079876 BFGS: 292 19:58:42 -63.541767 0.063387 BFGS: 293 19:58:43 -63.542075 0.038536 BFGS: 294 19:58:43 -63.542200 0.114972 BFGS: 295 19:58:44 -63.542047 0.029408 BFGS: 296 19:58:45 -63.542105 0.029112 BFGS: 297 19:58:45 -63.542259 0.112098 BFGS: 298 19:58:46 -63.542136 0.028735 BFGS: 299 19:58:47 -63.542154 0.028578 BFGS: 300 19:58:47 -63.542244 0.110512 BFGS: 301 19:58:47 -63.542131 0.082631 BFGS: 302 19:58:48 -63.541716 0.065423 BFGS: 303 19:58:48 -63.542060 0.039550 BFGS: 304 19:58:49 -63.542244 0.112154 BFGS: 305 19:58:49 -63.542208 0.030790 BFGS: 306 19:58:50 -63.542103 0.029231 BFGS: 307 19:58:50 -63.542467 0.104212 BFGS: 308 19:58:51 -63.542130 0.028811 BFGS: 309 19:58:52 -63.542146 0.028620 BFGS: 310 19:58:52 -63.542278 0.110399 BFGS: 311 19:58:53 -63.542160 0.028384 BFGS: 312 19:58:53 -63.542103 0.086349 BFGS: 313 19:58:53 -63.542157 0.074801 BFGS: 314 19:58:53 -63.542091 0.028820 BFGS: 315 19:58:53 -63.542111 0.028707 BFGS: 316 19:58:53 -63.542286 0.109638 BFGS: 317 19:58:54 -63.542139 0.028456 BFGS: 318 19:58:54 -63.542156 0.028330 BFGS: 319 19:58:55 -63.542275 0.110675 BFGS: 320 19:58:56 -63.542130 0.083468 BFGS: 321 19:58:56 -63.541724 0.064667 BFGS: 322 19:58:57 -63.542065 0.039477 BFGS: 323 19:58:57 -63.542269 0.110121 BFGS: 324 19:58:58 -63.542210 0.030649 BFGS: 325 19:58:59 -63.542104 0.029100 BFGS: 326 19:58:59 -63.542483 0.104237 BFGS: 327 19:59:00 -63.542130 0.028724 BFGS: 328 19:59:00 -63.542147 0.028541 BFGS: 329 19:59:01 -63.542300 0.110155 BFGS: 330 19:59:01 -63.542160 0.028344 BFGS: 331 19:59:02 -63.542108 0.085907 BFGS: 332 19:59:02 -63.542160 0.070540 BFGS: 333 19:59:03 -63.542115 0.028686 BFGS: 334 19:59:03 -63.542128 0.028585 BFGS: 335 19:59:04 -63.542281 0.111063 BFGS: 336 19:59:05 -63.542149 0.028338 BFGS: 337 19:59:05 -63.542159 0.072965 BFGS: 338 19:59:05 -63.542152 0.028312 BFGS: 339 19:59:06 -63.542154 0.028279 BFGS: 340 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20:42:26 -63.536829 0.015051 BFGS: 6579 20:42:26 -63.536361 0.010823 BFGS: 6580 20:42:26 -63.536811 0.010714 BFGS: 6581 20:42:27 -63.536817 0.018610 BFGS: 6582 20:42:27 -63.536829 0.015051 BFGS: 6583 20:42:28 -63.536361 0.010823 BFGS: 6584 20:42:28 -63.536811 0.010713 BFGS: 6585 20:42:28 -63.536817 0.018610 BFGS: 6586 20:42:29 -63.536829 0.015050 BFGS: 6587 20:42:29 -63.536361 0.010823 BFGS: 6588 20:42:30 -63.536811 0.010713 BFGS: 6589 20:42:30 -63.536817 0.018609 BFGS: 6590 20:42:30 -63.536829 0.015050 BFGS: 6591 20:42:31 -63.536361 0.010823 BFGS: 6592 20:42:31 -63.536811 0.010713 BFGS: 6593 20:42:32 -63.536817 0.018609 BFGS: 6594 20:42:32 -63.536829 0.015050 BFGS: 6595 20:42:33 -63.536361 0.010822 BFGS: 6596 20:42:33 -63.536811 0.010713 BFGS: 6597 20:42:33 -63.536817 0.018609 BFGS: 6598 20:42:34 -63.536829 0.015049 BFGS: 6599 20:42:34 -63.536361 0.010822 BFGS: 6600 20:42:34 -63.536811 0.010713 BFGS: 6601 20:42:34 -63.536817 0.018609 BFGS: 6602 20:42:34 -63.536829 0.015049 BFGS: 6603 20:42:34 -63.536361 0.010822 BFGS: 6604 20:42:34 -63.536811 0.010712 BFGS: 6605 20:42:35 -63.536817 0.018608 BFGS: 6606 20:42:35 -63.536829 0.015049 BFGS: 6607 20:42:35 -63.536361 0.010822 BFGS: 6608 20:42:35 -63.536811 0.010712 BFGS: 6609 20:42:35 -63.536817 0.018608 BFGS: 6610 20:42:36 -63.536829 0.015048 BFGS: 6611 20:42:36 -63.536361 0.010822 BFGS: 6612 20:42:36 -63.536811 0.010712 BFGS: 6613 20:42:37 -63.536817 0.018608 BFGS: 6614 20:42:37 -63.536829 0.015048 BFGS: 6615 20:42:37 -63.536361 0.010821 BFGS: 6616 20:42:38 -63.536811 0.010712 BFGS: 6617 20:42:38 -63.536817 0.018607 BFGS: 6618 20:42:38 -63.536829 0.015048 BFGS: 6619 20:42:39 -63.536361 0.010821 BFGS: 6620 20:42:39 -63.536811 0.010711 BFGS: 6621 20:42:40 -63.536817 0.018607 BFGS: 6622 20:42:40 -63.536829 0.015048 BFGS: 6623 20:42:41 -63.536361 0.010821 BFGS: 6624 20:42:41 -63.536811 0.010711 BFGS: 6625 20:42:42 -63.536817 0.018607 BFGS: 6626 20:42:42 -63.536829 0.015047 BFGS: 6627 20:42:42 -63.536361 0.010821 BFGS: 6628 20:42:43 -63.536811 0.010711 BFGS: 6629 20:42:43 -63.536817 0.018606 BFGS: 6630 20:42:43 -63.536829 0.015047 BFGS: 6631 20:42:44 -63.536361 0.010821 BFGS: 6632 20:42:44 -63.536811 0.010711 BFGS: 6633 20:42:45 -63.536817 0.018606 BFGS: 6634 20:42:45 -63.536829 0.015047 BFGS: 6635 20:42:46 -63.536361 0.010820 BFGS: 6636 20:42:46 -63.536811 0.010711 BFGS: 6637 20:42:47 -63.536817 0.018606 BFGS: 6638 20:42:47 -63.536829 0.015046 BFGS: 6639 20:42:47 -63.536361 0.010820 BFGS: 6640 20:42:48 -63.536811 0.010710 BFGS: 6641 20:42:48 -63.536817 0.018605 BFGS: 6642 20:42:49 -63.536829 0.015046 BFGS: 6643 20:42:49 -63.536361 0.010820 BFGS: 6644 20:42:49 -63.536811 0.010710 BFGS: 6645 20:42:49 -63.536817 0.018605 BFGS: 6646 20:42:50 -63.536829 0.015046 BFGS: 6647 20:42:50 -63.536361 0.010820 BFGS: 6648 20:42:50 -63.536811 0.010710 BFGS: 6649 20:42:51 -63.536817 0.018605 BFGS: 6650 20:42:51 -63.536829 0.015045 BFGS: 6651 20:42:51 -63.536361 0.010819 BFGS: 6652 20:42:51 -63.536811 0.010710 BFGS: 6653 20:42:52 -63.536817 0.018605 BFGS: 6654 20:42:52 -63.536829 0.015045 BFGS: 6655 20:42:52 -63.536361 0.010819 BFGS: 6656 20:42:53 -63.536811 0.010710 BFGS: 6657 20:42:53 -63.536817 0.018604 BFGS: 6658 20:42:53 -63.536829 0.015045 BFGS: 6659 20:42:53 -63.536361 0.010819 BFGS: 6660 20:42:53 -63.536811 0.010709 BFGS: 6661 20:42:53 -63.536817 0.018604 BFGS: 6662 20:42:54 -63.536829 0.015045 BFGS: 6663 20:42:54 -63.536361 0.010819 BFGS: 6664 20:42:54 -63.536811 0.010709 BFGS: 6665 20:42:54 -63.536817 0.018604 BFGS: 6666 20:42:55 -63.536829 0.015044 BFGS: 6667 20:42:55 -63.536361 0.010819 BFGS: 6668 20:42:56 -63.536811 0.010709 BFGS: 6669 20:42:56 -63.536817 0.018603 BFGS: 6670 20:42:56 -63.536829 0.015044 BFGS: 6671 20:42:57 -63.536361 0.010818 BFGS: 6672 20:42:57 -63.536811 0.010709 BFGS: 6673 20:42:58 -63.536817 0.018603 BFGS: 6674 20:42:58 -63.536829 0.015044 BFGS: 6675 20:42:58 -63.536361 0.010818 BFGS: 6676 20:42:59 -63.536811 0.010708 BFGS: 6677 20:42:59 -63.536817 0.018603 BFGS: 6678 20:42:59 -63.536829 0.015043 BFGS: 6679 20:43:00 -63.536361 0.010818 BFGS: 6680 20:43:00 -63.536811 0.010708 BFGS: 6681 20:43:00 -63.536817 0.018602 BFGS: 6682 20:43:00 -63.536829 0.015043 BFGS: 6683 20:43:00 -63.536361 0.010818 BFGS: 6684 20:43:01 -63.536811 0.010708 BFGS: 6685 20:43:01 -63.536817 0.018602 BFGS: 6686 20:43:01 -63.536829 0.015043 BFGS: 6687 20:43:02 -63.536361 0.010818 BFGS: 6688 20:43:02 -63.536811 0.010708 BFGS: 6689 20:43:02 -63.536817 0.018602 BFGS: 6690 20:43:03 -63.536829 0.015042 BFGS: 6691 20:43:03 -63.536361 0.010817 BFGS: 6692 20:43:03 -63.536811 0.010708 BFGS: 6693 20:43:04 -63.536817 0.018601 BFGS: 6694 20:43:04 -63.536829 0.015042 BFGS: 6695 20:43:04 -63.536361 0.010817 BFGS: 6696 20:43:04 -63.536811 0.010707 BFGS: 6697 20:43:05 -63.536817 0.018601 BFGS: 6698 20:43:05 -63.536829 0.015042 BFGS: 6699 20:43:05 -63.536361 0.010817 BFGS: 6700 20:43:06 -63.536811 0.010707 BFGS: 6701 20:43:06 -63.536817 0.018601 BFGS: 6702 20:43:06 -63.536829 0.015042 BFGS: 6703 20:43:07 -63.536361 0.010817 BFGS: 6704 20:43:07 -63.536811 0.010707 BFGS: 6705 20:43:08 -63.536817 0.018601 BFGS: 6706 20:43:08 -63.536829 0.015041 BFGS: 6707 20:43:08 -63.536361 0.010816 BFGS: 6708 20:43:09 -63.536811 0.010707 BFGS: 6709 20:43:09 -63.536817 0.018600 BFGS: 6710 20:43:09 -63.536829 0.015041 BFGS: 6711 20:43:09 -63.536361 0.010816 BFGS: 6712 20:43:10 -63.536811 0.010706 BFGS: 6713 20:43:10 -63.536817 0.018600 BFGS: 6714 20:43:11 -63.536829 0.015041 BFGS: 6715 20:43:11 -63.536361 0.010816 BFGS: 6716 20:43:11 -63.536811 0.010706 BFGS: 6717 20:43:11 -63.536817 0.018600 BFGS: 6718 20:43:12 -63.536829 0.015040 BFGS: 6719 20:43:12 -63.536361 0.010816 BFGS: 6720 20:43:12 -63.536811 0.010706 BFGS: 6721 20:43:13 -63.536817 0.018599 BFGS: 6722 20:43:13 -63.536829 0.015040 BFGS: 6723 20:43:13 -63.536361 0.010816 BFGS: 6724 20:43:13 -63.536811 0.010706 BFGS: 6725 20:43:13 -63.536817 0.018599 BFGS: 6726 20:43:13 -63.536829 0.015040 BFGS: 6727 20:43:13 -63.536361 0.010815 BFGS: 6728 20:43:14 -63.536811 0.010706 BFGS: 6729 20:43:14 -63.536817 0.018599 BFGS: 6730 20:43:14 -63.536829 0.015039 BFGS: 6731 20:43:14 -63.536361 0.010815 BFGS: 6732 20:43:14 -63.536811 0.010705 BFGS: 6733 20:43:14 -63.536817 0.018598 BFGS: 6734 20:43:15 -63.536829 0.015039 BFGS: 6735 20:43:15 -63.536361 0.010815 BFGS: 6736 20:43:15 -63.536811 0.010705 BFGS: 6737 20:43:15 -63.536817 0.018598 BFGS: 6738 20:43:15 -63.536829 0.015039 BFGS: 6739 20:43:16 -63.536361 0.010815 BFGS: 6740 20:43:16 -63.536811 0.010705 BFGS: 6741 20:43:17 -63.536817 0.018598 BFGS: 6742 20:43:17 -63.536829 0.015039 BFGS: 6743 20:43:17 -63.536361 0.010814 BFGS: 6744 20:43:18 -63.536811 0.010705 BFGS: 6745 20:43:18 -63.536817 0.018598 BFGS: 6746 20:43:18 -63.536829 0.015038 BFGS: 6747 20:43:19 -63.536361 0.010814 BFGS: 6748 20:43:19 -63.536811 0.010705 BFGS: 6749 20:43:19 -63.536817 0.018597 BFGS: 6750 20:43:19 -63.536829 0.015038 BFGS: 6751 20:43:19 -63.536361 0.010814 BFGS: 6752 20:43:19 -63.536811 0.010704 BFGS: 6753 20:43:20 -63.536817 0.018597 BFGS: 6754 20:43:20 -63.536829 0.015038 BFGS: 6755 20:43:20 -63.536361 0.010814 BFGS: 6756 20:43:20 -63.536811 0.010704 BFGS: 6757 20:43:20 -63.536817 0.018597 BFGS: 6758 20:43:21 -63.536829 0.015037 BFGS: 6759 20:43:21 -63.536361 0.010814 BFGS: 6760 20:43:21 -63.536811 0.010704 BFGS: 6761 20:43:21 -63.536817 0.018596 BFGS: 6762 20:43:22 -63.536829 0.015037 BFGS: 6763 20:43:22 -63.536361 0.010813 BFGS: 6764 20:43:22 -63.536811 0.010704 BFGS: 6765 20:43:23 -63.536817 0.018596 BFGS: 6766 20:43:23 -63.536829 0.015037 BFGS: 6767 20:43:23 -63.536361 0.010813 BFGS: 6768 20:43:23 -63.536811 0.010703 BFGS: 6769 20:43:24 -63.536817 0.018596 BFGS: 6770 20:43:24 -63.536829 0.015036 BFGS: 6771 20:43:24 -63.536361 0.010813 BFGS: 6772 20:43:25 -63.536811 0.010703 BFGS: 6773 20:43:25 -63.536817 0.018595 BFGS: 6774 20:43:26 -63.536829 0.015036 BFGS: 6775 20:43:26 -63.536361 0.010813 BFGS: 6776 20:43:27 -63.536811 0.010703 BFGS: 6777 20:43:27 -63.536817 0.018595 BFGS: 6778 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20:43:33 -63.536361 0.010811 BFGS: 6804 20:43:33 -63.536811 0.010702 BFGS: 6805 20:43:33 -63.536817 0.018593 BFGS: 6806 20:43:33 -63.536829 0.015034 BFGS: 6807 20:43:33 -63.536361 0.010811 BFGS: 6808 20:43:34 -63.536811 0.010701 BFGS: 6809 20:43:34 -63.536817 0.018593 BFGS: 6810 20:43:34 -63.536829 0.015033 BFGS: 6811 20:43:34 -63.536361 0.010811 BFGS: 6812 20:43:34 -63.536811 0.010701 BFGS: 6813 20:43:34 -63.536817 0.018592 BFGS: 6814 20:43:34 -63.536829 0.015033 BFGS: 6815 20:43:34 -63.536361 0.010811 BFGS: 6816 20:43:34 -63.536811 0.010701 BFGS: 6817 20:43:34 -63.536817 0.018592 BFGS: 6818 20:43:34 -63.536829 0.015033 BFGS: 6819 20:43:34 -63.536361 0.010810 BFGS: 6820 20:43:34 -63.536811 0.010701 BFGS: 6821 20:43:34 -63.536817 0.018592 BFGS: 6822 20:43:34 -63.536829 0.015033 BFGS: 6823 20:43:35 -63.536361 0.010810 BFGS: 6824 20:43:35 -63.536811 0.010700 BFGS: 6825 20:43:35 -63.536817 0.018591 BFGS: 6826 20:43:35 -63.536829 0.015032 BFGS: 6827 20:43:35 -63.536361 0.010810 BFGS: 6828 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20:43:40 -63.536817 0.018589 BFGS: 6854 20:43:40 -63.536829 0.015030 BFGS: 6855 20:43:40 -63.536361 0.010808 BFGS: 6856 20:43:40 -63.536811 0.010699 BFGS: 6857 20:43:41 -63.536817 0.018589 BFGS: 6858 20:43:41 -63.536829 0.015030 BFGS: 6859 20:43:41 -63.536361 0.010808 BFGS: 6860 20:43:42 -63.536811 0.010698 BFGS: 6861 20:43:42 -63.536817 0.018589 BFGS: 6862 20:43:42 -63.536829 0.015030 BFGS: 6863 20:43:42 -63.536361 0.010808 BFGS: 6864 20:43:42 -63.536811 0.010698 BFGS: 6865 20:43:43 -63.536817 0.018588 BFGS: 6866 20:43:43 -63.536829 0.015029 BFGS: 6867 20:43:43 -63.536361 0.010808 BFGS: 6868 20:43:44 -63.536811 0.010698 BFGS: 6869 20:43:44 -63.536817 0.018588 BFGS: 6870 20:43:44 -63.536829 0.015029 BFGS: 6871 20:43:45 -63.536361 0.010808 BFGS: 6872 20:43:45 -63.536811 0.010698 BFGS: 6873 20:43:46 -63.536817 0.018588 BFGS: 6874 20:43:46 -63.536829 0.015029 BFGS: 6875 20:43:46 -63.536361 0.010807 BFGS: 6876 20:43:46 -63.536811 0.010698 BFGS: 6877 20:43:47 -63.536817 0.018587 BFGS: 6878 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20:48:15 -63.536829 0.014938 BFGS: 8079 20:48:15 -63.536362 0.010742 BFGS: 8080 20:48:15 -63.536811 0.010632 BFGS: 8081 20:48:16 -63.536817 0.018495 BFGS: 8082 20:48:16 -63.536829 0.014937 BFGS: 8083 20:48:17 -63.536362 0.010741 BFGS: 8084 20:48:17 -63.536811 0.010631 BFGS: 8085 20:48:18 -63.536817 0.018494 BFGS: 8086 20:48:18 -63.536829 0.014937 BFGS: 8087 20:48:19 -63.536362 0.010741 BFGS: 8088 20:48:19 -63.536811 0.010631 BFGS: 8089 20:48:19 -63.536817 0.018494 BFGS: 8090 20:48:19 -63.536829 0.014937 BFGS: 8091 20:48:20 -63.536362 0.010741 BFGS: 8092 20:48:20 -63.536811 0.010631 BFGS: 8093 20:48:20 -63.536817 0.018494 BFGS: 8094 20:48:21 -63.536829 0.014936 BFGS: 8095 20:48:21 -63.536362 0.010741 BFGS: 8096 20:48:21 -63.536811 0.010631 BFGS: 8097 20:48:22 -63.536817 0.018493 BFGS: 8098 20:48:22 -63.536829 0.014936 BFGS: 8099 20:48:22 -63.536362 0.010740 BFGS: 8100 20:48:23 -63.536811 0.010631 BFGS: 8101 20:48:23 -63.536817 0.018493 BFGS: 8102 20:48:23 -63.536829 0.014936 BFGS: 8103 20:48:23 -63.536362 0.010740 BFGS: 8104 20:48:24 -63.536811 0.010630 BFGS: 8105 20:48:24 -63.536817 0.018493 BFGS: 8106 20:48:24 -63.536829 0.014936 BFGS: 8107 20:48:25 -63.536362 0.010740 BFGS: 8108 20:48:25 -63.536811 0.010630 BFGS: 8109 20:48:25 -63.536817 0.018493 BFGS: 8110 20:48:25 -63.536829 0.014935 BFGS: 8111 20:48:25 -63.536362 0.010740 BFGS: 8112 20:48:25 -63.536811 0.010630 BFGS: 8113 20:48:25 -63.536817 0.018492 BFGS: 8114 20:48:25 -63.536829 0.014935 BFGS: 8115 20:48:25 -63.536362 0.010740 BFGS: 8116 20:48:25 -63.536811 0.010630 BFGS: 8117 20:48:25 -63.536817 0.018492 BFGS: 8118 20:48:26 -63.536829 0.014935 BFGS: 8119 20:48:26 -63.536362 0.010739 BFGS: 8120 20:48:26 -63.536811 0.010629 BFGS: 8121 20:48:26 -63.536817 0.018492 BFGS: 8122 20:48:26 -63.536829 0.014934 BFGS: 8123 20:48:26 -63.536362 0.010739 BFGS: 8124 20:48:26 -63.536811 0.010629 BFGS: 8125 20:48:26 -63.536817 0.018491 BFGS: 8126 20:48:26 -63.536829 0.014934 BFGS: 8127 20:48:26 -63.536362 0.010739 BFGS: 8128 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20:49:12 -63.536362 0.010729 BFGS: 8304 20:49:12 -63.536811 0.010619 BFGS: 8305 20:49:12 -63.536817 0.018477 BFGS: 8306 20:49:12 -63.536829 0.014920 BFGS: 8307 20:49:12 -63.536362 0.010729 BFGS: 8308 20:49:13 -63.536811 0.010619 BFGS: 8309 20:49:13 -63.536817 0.018477 BFGS: 8310 20:49:13 -63.536829 0.014920 BFGS: 8311 20:49:14 -63.536362 0.010729 BFGS: 8312 20:49:14 -63.536811 0.010619 BFGS: 8313 20:49:14 -63.536817 0.018477 BFGS: 8314 20:49:15 -63.536829 0.014920 BFGS: 8315 20:49:15 -63.536362 0.010729 BFGS: 8316 20:49:15 -63.536811 0.010619 BFGS: 8317 20:49:15 -63.536817 0.018476 BFGS: 8318 20:49:16 -63.536829 0.014919 BFGS: 8319 20:49:16 -63.536362 0.010728 BFGS: 8320 20:49:16 -63.536811 0.010618 BFGS: 8321 20:49:16 -63.536817 0.018476 BFGS: 8322 20:49:16 -63.536829 0.014919 BFGS: 8323 20:49:16 -63.536362 0.010728 BFGS: 8324 20:49:16 -63.536811 0.010618 BFGS: 8325 20:49:16 -63.536817 0.018476 BFGS: 8326 20:49:16 -63.536829 0.014919 BFGS: 8327 20:49:17 -63.536362 0.010728 BFGS: 8328 20:49:17 -63.536811 0.010618 BFGS: 8329 20:49:17 -63.536817 0.018476 BFGS: 8330 20:49:17 -63.536829 0.014918 BFGS: 8331 20:49:17 -63.536362 0.010728 BFGS: 8332 20:49:17 -63.536811 0.010618 BFGS: 8333 20:49:17 -63.536817 0.018475 BFGS: 8334 20:49:17 -63.536829 0.014918 BFGS: 8335 20:49:18 -63.536362 0.010727 BFGS: 8336 20:49:18 -63.536811 0.010618 BFGS: 8337 20:49:18 -63.536817 0.018475 BFGS: 8338 20:49:19 -63.536829 0.014918 BFGS: 8339 20:49:19 -63.536362 0.010727 BFGS: 8340 20:49:19 -63.536811 0.010617 BFGS: 8341 20:49:20 -63.536817 0.018475 BFGS: 8342 20:49:20 -63.536829 0.014918 BFGS: 8343 20:49:20 -63.536362 0.010727 BFGS: 8344 20:49:20 -63.536811 0.010617 BFGS: 8345 20:49:21 -63.536817 0.018474 BFGS: 8346 20:49:21 -63.536829 0.014917 BFGS: 8347 20:49:21 -63.536362 0.010727 BFGS: 8348 20:49:21 -63.536811 0.010617 BFGS: 8349 20:49:21 -63.536817 0.018474 BFGS: 8350 20:49:21 -63.536829 0.014917 BFGS: 8351 20:49:21 -63.536362 0.010727 BFGS: 8352 20:49:21 -63.536811 0.010617 BFGS: 8353 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20:49:34 -63.536362 0.010724 BFGS: 8404 20:49:34 -63.536811 0.010614 BFGS: 8405 20:49:34 -63.536817 0.018470 BFGS: 8406 20:49:34 -63.536829 0.014913 BFGS: 8407 20:49:34 -63.536362 0.010724 BFGS: 8408 20:49:34 -63.536811 0.010614 BFGS: 8409 20:49:35 -63.536817 0.018469 BFGS: 8410 20:49:35 -63.536829 0.014912 BFGS: 8411 20:49:35 -63.536362 0.010723 BFGS: 8412 20:49:36 -63.536811 0.010613 BFGS: 8413 20:49:36 -63.536817 0.018469 BFGS: 8414 20:49:36 -63.536829 0.014912 BFGS: 8415 20:49:37 -63.536362 0.010723 BFGS: 8416 20:49:37 -63.536811 0.010613 BFGS: 8417 20:49:37 -63.536817 0.018469 BFGS: 8418 20:49:37 -63.536829 0.014912 BFGS: 8419 20:49:38 -63.536362 0.010723 BFGS: 8420 20:49:38 -63.536811 0.010613 BFGS: 8421 20:49:38 -63.536817 0.018468 BFGS: 8422 20:49:39 -63.536829 0.014911 BFGS: 8423 20:49:39 -63.536362 0.010723 BFGS: 8424 20:49:39 -63.536811 0.010613 BFGS: 8425 20:49:40 -63.536817 0.018468 BFGS: 8426 20:49:40 -63.536829 0.014911 BFGS: 8427 20:49:41 -63.536362 0.010722 BFGS: 8428 20:49:41 -63.536811 0.010612 BFGS: 8429 20:49:41 -63.536817 0.018468 BFGS: 8430 20:49:42 -63.536829 0.014911 BFGS: 8431 20:49:42 -63.536362 0.010722 BFGS: 8432 20:49:43 -63.536811 0.010612 BFGS: 8433 20:49:43 -63.536817 0.018467 BFGS: 8434 20:49:43 -63.536829 0.014910 BFGS: 8435 20:49:43 -63.536362 0.010722 BFGS: 8436 20:49:44 -63.536811 0.010612 BFGS: 8437 20:49:44 -63.536817 0.018467 BFGS: 8438 20:49:45 -63.536829 0.014910 BFGS: 8439 20:49:45 -63.536362 0.010722 BFGS: 8440 20:49:46 -63.536811 0.010612 BFGS: 8441 20:49:46 -63.536817 0.018467 BFGS: 8442 20:49:47 -63.536829 0.014910 BFGS: 8443 20:49:47 -63.536362 0.010722 BFGS: 8444 20:49:48 -63.536811 0.010612 BFGS: 8445 20:49:48 -63.536817 0.018467 BFGS: 8446 20:49:48 -63.536829 0.014910 BFGS: 8447 20:49:49 -63.536362 0.010721 BFGS: 8448 20:49:49 -63.536811 0.010611 BFGS: 8449 20:49:50 -63.536817 0.018466 BFGS: 8450 20:49:50 -63.536829 0.014909 BFGS: 8451 20:49:50 -63.536362 0.010721 BFGS: 8452 20:49:51 -63.536811 0.010611 BFGS: 8453 20:49:51 -63.536817 0.018466 BFGS: 8454 20:49:52 -63.536829 0.014909 BFGS: 8455 20:49:52 -63.536362 0.010721 BFGS: 8456 20:49:53 -63.536811 0.010611 BFGS: 8457 20:49:53 -63.536817 0.018466 BFGS: 8458 20:49:53 -63.536829 0.014909 BFGS: 8459 20:49:54 -63.536362 0.010721 BFGS: 8460 20:49:54 -63.536811 0.010611 BFGS: 8461 20:49:54 -63.536817 0.018465 BFGS: 8462 20:49:55 -63.536829 0.014908 BFGS: 8463 20:49:55 -63.536362 0.010720 BFGS: 8464 20:49:56 -63.536811 0.010610 BFGS: 8465 20:49:56 -63.536817 0.018465 BFGS: 8466 20:49:57 -63.536829 0.014908 BFGS: 8467 20:49:57 -63.536362 0.010720 BFGS: 8468 20:49:57 -63.536811 0.010610 BFGS: 8469 20:49:58 -63.536817 0.018465 BFGS: 8470 20:49:58 -63.536829 0.014908 BFGS: 8471 20:49:58 -63.536362 0.010720 BFGS: 8472 20:49:58 -63.536811 0.010610 BFGS: 8473 20:49:58 -63.536817 0.018464 BFGS: 8474 20:49:58 -63.536829 0.014907 BFGS: 8475 20:49:58 -63.536362 0.010720 BFGS: 8476 20:49:58 -63.536811 0.010610 BFGS: 8477 20:49:59 -63.536817 0.018464 BFGS: 8478 20:49:59 -63.536829 0.014907 BFGS: 8479 20:49:59 -63.536362 0.010720 BFGS: 8480 20:49:59 -63.536811 0.010610 BFGS: 8481 20:49:59 -63.536817 0.018464 BFGS: 8482 20:49:59 -63.536829 0.014907 BFGS: 8483 20:50:00 -63.536362 0.010719 BFGS: 8484 20:50:00 -63.536811 0.010609 BFGS: 8485 20:50:00 -63.536817 0.018463 BFGS: 8486 20:50:01 -63.536829 0.014907 BFGS: 8487 20:50:01 -63.536362 0.010719 BFGS: 8488 20:50:02 -63.536811 0.010609 BFGS: 8489 20:50:02 -63.536817 0.018463 BFGS: 8490 20:50:02 -63.536829 0.014906 BFGS: 8491 20:50:03 -63.536362 0.010719 BFGS: 8492 20:50:03 -63.536811 0.010609 BFGS: 8493 20:50:04 -63.536817 0.018463 BFGS: 8494 20:50:04 -63.536829 0.014906 BFGS: 8495 20:50:05 -63.536362 0.010719 BFGS: 8496 20:50:05 -63.536811 0.010609 BFGS: 8497 20:50:05 -63.536817 0.018462 BFGS: 8498 20:50:05 -63.536829 0.014906 BFGS: 8499 20:50:06 -63.536362 0.010718 BFGS: 8500 20:50:06 -63.536811 0.010608 BFGS: 8501 20:50:06 -63.536817 0.018462 BFGS: 8502 20:50:06 -63.536829 0.014905 BFGS: 8503 20:50:07 -63.536362 0.010718 BFGS: 8504 20:50:07 -63.536811 0.010608 BFGS: 8505 20:50:07 -63.536817 0.018462 BFGS: 8506 20:50:07 -63.536829 0.014905 BFGS: 8507 20:50:07 -63.536362 0.010718 BFGS: 8508 20:50:08 -63.536811 0.010608 BFGS: 8509 20:50:08 -63.536817 0.018462 BFGS: 8510 20:50:08 -63.536829 0.014905 BFGS: 8511 20:50:08 -63.536362 0.010718 BFGS: 8512 20:50:09 -63.536811 0.010608 BFGS: 8513 20:50:09 -63.536817 0.018461 BFGS: 8514 20:50:09 -63.536829 0.014904 BFGS: 8515 20:50:10 -63.536362 0.010718 BFGS: 8516 20:50:10 -63.536811 0.010608 BFGS: 8517 20:50:10 -63.536817 0.018461 BFGS: 8518 20:50:10 -63.536829 0.014904 BFGS: 8519 20:50:10 -63.536362 0.010717 BFGS: 8520 20:50:10 -63.536811 0.010607 BFGS: 8521 20:50:10 -63.536817 0.018461 BFGS: 8522 20:50:10 -63.536829 0.014904 BFGS: 8523 20:50:11 -63.536362 0.010717 BFGS: 8524 20:50:11 -63.536811 0.010607 BFGS: 8525 20:50:12 -63.536817 0.018460 BFGS: 8526 20:50:12 -63.536829 0.014903 BFGS: 8527 20:50:12 -63.536362 0.010717 BFGS: 8528 20:50:13 -63.536811 0.010607 BFGS: 8529 20:50:13 -63.536817 0.018460 BFGS: 8530 20:50:13 -63.536829 0.014903 BFGS: 8531 20:50:14 -63.536362 0.010717 BFGS: 8532 20:50:14 -63.536811 0.010607 BFGS: 8533 20:50:14 -63.536817 0.018460 BFGS: 8534 20:50:15 -63.536829 0.014903 BFGS: 8535 20:50:15 -63.536362 0.010716 BFGS: 8536 20:50:15 -63.536811 0.010606 BFGS: 8537 20:50:15 -63.536817 0.018459 BFGS: 8538 20:50:15 -63.536829 0.014903 BFGS: 8539 20:50:16 -63.536362 0.010716 BFGS: 8540 20:50:16 -63.536811 0.010606 BFGS: 8541 20:50:17 -63.536817 0.018459 BFGS: 8542 20:50:17 -63.536829 0.014902 BFGS: 8543 20:50:17 -63.536362 0.010716 BFGS: 8544 20:50:18 -63.536811 0.010606 BFGS: 8545 20:50:18 -63.536817 0.018459 BFGS: 8546 20:50:18 -63.536829 0.014902 BFGS: 8547 20:50:19 -63.536362 0.010716 BFGS: 8548 20:50:19 -63.536811 0.010606 BFGS: 8549 20:50:19 -63.536817 0.018458 BFGS: 8550 20:50:19 -63.536829 0.014902 BFGS: 8551 20:50:20 -63.536362 0.010716 BFGS: 8552 20:50:20 -63.536811 0.010606 BFGS: 8553 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20:56:48 -63.536812 0.010528 BFGS: 9929 20:56:49 -63.536818 0.018350 BFGS: 9930 20:56:49 -63.536830 0.014795 BFGS: 9931 20:56:49 -63.536362 0.010639 BFGS: 9932 20:56:50 -63.536812 0.010528 BFGS: 9933 20:56:50 -63.536818 0.018350 BFGS: 9934 20:56:50 -63.536830 0.014795 BFGS: 9935 20:56:51 -63.536362 0.010638 BFGS: 9936 20:56:51 -63.536812 0.010528 BFGS: 9937 20:56:52 -63.536818 0.018350 BFGS: 9938 20:56:52 -63.536830 0.014794 BFGS: 9939 20:56:53 -63.536362 0.010638 BFGS: 9940 20:56:53 -63.536812 0.010528 BFGS: 9941 20:56:53 -63.536818 0.018349 BFGS: 9942 20:56:54 -63.536830 0.014794 BFGS: 9943 20:56:54 -63.536362 0.010638 BFGS: 9944 20:56:55 -63.536812 0.010527 BFGS: 9945 20:56:55 -63.536818 0.018349 BFGS: 9946 20:56:55 -63.536830 0.014794 BFGS: 9947 20:56:55 -63.536362 0.010638 BFGS: 9948 20:56:55 -63.536812 0.010527 BFGS: 9949 20:56:56 -63.536818 0.018349 BFGS: 9950 20:56:56 -63.536830 0.014793 BFGS: 9951 20:56:56 -63.536362 0.010637 BFGS: 9952 20:56:56 -63.536812 0.010527 BFGS: 9953 20:56:56 -63.536818 0.018348 BFGS: 9954 20:56:57 -63.536830 0.014793 BFGS: 9955 20:56:57 -63.536362 0.010637 BFGS: 9956 20:56:57 -63.536812 0.010527 BFGS: 9957 20:56:58 -63.536818 0.018348 BFGS: 9958 20:56:58 -63.536830 0.014793 BFGS: 9959 20:56:58 -63.536362 0.010637 BFGS: 9960 20:56:59 -63.536812 0.010526 BFGS: 9961 20:56:59 -63.536818 0.018348 BFGS: 9962 20:56:59 -63.536830 0.014792 BFGS: 9963 20:57:00 -63.536362 0.010637 BFGS: 9964 20:57:01 -63.536812 0.010526 BFGS: 9965 20:57:01 -63.536818 0.018347 BFGS: 9966 20:57:01 -63.536830 0.014792 BFGS: 9967 20:57:02 -63.536362 0.010637 BFGS: 9968 20:57:02 -63.536812 0.010526 BFGS: 9969 20:57:02 -63.536818 0.018347 BFGS: 9970 20:57:03 -63.536830 0.014792 BFGS: 9971 20:57:03 -63.536362 0.010636 BFGS: 9972 20:57:03 -63.536812 0.010526 BFGS: 9973 20:57:04 -63.536818 0.018347 BFGS: 9974 20:57:04 -63.536830 0.014791 BFGS: 9975 20:57:05 -63.536362 0.010636 BFGS: 9976 20:57:05 -63.536812 0.010526 BFGS: 9977 20:57:05 -63.536818 0.018347 BFGS: 9978 20:57:06 -63.536830 0.014791 BFGS: 9979 20:57:06 -63.536362 0.010636 BFGS: 9980 20:57:06 -63.536812 0.010525 BFGS: 9981 20:57:07 -63.536818 0.018346 BFGS: 9982 20:57:07 -63.536830 0.014791 BFGS: 9983 20:57:08 -63.536362 0.010636 BFGS: 9984 20:57:08 -63.536812 0.010525 BFGS: 9985 20:57:08 -63.536818 0.018346 BFGS: 9986 20:57:09 -63.536830 0.014791 BFGS: 9987 20:57:09 -63.536362 0.010635 BFGS: 9988 20:57:09 -63.536812 0.010525 BFGS: 9989 20:57:10 -63.536818 0.018346 BFGS: 9990 20:57:10 -63.536830 0.014790 BFGS: 9991 20:57:10 -63.536362 0.010635 BFGS: 9992 20:57:11 -63.536812 0.010525 BFGS: 9993 20:57:11 -63.536818 0.018345 BFGS: 9994 20:57:11 -63.536830 0.014790 BFGS: 9995 20:57:12 -63.536362 0.010635 BFGS: 9996 20:57:12 -63.536812 0.010524 BFGS: 9997 20:57:12 -63.536818 0.018345 BFGS: 9998 20:57:13 -63.536830 0.014790 BFGS: 9999 20:57:13 -63.536362 0.010635 BFGS: 10000 20:57:14 -63.536812 0.010524 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.00982012461600728 eV/Angstrom Maximum stress component: 0.0012479074997730605 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] basis = [[0.00000000e+00 8.88411609e-01 2.25420638e-01] [0.00000000e+00 1.11588391e-01 7.25420638e-01] [5.00000000e-01 3.88411609e-01 2.25420638e-01] [5.00000000e-01 6.11588391e-01 7.25420638e-01] [0.00000000e+00 9.24260418e-01 5.38598383e-01] [1.36729967e-35 7.57395820e-02 3.85983827e-02] [5.00000000e-01 4.24260418e-01 5.38598383e-01] [5.00000000e-01 5.75739582e-01 3.85983827e-02] [1.93342877e-35 7.23615429e-01 6.83130986e-01] [0.00000000e+00 2.76384571e-01 1.83130986e-01] [5.00000000e-01 2.23615429e-01 6.83130986e-01] [5.00000000e-01 7.76384571e-01 1.83130986e-01]] cellpar = Cell([2.6298646944287705, 6.4127336089659295, 4.853475561773571]) forces = [[ 0.00000000e+00 6.30767746e-03 1.73723002e-03] [ 0.00000000e+00 -6.30767746e-03 1.73723002e-03] [ 0.00000000e+00 6.30767746e-03 1.73723002e-03] [ 0.00000000e+00 -6.30767746e-03 1.73723002e-03] [ 6.48311701e-32 9.82012462e-03 -3.67840851e-03] [-3.24155851e-32 -9.82012462e-03 -3.67840851e-03] [ 6.48311701e-32 9.82012462e-03 -3.67840851e-03] [-3.24155851e-32 -9.82012462e-03 -3.67840851e-03] [ 0.00000000e+00 -9.05745319e-04 1.94117849e-03] [ 0.00000000e+00 9.05745319e-04 1.94117849e-03] [ 0.00000000e+00 -9.05745319e-04 1.94117849e-03] [ 0.00000000e+00 9.05745319e-04 1.94117849e-03]] stress = [-0.00124791 -0.00092086 -0.00024199 0. 0. 0. ] energy per atom = -5.190721942558827 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0