element(s): ['C', 'H', 'N'] AFLOW prototype label: AB2C2_oP40_61_c_2c_2c Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['7.0164', '1.2412063', '1.0495838', '0.05969915', '0.76418814', '0.8630541', '0.11575454', '0.98374928', '0.78887849', '0.27462955', '0.89710372', '0.95215505', '0.15961953', '0.89034722', '0.86490724', '0.97089669', '0.6492836', '0.8625055'] model name: Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'H', 'H', 'N', 'N'] representative atom coordinates = [[0.05969915 0.76418814 0.8630541 ] [0.11575454 0.98374928 0.78887849] [0.27462955 0.89710372 0.95215505] [0.15961953 0.89034722 0.86490724] [0.97089669 0.6492836 0.8625055 ]] spacegroup = 61 cell = [[7.0164, 0, 0], [0, 8.7088, 0], [0, 0, 7.3643]] ========================================= Step Time Energy fmax BFGS: 0 21:12:32 -177.184659 15.3267 BFGS: 1 21:12:32 -183.298539 13.8311 BFGS: 2 21:12:32 -185.795685 4.1141 BFGS: 3 21:12:32 -185.517439 9.3613 BFGS: 4 21:12:32 -186.167782 1.5956 BFGS: 5 21:12:32 -186.161869 2.9895 BFGS: 6 21:12:33 -186.335711 0.9406 BFGS: 7 21:12:33 -186.381621 1.7763 BFGS: 8 21:12:34 -186.456611 0.5913 BFGS: 9 21:12:34 -186.485453 0.5805 BFGS: 10 21:12:35 -186.504772 0.9447 BFGS: 11 21:12:36 -186.527718 0.3176 BFGS: 12 21:12:36 -186.600560 1.0566 BFGS: 13 21:12:37 -186.732206 1.1619 BFGS: 14 21:12:37 -186.831946 1.4876 BFGS: 15 21:12:38 -186.864600 1.7613 BFGS: 16 21:12:38 -186.934613 1.5209 BFGS: 17 21:12:39 -187.081309 1.0322 BFGS: 18 21:12:39 -187.189858 0.6234 BFGS: 19 21:12:39 -187.207885 1.2587 BFGS: 20 21:12:40 -187.240738 0.4130 BFGS: 21 21:12:40 -187.256321 0.2511 BFGS: 22 21:12:41 -187.268836 0.5970 BFGS: 23 21:12:41 -187.291187 0.4542 BFGS: 24 21:12:41 -187.332059 0.8414 BFGS: 25 21:12:42 -187.345428 0.4730 BFGS: 26 21:12:42 -187.355591 0.3573 BFGS: 27 21:12:43 -187.378095 0.9556 BFGS: 28 21:12:43 -187.399162 0.8340 BFGS: 29 21:12:44 -187.455047 0.8229 BFGS: 30 21:12:44 -187.489498 0.6602 BFGS: 31 21:12:44 -187.503918 0.5106 BFGS: 32 21:12:45 -187.511437 1.1283 BFGS: 33 21:12:46 -187.502136 0.7455 BFGS: 34 21:12:46 -187.513813 0.8772 BFGS: 35 21:12:47 -187.517241 1.2495 BFGS: 36 21:12:48 -187.520364 0.2286 BFGS: 37 21:12:48 -187.522604 0.4137 BFGS: 38 21:12:48 -187.537514 1.0330 BFGS: 39 21:12:49 -187.559907 1.0735 BFGS: 40 21:12:49 -187.585338 1.0906 BFGS: 41 21:12:49 -187.611788 1.0763 BFGS: 42 21:12:50 -187.637350 1.0558 BFGS: 43 21:12:50 -187.666355 1.0259 BFGS: 44 21:12:51 -187.694813 0.9988 BFGS: 45 21:12:51 -187.715136 0.9699 BFGS: 46 21:12:52 -187.729734 0.9327 BFGS: 47 21:12:53 -187.739691 0.8946 BFGS: 48 21:12:53 -187.748570 0.5638 BFGS: 49 21:12:54 -187.753486 0.5865 BFGS: 50 21:12:54 -187.760723 0.5657 BFGS: 51 21:12:55 -187.764818 1.1793 BFGS: 52 21:12:55 -187.769076 0.4917 BFGS: 53 21:12:56 -187.775165 0.3266 BFGS: 54 21:12:56 -187.776981 0.9762 BFGS: 55 21:12:56 -187.763677 0.5637 BFGS: 56 21:12:57 -187.777284 0.3322 BFGS: 57 21:12:57 -187.779164 0.3436 BFGS: 58 21:12:58 -187.784659 0.5566 BFGS: 59 21:12:58 -187.789629 0.3328 BFGS: 60 21:12:59 -187.798191 0.2698 BFGS: 61 21:12:59 -187.810674 0.2695 BFGS: 62 21:12:59 -187.821855 0.7614 BFGS: 63 21:13:00 -187.831413 0.7212 BFGS: 64 21:13:00 -187.841533 0.8977 BFGS: 65 21:13:01 -187.850906 0.6085 BFGS: 66 21:13:01 -187.860387 0.9547 BFGS: 67 21:13:02 -187.869086 0.4492 BFGS: 68 21:13:02 -187.876718 0.5008 BFGS: 69 21:13:02 -187.883220 0.3327 BFGS: 70 21:13:03 -187.888710 0.3416 BFGS: 71 21:13:03 -187.893394 0.3480 BFGS: 72 21:13:04 -187.896669 0.2649 BFGS: 73 21:13:04 -187.899824 0.6649 BFGS: 74 21:13:05 -187.901894 0.6804 BFGS: 75 21:13:05 -187.904568 0.9043 BFGS: 76 21:13:06 -187.910480 1.0514 BFGS: 77 21:13:06 -187.918034 0.4040 BFGS: 78 21:13:07 -187.922450 0.4635 BFGS: 79 21:13:07 -187.927633 0.3995 BFGS: 80 21:13:07 -187.937707 0.6490 BFGS: 81 21:13:08 -187.956216 0.5628 BFGS: 82 21:13:09 -187.970809 0.5719 BFGS: 83 21:13:09 -187.980733 0.5791 BFGS: 84 21:13:10 -187.990200 0.5867 BFGS: 85 21:13:10 -187.999401 0.5947 BFGS: 86 21:13:11 -188.011856 0.6029 BFGS: 87 21:13:11 -188.026070 0.6120 BFGS: 88 21:13:11 -188.035043 0.6208 BFGS: 89 21:13:12 -188.043883 0.6291 BFGS: 90 21:13:12 -188.052584 0.6376 BFGS: 91 21:13:13 -188.061162 0.6461 BFGS: 92 21:13:13 -188.069620 0.6547 BFGS: 93 21:13:14 -188.077958 0.6633 BFGS: 94 21:13:14 -188.086176 0.6719 BFGS: 95 21:13:14 -188.094271 0.6805 BFGS: 96 21:13:14 -188.107343 0.6890 BFGS: 97 21:13:14 -188.115180 0.6974 BFGS: 98 21:13:14 -188.122926 0.7059 BFGS: 99 21:13:14 -188.130556 0.7144 BFGS: 100 21:13:14 -188.138057 0.7230 BFGS: 101 21:13:14 -188.145418 0.7315 BFGS: 102 21:13:14 -188.152632 0.7399 BFGS: 103 21:13:14 -188.159688 0.7484 BFGS: 104 21:13:15 -188.166580 0.7570 BFGS: 105 21:13:15 -188.177599 0.7655 BFGS: 106 21:13:16 -188.184859 0.7746 BFGS: 107 21:13:16 -188.191329 0.7827 BFGS: 108 21:13:17 -188.197578 0.7914 BFGS: 109 21:13:18 -188.203671 0.7998 BFGS: 110 21:13:18 -188.209535 0.8085 BFGS: 111 21:13:19 -188.215192 0.8170 BFGS: 112 21:13:19 -188.223208 0.8258 BFGS: 113 21:13:20 -188.228358 0.8349 BFGS: 114 21:13:20 -188.233372 0.8433 BFGS: 115 21:13:21 -188.238124 0.8526 BFGS: 116 21:13:21 -188.242662 0.8615 BFGS: 117 21:13:22 -188.246930 0.8709 BFGS: 118 21:13:22 -188.250947 0.8803 BFGS: 119 21:13:23 -188.254680 0.8902 BFGS: 120 21:13:23 -188.258139 0.9003 BFGS: 121 21:13:24 -188.261301 0.9110 BFGS: 122 21:13:24 -188.264173 0.9222 BFGS: 123 21:13:24 -188.266737 0.9344 BFGS: 124 21:13:25 -188.269003 0.9479 BFGS: 125 21:13:25 -188.270986 0.9631 BFGS: 126 21:13:26 -188.272657 0.9812 BFGS: 127 21:13:26 -188.274047 1.0040 BFGS: 128 21:13:27 -188.276683 1.0354 BFGS: 129 21:13:27 -188.276073 1.1209 BFGS: 130 21:13:28 -188.278790 1.1675 BFGS: 131 21:13:29 -188.279221 1.1891 BFGS: 132 21:13:29 -188.263680 0.8981 BFGS: 133 21:13:30 -188.278606 0.5956 BFGS: 134 21:13:30 -188.277795 1.1497 BFGS: 135 21:13:31 -188.280494 1.1674 BFGS: 136 21:13:31 -188.273289 0.7783 BFGS: 137 21:13:32 -188.279434 0.7087 BFGS: 138 21:13:32 -188.278552 1.0609 BFGS: 139 21:13:33 -188.281315 0.4176 BFGS: 140 21:13:33 -188.280835 0.8138 BFGS: 141 21:13:34 -188.281369 0.6273 BFGS: 142 21:13:34 -188.276864 0.6416 BFGS: 143 21:13:35 -188.279613 0.6672 BFGS: 144 21:13:36 -188.276759 0.7607 BFGS: 145 21:13:36 -188.281418 0.8402 BFGS: 146 21:13:37 -188.281047 0.6398 BFGS: 147 21:13:37 -188.281749 0.8333 BFGS: 148 21:13:37 -188.281874 1.1905 BFGS: 149 21:13:38 -188.281789 0.1871 BFGS: 150 21:13:38 -188.281993 0.2405 BFGS: 151 21:13:39 -188.282057 0.3942 BFGS: 152 21:13:39 -188.282570 0.5435 BFGS: 153 21:13:40 -188.283609 0.2784 BFGS: 154 21:13:40 -188.284848 0.2291 BFGS: 155 21:13:40 -188.286555 0.4186 BFGS: 156 21:13:41 -188.287721 0.8249 BFGS: 157 21:13:41 -188.288711 0.8344 BFGS: 158 21:13:42 -188.289164 0.5636 BFGS: 159 21:13:43 -188.289398 0.5976 BFGS: 160 21:13:43 -188.289630 0.6077 BFGS: 161 21:13:43 -188.289854 0.2319 BFGS: 162 21:13:44 -188.290749 0.7469 BFGS: 163 21:13:45 -188.291336 0.2256 BFGS: 164 21:13:45 -188.292609 0.2873 BFGS: 165 21:13:45 -188.295870 0.5380 BFGS: 166 21:13:46 -188.298236 0.5775 BFGS: 167 21:13:46 -188.304260 0.5884 BFGS: 168 21:13:47 -188.306086 0.5927 BFGS: 169 21:13:47 -188.307849 0.5969 BFGS: 170 21:13:48 -188.309574 0.6018 BFGS: 171 21:13:48 -188.311269 0.6079 BFGS: 172 21:13:48 -188.312935 0.6154 BFGS: 173 21:13:49 -188.316316 0.6241 BFGS: 174 21:13:49 -188.317362 0.6374 BFGS: 175 21:13:50 -188.318374 0.6570 BFGS: 176 21:13:51 -188.319231 0.6828 BFGS: 177 21:13:51 -188.319873 0.7025 BFGS: 178 21:13:52 -188.320584 0.7186 BFGS: 179 21:13:52 -188.321406 0.7335 BFGS: 180 21:13:53 -188.322774 0.7692 BFGS: 181 21:13:54 -188.324403 0.8415 BFGS: 182 21:13:54 -188.325966 0.9733 BFGS: 183 21:13:55 -188.327475 1.1615 BFGS: 184 21:13:55 -188.329330 0.4107 BFGS: 185 21:13:56 -188.330449 0.2856 BFGS: 186 21:13:56 -188.334036 0.3798 BFGS: 187 21:13:57 -188.335267 0.4575 BFGS: 188 21:13:57 -188.336524 0.5146 BFGS: 189 21:13:58 -188.337789 0.5533 BFGS: 190 21:13:58 -188.341687 0.5822 BFGS: 191 21:13:59 -188.342812 0.5968 BFGS: 192 21:14:00 -188.344185 0.6161 BFGS: 193 21:14:00 -188.345401 0.6255 BFGS: 194 21:14:01 -188.346753 0.6391 BFGS: 195 21:14:01 -188.348019 0.6466 BFGS: 196 21:14:02 -188.353615 0.6575 BFGS: 197 21:14:02 -188.354750 0.6624 BFGS: 198 21:14:03 -188.355981 0.6704 BFGS: 199 21:14:03 -188.357239 0.6782 BFGS: 200 21:14:04 -188.358492 0.6862 BFGS: 201 21:14:04 -188.359741 0.6940 BFGS: 202 21:14:05 -188.360967 0.7019 BFGS: 203 21:14:05 -188.362163 0.7097 BFGS: 204 21:14:06 -188.363313 0.7176 BFGS: 205 21:14:06 -188.364412 0.7253 BFGS: 206 21:14:07 -188.363644 0.7331 BFGS: 207 21:14:07 -188.364538 0.7394 BFGS: 208 21:14:08 -188.365474 0.7487 BFGS: 209 21:14:08 -188.366280 0.7544 BFGS: 210 21:14:08 -188.367070 0.7647 BFGS: 211 21:14:08 -188.367768 0.7690 BFGS: 212 21:14:08 -188.368472 0.7798 BFGS: 213 21:14:08 -188.369143 0.7844 BFGS: 214 21:14:08 -188.369899 0.7940 BFGS: 215 21:14:08 -188.367015 0.7997 BFGS: 216 21:14:08 -188.367770 0.8053 BFGS: 217 21:14:08 -188.368834 0.8146 BFGS: 218 21:14:09 -188.369889 0.8198 BFGS: 219 21:14:09 -188.371259 0.8289 BFGS: 220 21:14:09 -188.372623 0.8342 BFGS: 221 21:14:09 -188.374281 0.8431 BFGS: 222 21:14:09 -188.375943 0.8485 BFGS: 223 21:14:09 -188.377868 0.8575 BFGS: 224 21:14:09 -188.379787 0.8627 BFGS: 225 21:14:09 -188.382144 0.8721 BFGS: 226 21:14:09 -188.384238 0.8765 BFGS: 227 21:14:10 -188.386598 0.8863 BFGS: 228 21:14:10 -188.388853 0.8894 BFGS: 229 21:14:10 -188.391348 0.8977 BFGS: 230 21:14:11 -188.393728 0.8978 BFGS: 231 21:14:12 -188.391236 0.9010 BFGS: 232 21:14:12 -188.393671 0.8966 BFGS: 233 21:14:13 -188.394565 0.8866 BFGS: 234 21:14:13 -188.397245 0.8732 BFGS: 235 21:14:14 -188.399976 0.8585 BFGS: 236 21:14:14 -188.403796 0.8543 BFGS: 237 21:14:15 -188.409563 0.8643 BFGS: 238 21:14:16 -188.414445 0.7629 BFGS: 239 21:14:16 -188.417729 0.5494 BFGS: 240 21:14:17 -188.418884 0.5090 BFGS: 241 21:14:17 -188.420264 0.4525 BFGS: 242 21:14:17 -188.423266 0.3656 BFGS: 243 21:14:18 -188.424774 0.3690 BFGS: 244 21:14:19 -188.429001 0.3816 BFGS: 245 21:14:19 -188.431024 0.3935 BFGS: 246 21:14:19 -188.432582 0.4022 BFGS: 247 21:14:20 -188.434972 0.3930 BFGS: 248 21:14:20 -188.436068 0.3729 BFGS: 249 21:14:21 -188.436837 0.3479 BFGS: 250 21:14:22 -188.437677 0.3284 BFGS: 251 21:14:22 -188.439263 0.3164 BFGS: 252 21:14:23 -188.441574 0.3224 BFGS: 253 21:14:23 -188.444248 0.3307 BFGS: 254 21:14:23 -188.447547 0.3368 BFGS: 255 21:14:24 -188.450985 0.3243 BFGS: 256 21:14:24 -188.454970 0.3478 BFGS: 257 21:14:24 -188.457253 0.3116 BFGS: 258 21:14:24 -188.460803 0.4521 BFGS: 259 21:14:25 -188.467567 0.4488 BFGS: 260 21:14:25 -188.469334 0.4692 BFGS: 261 21:14:26 -188.470795 0.4820 BFGS: 262 21:14:26 -188.471962 0.4775 BFGS: 263 21:14:27 -188.472841 0.4745 BFGS: 264 21:14:28 -188.473409 0.4670 BFGS: 265 21:14:28 -188.473826 0.4681 BFGS: 266 21:14:29 -188.474121 0.4650 BFGS: 267 21:14:30 -188.474407 0.4742 BFGS: 268 21:14:30 -188.474647 0.4739 BFGS: 269 21:14:30 -188.474953 0.4948 BFGS: 270 21:14:31 -188.475193 0.4924 BFGS: 271 21:14:31 -188.475556 0.5309 BFGS: 272 21:14:32 -188.475814 0.5203 BFGS: 273 21:14:32 -188.476298 0.5586 BFGS: 274 21:14:33 -188.477058 0.5575 BFGS: 275 21:14:33 -188.478780 0.5606 BFGS: 276 21:14:33 -188.481341 0.5320 BFGS: 277 21:14:34 -188.485521 0.4448 BFGS: 278 21:14:34 -188.489641 0.3547 BFGS: 279 21:14:35 -188.490726 0.3436 BFGS: 280 21:14:35 -188.491894 0.8351 BFGS: 281 21:14:36 -188.492512 0.1655 BFGS: 282 21:14:36 -188.492462 1.0494 BFGS: 283 21:14:37 -188.491985 0.3330 BFGS: 284 21:14:38 -188.492683 0.2897 BFGS: 285 21:14:38 -188.492944 0.2890 BFGS: 286 21:14:38 -188.492696 0.2599 BFGS: 287 21:14:39 -188.493060 0.3478 BFGS: 288 21:14:39 -188.492359 0.2896 BFGS: 289 21:14:40 -188.492969 0.2466 BFGS: 290 21:14:40 -188.492480 0.2536 BFGS: 291 21:14:41 -188.493228 0.3685 BFGS: 292 21:14:41 -188.491798 0.3098 BFGS: 293 21:14:42 -188.492818 0.2888 BFGS: 294 21:14:42 -188.492238 0.2752 BFGS: 295 21:14:42 -188.493299 0.2321 BFGS: 296 21:14:43 -188.493220 0.2354 BFGS: 297 21:14:43 -188.493398 0.1404 BFGS: 298 21:14:44 -188.493367 0.5048 BFGS: 299 21:14:45 -188.493411 0.5521 BFGS: 300 21:14:45 -188.493422 0.1826 BFGS: 301 21:14:46 -188.493490 0.1864 BFGS: 302 21:14:46 -188.494709 0.2142 BFGS: 303 21:14:46 -188.495729 0.2115 BFGS: 304 21:14:47 -188.496674 0.2126 BFGS: 305 21:14:48 -188.497577 0.2156 BFGS: 306 21:14:48 -188.498448 0.2200 BFGS: 307 21:14:48 -188.499282 0.2250 BFGS: 308 21:14:49 -188.500065 0.2303 BFGS: 309 21:14:50 -188.500772 0.2358 BFGS: 310 21:14:51 -188.501367 0.2439 BFGS: 311 21:14:51 -188.501709 0.2722 BFGS: 312 21:14:52 -188.501849 0.3685 BFGS: 313 21:14:52 -188.501855 0.9470 BFGS: 314 21:14:53 -188.501909 0.4593 BFGS: 315 21:14:53 -188.501933 0.4990 BFGS: 316 21:14:53 -188.502047 0.3942 BFGS: 317 21:14:54 -188.502131 0.8135 BFGS: 318 21:14:54 -188.502406 0.3060 BFGS: 319 21:14:55 -188.502557 0.8356 BFGS: 320 21:14:56 -188.502762 0.7004 BFGS: 321 21:14:56 -188.503123 0.6232 BFGS: 322 21:14:57 -188.503415 0.6421 BFGS: 323 21:14:57 -188.503844 0.3555 BFGS: 324 21:14:58 -188.503924 0.2785 BFGS: 325 21:14:58 -188.503961 0.1730 BFGS: 326 21:14:58 -188.503950 0.2901 BFGS: 327 21:14:59 -188.503897 0.4460 BFGS: 328 21:14:59 -188.503943 0.3089 BFGS: 329 21:15:00 -188.503882 0.1909 BFGS: 330 21:15:00 -188.503924 0.1917 BFGS: 331 21:15:01 -188.503788 0.3217 BFGS: 332 21:15:02 -188.503933 0.1784 BFGS: 333 21:15:02 -188.503918 0.3388 BFGS: 334 21:15:03 -188.503941 0.1652 BFGS: 335 21:15:03 -188.503941 0.2922 BFGS: 336 21:15:04 -188.503945 0.1508 BFGS: 337 21:15:04 -188.503946 0.9409 BFGS: 338 21:15:05 -188.503894 0.2074 BFGS: 339 21:15:05 -188.503939 0.2071 BFGS: 340 21:15:06 -188.503817 0.1775 BFGS: 341 21:15:07 -188.503916 0.1785 BFGS: 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21:58:27 -188.483261 0.3647 BFGS: 6101 21:58:28 -188.499053 0.2396 BFGS: 6102 21:58:28 -188.487066 0.3560 BFGS: 6103 21:58:29 -188.503187 0.2303 BFGS: 6104 21:58:29 -188.483262 0.3647 BFGS: 6105 21:58:30 -188.499054 0.2396 BFGS: 6106 21:58:30 -188.487066 0.3560 BFGS: 6107 21:58:30 -188.503187 0.2303 BFGS: 6108 21:58:31 -188.483262 0.3647 BFGS: 6109 21:58:31 -188.499054 0.2396 BFGS: 6110 21:58:32 -188.487066 0.3560 BFGS: 6111 21:58:32 -188.503187 0.2303 BFGS: 6112 21:58:32 -188.483263 0.3647 BFGS: 6113 21:58:33 -188.499054 0.2397 BFGS: 6114 21:58:34 -188.487066 0.3560 BFGS: 6115 21:58:34 -188.503187 0.2303 BFGS: 6116 21:58:35 -188.483263 0.3647 BFGS: 6117 21:58:35 -188.499055 0.2397 BFGS: 6118 21:58:35 -188.487066 0.3560 BFGS: 6119 21:58:36 -188.503188 0.2303 BFGS: 6120 21:58:36 -188.483264 0.3647 BFGS: 6121 21:58:37 -188.499055 0.2397 BFGS: 6122 21:58:37 -188.487066 0.3560 BFGS: 6123 21:58:37 -188.503188 0.2304 BFGS: 6124 21:58:38 -188.483264 0.3647 BFGS: 6125 21:58:38 -188.499055 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21:58:49 -188.503189 0.2304 BFGS: 6152 21:58:49 -188.483268 0.3647 BFGS: 6153 21:58:50 -188.499058 0.2397 BFGS: 6154 21:58:50 -188.487068 0.3560 BFGS: 6155 21:58:50 -188.503189 0.2304 BFGS: 6156 21:58:51 -188.483269 0.3647 BFGS: 6157 21:58:51 -188.499058 0.2397 BFGS: 6158 21:58:52 -188.487068 0.3560 BFGS: 6159 21:58:52 -188.503189 0.2304 BFGS: 6160 21:58:52 -188.483269 0.3647 BFGS: 6161 21:58:53 -188.499058 0.2397 BFGS: 6162 21:58:53 -188.487068 0.3560 BFGS: 6163 21:58:53 -188.503190 0.2304 BFGS: 6164 21:58:54 -188.483270 0.3647 BFGS: 6165 21:58:54 -188.499059 0.2397 BFGS: 6166 21:58:55 -188.487068 0.3560 BFGS: 6167 21:58:55 -188.503190 0.2305 BFGS: 6168 21:58:56 -188.483270 0.3647 BFGS: 6169 21:58:56 -188.499059 0.2397 BFGS: 6170 21:58:56 -188.487068 0.3560 BFGS: 6171 21:58:57 -188.503190 0.2305 BFGS: 6172 21:58:57 -188.483271 0.3647 BFGS: 6173 21:58:58 -188.499059 0.2397 BFGS: 6174 21:58:58 -188.487068 0.3560 BFGS: 6175 21:58:58 -188.503190 0.2305 BFGS: 6176 21:58:59 -188.483271 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21:59:15 -188.487069 0.3560 BFGS: 6203 21:59:15 -188.503192 0.2305 BFGS: 6204 21:59:16 -188.483275 0.3647 BFGS: 6205 21:59:16 -188.499062 0.2397 BFGS: 6206 21:59:16 -188.487070 0.3560 BFGS: 6207 21:59:17 -188.503192 0.2306 BFGS: 6208 21:59:17 -188.483275 0.3647 BFGS: 6209 21:59:17 -188.499062 0.2397 BFGS: 6210 21:59:17 -188.487070 0.3560 BFGS: 6211 21:59:17 -188.503192 0.2306 BFGS: 6212 21:59:17 -188.483276 0.3647 BFGS: 6213 21:59:18 -188.499063 0.2397 BFGS: 6214 21:59:18 -188.487070 0.3560 BFGS: 6215 21:59:19 -188.503192 0.2306 BFGS: 6216 21:59:19 -188.483276 0.3647 BFGS: 6217 21:59:20 -188.499063 0.2397 BFGS: 6218 21:59:20 -188.487070 0.3560 BFGS: 6219 21:59:21 -188.503192 0.2306 BFGS: 6220 21:59:21 -188.483277 0.3647 BFGS: 6221 21:59:21 -188.499063 0.2397 BFGS: 6222 21:59:22 -188.487070 0.3560 BFGS: 6223 21:59:22 -188.503192 0.2306 BFGS: 6224 21:59:23 -188.483277 0.3647 BFGS: 6225 21:59:23 -188.499063 0.2397 BFGS: 6226 21:59:24 -188.487070 0.3560 BFGS: 6227 21:59:24 -188.503193 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21:59:35 -188.499066 0.2397 BFGS: 6254 21:59:36 -188.487072 0.3560 BFGS: 6255 21:59:36 -188.503194 0.2307 BFGS: 6256 21:59:36 -188.483281 0.3647 BFGS: 6257 21:59:37 -188.499066 0.2397 BFGS: 6258 21:59:37 -188.487072 0.3560 BFGS: 6259 21:59:37 -188.503194 0.2307 BFGS: 6260 21:59:38 -188.483282 0.3647 BFGS: 6261 21:59:38 -188.499066 0.2397 BFGS: 6262 21:59:39 -188.487072 0.3560 BFGS: 6263 21:59:40 -188.503194 0.2307 BFGS: 6264 21:59:40 -188.483282 0.3647 BFGS: 6265 21:59:40 -188.499067 0.2397 BFGS: 6266 21:59:40 -188.487072 0.3560 BFGS: 6267 21:59:40 -188.503195 0.2307 BFGS: 6268 21:59:40 -188.483283 0.3647 BFGS: 6269 21:59:41 -188.499067 0.2397 BFGS: 6270 21:59:41 -188.487072 0.3560 BFGS: 6271 21:59:42 -188.503195 0.2307 BFGS: 6272 21:59:43 -188.483283 0.3647 BFGS: 6273 21:59:43 -188.499067 0.2397 BFGS: 6274 21:59:43 -188.487072 0.3560 BFGS: 6275 21:59:44 -188.503195 0.2307 BFGS: 6276 21:59:45 -188.483284 0.3647 BFGS: 6277 21:59:45 -188.499068 0.2397 BFGS: 6278 21:59:46 -188.487072 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22:00:00 -188.483287 0.3648 BFGS: 6305 22:00:01 -188.499070 0.2398 BFGS: 6306 22:00:01 -188.487074 0.3560 BFGS: 6307 22:00:02 -188.503196 0.2308 BFGS: 6308 22:00:02 -188.483288 0.3648 BFGS: 6309 22:00:03 -188.499070 0.2398 BFGS: 6310 22:00:03 -188.487074 0.3560 BFGS: 6311 22:00:04 -188.503197 0.2308 BFGS: 6312 22:00:04 -188.483288 0.3648 BFGS: 6313 22:00:04 -188.499071 0.2398 BFGS: 6314 22:00:04 -188.487074 0.3560 BFGS: 6315 22:00:04 -188.503197 0.2308 BFGS: 6316 22:00:04 -188.483289 0.3648 BFGS: 6317 22:00:04 -188.499071 0.2398 BFGS: 6318 22:00:04 -188.487074 0.3560 BFGS: 6319 22:00:04 -188.503197 0.2308 BFGS: 6320 22:00:04 -188.483289 0.3648 BFGS: 6321 22:00:05 -188.499071 0.2398 BFGS: 6322 22:00:05 -188.487074 0.3560 BFGS: 6323 22:00:06 -188.503197 0.2308 BFGS: 6324 22:00:07 -188.483290 0.3648 BFGS: 6325 22:00:07 -188.499072 0.2398 BFGS: 6326 22:00:07 -188.487074 0.3561 BFGS: 6327 22:00:08 -188.503197 0.2308 BFGS: 6328 22:00:08 -188.483290 0.3648 BFGS: 6329 22:00:09 -188.499072 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22:18:09 -188.503304 0.2355 BFGS: 8600 22:18:10 -188.483526 0.3660 BFGS: 8601 22:18:10 -188.499246 0.2415 BFGS: 8602 22:18:11 -188.487155 0.3571 BFGS: 8603 22:18:11 -188.503304 0.2355 BFGS: 8604 22:18:12 -188.483527 0.3660 BFGS: 8605 22:18:12 -188.499246 0.2415 BFGS: 8606 22:18:13 -188.487155 0.3571 BFGS: 8607 22:18:13 -188.503304 0.2355 BFGS: 8608 22:18:14 -188.483527 0.3660 BFGS: 8609 22:18:15 -188.499247 0.2415 BFGS: 8610 22:18:15 -188.487155 0.3571 BFGS: 8611 22:18:15 -188.503305 0.2355 BFGS: 8612 22:18:16 -188.483527 0.3660 BFGS: 8613 22:18:17 -188.499247 0.2415 BFGS: 8614 22:18:17 -188.487156 0.3571 BFGS: 8615 22:18:18 -188.503305 0.2355 BFGS: 8616 22:18:18 -188.483528 0.3660 BFGS: 8617 22:18:19 -188.499247 0.2415 BFGS: 8618 22:18:19 -188.487156 0.3571 BFGS: 8619 22:18:19 -188.503305 0.2355 BFGS: 8620 22:18:20 -188.483528 0.3660 BFGS: 8621 22:18:21 -188.499248 0.2415 BFGS: 8622 22:18:21 -188.487156 0.3571 BFGS: 8623 22:18:21 -188.503305 0.2355 BFGS: 8624 22:18:22 -188.483529 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22:18:56 -188.499253 0.2416 BFGS: 8702 22:18:56 -188.487158 0.3571 BFGS: 8703 22:18:56 -188.503309 0.2357 BFGS: 8704 22:18:56 -188.483535 0.3661 BFGS: 8705 22:18:56 -188.499254 0.2416 BFGS: 8706 22:18:56 -188.487158 0.3571 BFGS: 8707 22:18:56 -188.503309 0.2357 BFGS: 8708 22:18:57 -188.483536 0.3661 BFGS: 8709 22:18:57 -188.499254 0.2416 BFGS: 8710 22:18:57 -188.487159 0.3571 BFGS: 8711 22:18:58 -188.503309 0.2357 BFGS: 8712 22:18:58 -188.483536 0.3661 BFGS: 8713 22:18:59 -188.499254 0.2416 BFGS: 8714 22:18:59 -188.487159 0.3571 BFGS: 8715 22:19:00 -188.503310 0.2357 BFGS: 8716 22:19:00 -188.483536 0.3661 BFGS: 8717 22:19:01 -188.499255 0.2416 BFGS: 8718 22:19:02 -188.487159 0.3571 BFGS: 8719 22:19:02 -188.503310 0.2357 BFGS: 8720 22:19:03 -188.483537 0.3661 BFGS: 8721 22:19:03 -188.499255 0.2416 BFGS: 8722 22:19:04 -188.487159 0.3571 BFGS: 8723 22:19:04 -188.503310 0.2357 BFGS: 8724 22:19:05 -188.483537 0.3661 BFGS: 8725 22:19:05 -188.499255 0.2416 BFGS: 8726 22:19:06 -188.487159 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22:19:47 -188.503314 0.2359 BFGS: 8804 22:19:47 -188.483544 0.3661 BFGS: 8805 22:19:48 -188.499261 0.2417 BFGS: 8806 22:19:49 -188.487162 0.3572 BFGS: 8807 22:19:49 -188.503314 0.2359 BFGS: 8808 22:19:50 -188.483544 0.3661 BFGS: 8809 22:19:50 -188.499261 0.2417 BFGS: 8810 22:19:51 -188.487162 0.3572 BFGS: 8811 22:19:51 -188.503314 0.2359 BFGS: 8812 22:19:52 -188.483545 0.3661 BFGS: 8813 22:19:52 -188.499261 0.2417 BFGS: 8814 22:19:53 -188.487162 0.3572 BFGS: 8815 22:19:53 -188.503314 0.2359 BFGS: 8816 22:19:53 -188.483545 0.3661 BFGS: 8817 22:19:54 -188.499262 0.2417 BFGS: 8818 22:19:54 -188.487162 0.3572 BFGS: 8819 22:19:55 -188.503314 0.2359 BFGS: 8820 22:19:56 -188.483545 0.3661 BFGS: 8821 22:19:56 -188.499262 0.2417 BFGS: 8822 22:19:57 -188.487162 0.3572 BFGS: 8823 22:19:57 -188.503315 0.2359 BFGS: 8824 22:19:58 -188.483546 0.3661 BFGS: 8825 22:19:59 -188.499262 0.2417 BFGS: 8826 22:20:00 -188.487162 0.3572 BFGS: 8827 22:20:00 -188.503315 0.2359 BFGS: 8828 22:20:00 -188.483546 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0.3668 BFGS: 9645 22:27:27 -188.499320 0.2425 BFGS: 9646 22:27:27 -188.487187 0.3576 BFGS: 9647 22:27:27 -188.503353 0.2374 BFGS: 9648 22:27:27 -188.483611 0.3668 BFGS: 9649 22:27:27 -188.499320 0.2425 BFGS: 9650 22:27:27 -188.487187 0.3576 BFGS: 9651 22:27:27 -188.503353 0.2374 BFGS: 9652 22:27:28 -188.483611 0.3668 BFGS: 9653 22:27:28 -188.499320 0.2425 BFGS: 9654 22:27:29 -188.487187 0.3576 BFGS: 9655 22:27:29 -188.503353 0.2374 BFGS: 9656 22:27:30 -188.483612 0.3668 BFGS: 9657 22:27:30 -188.499320 0.2425 BFGS: 9658 22:27:31 -188.487188 0.3576 BFGS: 9659 22:27:31 -188.503354 0.2374 BFGS: 9660 22:27:32 -188.483612 0.3668 BFGS: 9661 22:27:32 -188.499321 0.2425 BFGS: 9662 22:27:33 -188.487188 0.3576 BFGS: 9663 22:27:33 -188.503354 0.2375 BFGS: 9664 22:27:34 -188.483612 0.3668 BFGS: 9665 22:27:35 -188.499321 0.2425 BFGS: 9666 22:27:35 -188.487188 0.3576 BFGS: 9667 22:27:36 -188.503354 0.2375 BFGS: 9668 22:27:37 -188.483613 0.3668 BFGS: 9669 22:27:37 -188.499321 0.2425 BFGS: 9670 22:27:38 -188.487188 0.3576 BFGS: 9671 22:27:39 -188.503354 0.2375 BFGS: 9672 22:27:40 -188.483613 0.3668 BFGS: 9673 22:27:40 -188.499322 0.2426 BFGS: 9674 22:27:41 -188.487188 0.3576 BFGS: 9675 22:27:42 -188.503354 0.2375 BFGS: 9676 22:27:42 -188.483613 0.3668 BFGS: 9677 22:27:43 -188.499322 0.2426 BFGS: 9678 22:27:44 -188.487188 0.3576 BFGS: 9679 22:27:45 -188.503355 0.2375 BFGS: 9680 22:27:45 -188.483614 0.3668 BFGS: 9681 22:27:46 -188.499322 0.2426 BFGS: 9682 22:27:46 -188.487188 0.3576 BFGS: 9683 22:27:47 -188.503355 0.2375 BFGS: 9684 22:27:47 -188.483614 0.3668 BFGS: 9685 22:27:48 -188.499322 0.2426 BFGS: 9686 22:27:48 -188.487188 0.3576 BFGS: 9687 22:27:49 -188.503355 0.2375 BFGS: 9688 22:27:49 -188.483614 0.3668 BFGS: 9689 22:27:50 -188.499323 0.2426 BFGS: 9690 22:27:50 -188.487188 0.3576 BFGS: 9691 22:27:50 -188.503355 0.2375 BFGS: 9692 22:27:50 -188.483614 0.3668 BFGS: 9693 22:27:51 -188.499323 0.2426 BFGS: 9694 22:27:52 -188.487189 0.3576 BFGS: 9695 22:27:52 -188.503355 0.2375 BFGS: 9696 22:27:52 -188.483615 0.3668 BFGS: 9697 22:27:53 -188.499323 0.2426 BFGS: 9698 22:27:53 -188.487189 0.3576 BFGS: 9699 22:27:53 -188.503356 0.2375 BFGS: 9700 22:27:53 -188.483615 0.3668 BFGS: 9701 22:27:54 -188.499323 0.2426 BFGS: 9702 22:27:55 -188.487189 0.3576 BFGS: 9703 22:27:55 -188.503356 0.2375 BFGS: 9704 22:27:56 -188.483615 0.3668 BFGS: 9705 22:27:56 -188.499324 0.2426 BFGS: 9706 22:27:57 -188.487189 0.3576 BFGS: 9707 22:27:57 -188.503356 0.2375 BFGS: 9708 22:27:58 -188.483616 0.3668 BFGS: 9709 22:27:58 -188.499324 0.2426 BFGS: 9710 22:27:58 -188.487189 0.3576 BFGS: 9711 22:27:58 -188.503356 0.2375 BFGS: 9712 22:27:58 -188.483616 0.3668 BFGS: 9713 22:27:59 -188.499324 0.2426 BFGS: 9714 22:28:00 -188.487189 0.3576 BFGS: 9715 22:28:00 -188.503356 0.2375 BFGS: 9716 22:28:01 -188.483616 0.3668 BFGS: 9717 22:28:01 -188.499325 0.2426 BFGS: 9718 22:28:02 -188.487189 0.3576 BFGS: 9719 22:28:02 -188.503356 0.2376 BFGS: 9720 22:28:03 -188.483617 0.3668 BFGS: 9721 22:28:03 -188.499325 0.2426 BFGS: 9722 22:28:04 -188.487189 0.3576 BFGS: 9723 22:28:04 -188.503357 0.2376 BFGS: 9724 22:28:05 -188.483617 0.3668 BFGS: 9725 22:28:06 -188.499325 0.2426 BFGS: 9726 22:28:07 -188.487190 0.3576 BFGS: 9727 22:28:07 -188.503357 0.2376 BFGS: 9728 22:28:08 -188.483617 0.3669 BFGS: 9729 22:28:09 -188.499325 0.2426 BFGS: 9730 22:28:09 -188.487190 0.3576 BFGS: 9731 22:28:10 -188.503357 0.2376 BFGS: 9732 22:28:11 -188.483617 0.3669 BFGS: 9733 22:28:11 -188.499326 0.2426 BFGS: 9734 22:28:12 -188.487190 0.3576 BFGS: 9735 22:28:12 -188.503357 0.2376 BFGS: 9736 22:28:13 -188.483618 0.3669 BFGS: 9737 22:28:14 -188.499326 0.2426 BFGS: 9738 22:28:14 -188.487190 0.3576 BFGS: 9739 22:28:15 -188.503357 0.2376 BFGS: 9740 22:28:16 -188.483618 0.3669 BFGS: 9741 22:28:17 -188.499326 0.2426 BFGS: 9742 22:28:17 -188.487190 0.3576 BFGS: 9743 22:28:18 -188.503358 0.2376 BFGS: 9744 22:28:18 -188.483618 0.3669 BFGS: 9745 22:28:19 -188.499326 0.2426 BFGS: 9746 22:28:19 -188.487190 0.3576 BFGS: 9747 22:28:20 -188.503358 0.2376 BFGS: 9748 22:28:20 -188.483619 0.3669 BFGS: 9749 22:28:21 -188.499327 0.2426 BFGS: 9750 22:28:21 -188.487190 0.3576 BFGS: 9751 22:28:22 -188.503358 0.2376 BFGS: 9752 22:28:22 -188.483619 0.3669 BFGS: 9753 22:28:23 -188.499327 0.2426 BFGS: 9754 22:28:23 -188.487190 0.3576 BFGS: 9755 22:28:23 -188.503358 0.2376 BFGS: 9756 22:28:24 -188.483619 0.3669 BFGS: 9757 22:28:24 -188.499327 0.2426 BFGS: 9758 22:28:25 -188.487190 0.3577 BFGS: 9759 22:28:26 -188.503358 0.2376 BFGS: 9760 22:28:26 -188.483620 0.3669 BFGS: 9761 22:28:27 -188.499328 0.2426 BFGS: 9762 22:28:27 -188.487191 0.3577 BFGS: 9763 22:28:28 -188.503359 0.2376 BFGS: 9764 22:28:28 -188.483620 0.3669 BFGS: 9765 22:28:29 -188.499328 0.2426 BFGS: 9766 22:28:29 -188.487191 0.3577 BFGS: 9767 22:28:31 -188.503359 0.2376 BFGS: 9768 22:28:31 -188.483620 0.3669 BFGS: 9769 22:28:32 -188.499328 0.2427 BFGS: 9770 22:28:33 -188.487191 0.3577 BFGS: 9771 22:28:33 -188.503359 0.2376 BFGS: 9772 22:28:34 -188.483620 0.3669 BFGS: 9773 22:28:34 -188.499328 0.2427 BFGS: 9774 22:28:35 -188.487191 0.3577 BFGS: 9775 22:28:35 -188.503359 0.2377 BFGS: 9776 22:28:36 -188.483621 0.3669 BFGS: 9777 22:28:37 -188.499329 0.2427 BFGS: 9778 22:28:37 -188.487191 0.3577 BFGS: 9779 22:28:38 -188.503359 0.2377 BFGS: 9780 22:28:39 -188.483621 0.3669 BFGS: 9781 22:28:40 -188.499329 0.2427 BFGS: 9782 22:28:40 -188.487191 0.3577 BFGS: 9783 22:28:41 -188.503359 0.2377 BFGS: 9784 22:28:42 -188.483621 0.3669 BFGS: 9785 22:28:42 -188.499329 0.2427 BFGS: 9786 22:28:43 -188.487191 0.3577 BFGS: 9787 22:28:43 -188.503360 0.2377 BFGS: 9788 22:28:44 -188.483622 0.3669 BFGS: 9789 22:28:45 -188.499329 0.2427 BFGS: 9790 22:28:45 -188.487191 0.3577 BFGS: 9791 22:28:46 -188.503360 0.2377 BFGS: 9792 22:28:46 -188.483622 0.3669 BFGS: 9793 22:28:47 -188.499330 0.2427 BFGS: 9794 22:28:47 -188.487191 0.3577 BFGS: 9795 22:28:48 -188.503360 0.2377 BFGS: 9796 22:28:49 -188.483622 0.3669 BFGS: 9797 22:28:49 -188.499330 0.2427 BFGS: 9798 22:28:49 -188.487192 0.3577 BFGS: 9799 22:28:50 -188.503360 0.2377 BFGS: 9800 22:28:50 -188.483623 0.3669 BFGS: 9801 22:28:51 -188.499330 0.2427 BFGS: 9802 22:28:51 -188.487192 0.3577 BFGS: 9803 22:28:52 -188.503360 0.2377 BFGS: 9804 22:28:52 -188.483623 0.3669 BFGS: 9805 22:28:53 -188.499331 0.2427 BFGS: 9806 22:28:54 -188.487192 0.3577 BFGS: 9807 22:28:54 -188.503361 0.2377 BFGS: 9808 22:28:55 -188.483623 0.3669 BFGS: 9809 22:28:56 -188.499331 0.2427 BFGS: 9810 22:28:57 -188.487192 0.3577 BFGS: 9811 22:28:57 -188.503361 0.2377 BFGS: 9812 22:28:58 -188.483623 0.3669 BFGS: 9813 22:28:59 -188.499331 0.2427 BFGS: 9814 22:28:59 -188.487192 0.3577 BFGS: 9815 22:28:59 -188.503361 0.2377 BFGS: 9816 22:29:00 -188.483624 0.3669 BFGS: 9817 22:29:01 -188.499331 0.2427 BFGS: 9818 22:29:01 -188.487192 0.3577 BFGS: 9819 22:29:01 -188.503361 0.2377 BFGS: 9820 22:29:01 -188.483624 0.3669 BFGS: 9821 22:29:01 -188.499332 0.2427 BFGS: 9822 22:29:02 -188.487192 0.3577 BFGS: 9823 22:29:03 -188.503361 0.2377 BFGS: 9824 22:29:03 -188.483624 0.3669 BFGS: 9825 22:29:04 -188.499332 0.2427 BFGS: 9826 22:29:05 -188.487192 0.3577 BFGS: 9827 22:29:05 -188.503361 0.2377 BFGS: 9828 22:29:05 -188.483625 0.3669 BFGS: 9829 22:29:06 -188.499332 0.2427 BFGS: 9830 22:29:06 -188.487193 0.3577 BFGS: 9831 22:29:07 -188.503362 0.2378 BFGS: 9832 22:29:07 -188.483625 0.3669 BFGS: 9833 22:29:07 -188.499332 0.2427 BFGS: 9834 22:29:08 -188.487193 0.3577 BFGS: 9835 22:29:09 -188.503362 0.2378 BFGS: 9836 22:29:09 -188.483625 0.3669 BFGS: 9837 22:29:10 -188.499333 0.2427 BFGS: 9838 22:29:11 -188.487193 0.3577 BFGS: 9839 22:29:11 -188.503362 0.2378 BFGS: 9840 22:29:11 -188.483625 0.3669 BFGS: 9841 22:29:11 -188.499333 0.2427 BFGS: 9842 22:29:12 -188.487193 0.3577 BFGS: 9843 22:29:12 -188.503362 0.2378 BFGS: 9844 22:29:13 -188.483626 0.3669 BFGS: 9845 22:29:13 -188.499333 0.2427 BFGS: 9846 22:29:14 -188.487193 0.3577 BFGS: 9847 22:29:14 -188.503362 0.2378 BFGS: 9848 22:29:15 -188.483626 0.3670 BFGS: 9849 22:29:15 -188.499334 0.2427 BFGS: 9850 22:29:15 -188.487193 0.3577 BFGS: 9851 22:29:16 -188.503363 0.2378 BFGS: 9852 22:29:16 -188.483626 0.3670 BFGS: 9853 22:29:17 -188.499334 0.2427 BFGS: 9854 22:29:17 -188.487193 0.3577 BFGS: 9855 22:29:18 -188.503363 0.2378 BFGS: 9856 22:29:18 -188.483627 0.3670 BFGS: 9857 22:29:19 -188.499334 0.2427 BFGS: 9858 22:29:20 -188.487193 0.3577 BFGS: 9859 22:29:21 -188.503363 0.2378 BFGS: 9860 22:29:21 -188.483627 0.3670 BFGS: 9861 22:29:22 -188.499334 0.2427 BFGS: 9862 22:29:22 -188.487193 0.3577 BFGS: 9863 22:29:23 -188.503363 0.2378 BFGS: 9864 22:29:24 -188.483627 0.3670 BFGS: 9865 22:29:24 -188.499335 0.2428 BFGS: 9866 22:29:25 -188.487194 0.3577 BFGS: 9867 22:29:26 -188.503363 0.2378 BFGS: 9868 22:29:26 -188.483628 0.3670 BFGS: 9869 22:29:27 -188.499335 0.2428 BFGS: 9870 22:29:28 -188.487194 0.3577 BFGS: 9871 22:29:28 -188.503364 0.2378 BFGS: 9872 22:29:29 -188.483628 0.3670 BFGS: 9873 22:29:29 -188.499335 0.2428 BFGS: 9874 22:29:30 -188.487194 0.3577 BFGS: 9875 22:29:30 -188.503364 0.2378 BFGS: 9876 22:29:31 -188.483628 0.3670 BFGS: 9877 22:29:32 -188.499335 0.2428 BFGS: 9878 22:29:32 -188.487194 0.3577 BFGS: 9879 22:29:33 -188.503364 0.2378 BFGS: 9880 22:29:33 -188.483628 0.3670 BFGS: 9881 22:29:34 -188.499336 0.2428 BFGS: 9882 22:29:34 -188.487194 0.3577 BFGS: 9883 22:29:35 -188.503364 0.2379 BFGS: 9884 22:29:35 -188.483629 0.3670 BFGS: 9885 22:29:36 -188.499336 0.2428 BFGS: 9886 22:29:37 -188.487194 0.3577 BFGS: 9887 22:29:37 -188.503364 0.2379 BFGS: 9888 22:29:38 -188.483629 0.3670 BFGS: 9889 22:29:38 -188.499336 0.2428 BFGS: 9890 22:29:39 -188.487194 0.3577 BFGS: 9891 22:29:40 -188.503364 0.2379 BFGS: 9892 22:29:40 -188.483629 0.3670 BFGS: 9893 22:29:41 -188.499337 0.2428 BFGS: 9894 22:29:41 -188.487194 0.3577 BFGS: 9895 22:29:42 -188.503365 0.2379 BFGS: 9896 22:29:43 -188.483630 0.3670 BFGS: 9897 22:29:44 -188.499337 0.2428 BFGS: 9898 22:29:45 -188.487194 0.3577 BFGS: 9899 22:29:45 -188.503365 0.2379 BFGS: 9900 22:29:46 -188.483630 0.3670 BFGS: 9901 22:29:46 -188.499337 0.2428 BFGS: 9902 22:29:47 -188.487195 0.3577 BFGS: 9903 22:29:48 -188.503365 0.2379 BFGS: 9904 22:29:49 -188.483630 0.3670 BFGS: 9905 22:29:49 -188.499337 0.2428 BFGS: 9906 22:29:50 -188.487195 0.3577 BFGS: 9907 22:29:51 -188.503365 0.2379 BFGS: 9908 22:29:51 -188.483630 0.3670 BFGS: 9909 22:29:52 -188.499338 0.2428 BFGS: 9910 22:29:53 -188.487195 0.3577 BFGS: 9911 22:29:53 -188.503365 0.2379 BFGS: 9912 22:29:54 -188.483631 0.3670 BFGS: 9913 22:29:54 -188.499338 0.2428 BFGS: 9914 22:29:55 -188.487195 0.3577 BFGS: 9915 22:29:55 -188.503366 0.2379 BFGS: 9916 22:29:56 -188.483631 0.3670 BFGS: 9917 22:29:56 -188.499338 0.2428 BFGS: 9918 22:29:57 -188.487195 0.3577 BFGS: 9919 22:29:57 -188.503366 0.2379 BFGS: 9920 22:29:58 -188.483631 0.3670 BFGS: 9921 22:29:59 -188.499338 0.2428 BFGS: 9922 22:29:59 -188.487195 0.3577 BFGS: 9923 22:29:59 -188.503366 0.2379 BFGS: 9924 22:30:00 -188.483632 0.3670 BFGS: 9925 22:30:00 -188.499339 0.2428 BFGS: 9926 22:30:01 -188.487195 0.3577 BFGS: 9927 22:30:01 -188.503366 0.2379 BFGS: 9928 22:30:02 -188.483632 0.3670 BFGS: 9929 22:30:03 -188.499339 0.2428 BFGS: 9930 22:30:04 -188.487195 0.3577 BFGS: 9931 22:30:04 -188.503366 0.2379 BFGS: 9932 22:30:05 -188.483632 0.3670 BFGS: 9933 22:30:05 -188.499339 0.2428 BFGS: 9934 22:30:06 -188.487196 0.3577 BFGS: 9935 22:30:06 -188.503367 0.2379 BFGS: 9936 22:30:07 -188.483633 0.3670 BFGS: 9937 22:30:07 -188.499340 0.2428 BFGS: 9938 22:30:08 -188.487196 0.3578 BFGS: 9939 22:30:08 -188.503367 0.2379 BFGS: 9940 22:30:09 -188.483633 0.3670 BFGS: 9941 22:30:09 -188.499340 0.2428 BFGS: 9942 22:30:09 -188.487196 0.3578 BFGS: 9943 22:30:09 -188.503367 0.2380 BFGS: 9944 22:30:09 -188.483633 0.3670 BFGS: 9945 22:30:11 -188.499340 0.2428 BFGS: 9946 22:30:12 -188.487196 0.3578 BFGS: 9947 22:30:12 -188.503367 0.2380 BFGS: 9948 22:30:13 -188.483633 0.3670 BFGS: 9949 22:30:13 -188.499340 0.2428 BFGS: 9950 22:30:14 -188.487196 0.3578 BFGS: 9951 22:30:15 -188.503367 0.2380 BFGS: 9952 22:30:16 -188.483634 0.3670 BFGS: 9953 22:30:16 -188.499341 0.2428 BFGS: 9954 22:30:17 -188.487196 0.3578 BFGS: 9955 22:30:17 -188.503367 0.2380 BFGS: 9956 22:30:18 -188.483634 0.3670 BFGS: 9957 22:30:18 -188.499341 0.2429 BFGS: 9958 22:30:19 -188.487196 0.3578 BFGS: 9959 22:30:20 -188.503368 0.2380 BFGS: 9960 22:30:20 -188.483634 0.3670 BFGS: 9961 22:30:21 -188.499341 0.2429 BFGS: 9962 22:30:21 -188.487196 0.3578 BFGS: 9963 22:30:22 -188.503368 0.2380 BFGS: 9964 22:30:22 -188.483635 0.3670 BFGS: 9965 22:30:23 -188.499341 0.2429 BFGS: 9966 22:30:23 -188.487196 0.3578 BFGS: 9967 22:30:24 -188.503368 0.2380 BFGS: 9968 22:30:25 -188.483635 0.3671 BFGS: 9969 22:30:25 -188.499342 0.2429 BFGS: 9970 22:30:26 -188.487197 0.3578 BFGS: 9971 22:30:26 -188.503368 0.2380 BFGS: 9972 22:30:27 -188.483635 0.3671 BFGS: 9973 22:30:28 -188.499342 0.2429 BFGS: 9974 22:30:28 -188.487197 0.3578 BFGS: 9975 22:30:28 -188.503368 0.2380 BFGS: 9976 22:30:29 -188.483635 0.3671 BFGS: 9977 22:30:30 -188.499342 0.2429 BFGS: 9978 22:30:30 -188.487197 0.3578 BFGS: 9979 22:30:31 -188.503369 0.2380 BFGS: 9980 22:30:31 -188.483636 0.3671 BFGS: 9981 22:30:32 -188.499343 0.2429 BFGS: 9982 22:30:32 -188.487197 0.3578 BFGS: 9983 22:30:33 -188.503369 0.2380 BFGS: 9984 22:30:33 -188.483636 0.3671 BFGS: 9985 22:30:34 -188.499343 0.2429 BFGS: 9986 22:30:34 -188.487197 0.3578 BFGS: 9987 22:30:35 -188.503369 0.2380 BFGS: 9988 22:30:35 -188.483636 0.3671 BFGS: 9989 22:30:36 -188.499343 0.2429 BFGS: 9990 22:30:37 -188.487197 0.3578 BFGS: 9991 22:30:37 -188.503369 0.2380 BFGS: 9992 22:30:37 -188.483637 0.3671 BFGS: 9993 22:30:38 -188.499343 0.2429 BFGS: 9994 22:30:38 -188.487197 0.3578 BFGS: 9995 22:30:39 -188.503369 0.2380 BFGS: 9996 22:30:40 -188.483637 0.3671 BFGS: 9997 22:30:40 -188.499344 0.2429 BFGS: 9998 22:30:41 -188.487197 0.3578 BFGS: 9999 22:30:41 -188.503369 0.2381 BFGS: 10000 22:30:42 -188.483637 0.3671 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.37673044508066994 eV/Angstrom Maximum stress component: 0.001051436556973803 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] basis = [[0.1138913 0.79533826 0.85477561] [0.3861087 0.20466174 0.35477561] [0.8861087 0.29533826 0.64522439] [0.6138913 0.70466174 0.14522439] [0.8861087 0.20466174 0.14522439] [0.6138913 0.79533826 0.64522439] [0.1138913 0.70466174 0.35477561] [0.3861087 0.29533826 0.85477561] [0.04247506 0.98046224 0.78144505] [0.45752494 0.01953776 0.28144505] [0.95752494 0.48046224 0.71855495] [0.54247506 0.51953776 0.21855495] [0.95752494 0.01953776 0.21855495] [0.54247506 0.98046224 0.71855495] [0.04247506 0.51953776 0.28144505] [0.45752494 0.48046224 0.78144505] [0.25405237 0.94918075 0.99359233] [0.24594763 0.05081925 0.49359233] [0.74594763 0.44918075 0.50640767] [0.75405237 0.55081925 0.00640767] [0.74594763 0.05081925 0.00640767] [0.75405237 0.94918075 0.50640767] [0.25405237 0.55081925 0.49359233] [0.24594763 0.44918075 0.99359233] [0.17744098 0.93004163 0.84571917] [0.32255902 0.06995837 0.34571917] [0.82255902 0.43004163 0.65428083] [0.67744098 0.56995837 0.15428083] [0.82255902 0.06995837 0.15428083] [0.67744098 0.93004163 0.65428083] [0.17744098 0.56995837 0.34571917] [0.32255902 0.43004163 0.84571917] [0.06168269 0.68906145 0.86014221] [0.43831731 0.31093855 0.36014221] [0.93831731 0.18906145 0.63985779] [0.56168269 0.81093855 0.13985779] [0.93831731 0.31093855 0.13985779] [0.56168269 0.68906145 0.63985779] [0.06168269 0.81093855 0.36014221] [0.43831731 0.18906145 0.86014221]] cellpar = Cell([[6.09534011002633, 2.09511432638642e-35, 0.0], [-7.942704448984572e-35, 9.926150663433456, 0.0], [0.0, 0.0, 6.173316185431473]]) forces = [[-0.37673045 0.06325042 -0.17870308] [ 0.37673045 -0.06325042 -0.17870308] [ 0.37673045 0.06325042 0.17870308] [-0.37673045 -0.06325042 0.17870308] [ 0.37673045 -0.06325042 0.17870308] [-0.37673045 0.06325042 0.17870308] [-0.37673045 -0.06325042 -0.17870308] [ 0.37673045 0.06325042 -0.17870308] [-0.00192404 -0.00458325 -0.00212532] [ 0.00192404 0.00458325 -0.00212532] [ 0.00192404 -0.00458325 0.00212532] [-0.00192404 0.00458325 0.00212532] [ 0.00192404 0.00458325 0.00212532] [-0.00192404 -0.00458325 0.00212532] [-0.00192404 0.00458325 -0.00212532] [ 0.00192404 -0.00458325 -0.00212532] [ 0.00101926 -0.00039204 -0.0012296 ] [-0.00101926 0.00039204 -0.0012296 ] [-0.00101926 -0.00039204 0.0012296 ] [ 0.00101926 0.00039204 0.0012296 ] [-0.00101926 0.00039204 0.0012296 ] [ 0.00101926 -0.00039204 0.0012296 ] [ 0.00101926 0.00039204 -0.0012296 ] [-0.00101926 -0.00039204 -0.0012296 ] [ 0.15495766 -0.04206555 0.07884195] [-0.15495766 0.04206555 0.07884195] [-0.15495766 -0.04206555 -0.07884195] [ 0.15495766 0.04206555 -0.07884195] [-0.15495766 0.04206555 -0.07884195] [ 0.15495766 -0.04206555 -0.07884195] [ 0.15495766 0.04206555 0.07884195] [-0.15495766 -0.04206555 0.07884195] [ 0.21608689 -0.03392295 0.10365843] [-0.21608689 0.03392295 0.10365843] [-0.21608689 -0.03392295 -0.10365843] [ 0.21608689 0.03392295 -0.10365843] [-0.21608689 0.03392295 -0.10365843] [ 0.21608689 -0.03392295 -0.10365843] [ 0.21608689 0.03392295 0.10365843] [-0.21608689 -0.03392295 0.10365843]] stress = [-5.48816671e-05 1.05143656e-03 7.34776592e-04 0.00000000e+00 0.00000000e+00 6.67561969e-30] energy per atom = -4.649683503500382 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0