element(s): ['H', 'N', 'O'] AFLOW prototype label: A5BC2_mP32_14_5e_e_2e Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.3111', '1.0775459', '0.97120946', '116.6292', '0.71040263', '0.51651052', '0.35950528', '0.78038042', '0.53315272', '0.12498055', '0.89293305', '0.70418709', '0.35198609', '0.59181625', '0.70766609', '0.148551', '0.24088291', '0.67787692', '0.22801382', '0.74438102', '0.61847141', '0.24609322', '0.32921857', '0.82276812', '0.9925924', '0.17492456', '0.67656514', '0.034102529'] model name: Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['H', 'H', 'H', 'H', 'H', 'N', 'O', 'O'] representative atom coordinates = [[0.28959737 0.51651052 0.93009209] [0.21961958 0.53315272 0.09463903] [0.10706695 0.70418709 0.75508086] [0.40818375 0.70766609 0.25963275] [0.75911709 0.67787692 0.53110327] [0.25561898 0.61847141 0.00952576] [0.67078143 0.82276812 0.67818903] [0.82507544 0.67656514 0.79097291]] spacegroup = 14 cell = [[10.5866, 0, 0], [0, 6.8005, 0], [-5.186548077924, 0, 3.2663838407913]] ========================================= Step Time Energy fmax BFGS: 0 16:13:43 -101.995780 11.486722 BFGS: 1 16:13:43 -106.270359 11.414001 BFGS: 2 16:13:44 -109.544125 5.699522 BFGS: 3 16:13:44 -112.323465 4.277735 BFGS: 4 16:13:45 -114.944444 6.096598 BFGS: 5 16:13:45 -117.142814 6.316239 BFGS: 6 16:13:46 -117.852544 5.287590 BFGS: 7 16:13:46 -118.948223 4.154472 BFGS: 8 16:13:47 -119.214769 3.717756 BFGS: 9 16:13:48 -119.432632 2.750393 BFGS: 10 16:13:48 -119.732570 1.822833 BFGS: 11 16:13:49 -119.995262 0.895605 BFGS: 12 16:13:49 -120.086114 0.877483 BFGS: 13 16:13:50 -120.153644 1.093389 BFGS: 14 16:13:51 -120.261433 0.890830 BFGS: 15 16:13:51 -120.313173 0.731792 BFGS: 16 16:13:51 -120.379946 0.552793 BFGS: 17 16:13:52 -120.462547 0.468234 BFGS: 18 16:13:52 -120.531433 0.448924 BFGS: 19 16:13:53 -120.583097 0.727429 BFGS: 20 16:13:53 -120.638749 0.455632 BFGS: 21 16:13:54 -120.666279 0.560842 BFGS: 22 16:13:54 -120.696976 0.348829 BFGS: 23 16:13:55 -120.737286 0.499584 BFGS: 24 16:13:55 -120.761383 0.456445 BFGS: 25 16:13:56 -120.793331 0.362294 BFGS: 26 16:13:56 -120.825818 0.296934 BFGS: 27 16:13:57 -120.850411 0.246505 BFGS: 28 16:13:57 -120.872026 0.212374 BFGS: 29 16:13:58 -120.891121 0.235745 BFGS: 30 16:13:58 -120.907406 0.231415 BFGS: 31 16:13:58 -120.922177 0.252244 BFGS: 32 16:13:59 -120.939838 0.333574 BFGS: 33 16:14:00 -120.953398 0.249480 BFGS: 34 16:14:00 -120.959753 0.213458 BFGS: 35 16:14:01 -120.968618 0.230125 BFGS: 36 16:14:01 -120.978969 0.262448 BFGS: 37 16:14:02 -120.998804 0.300026 BFGS: 38 16:14:02 -121.009228 0.365950 BFGS: 39 16:14:03 -121.019274 0.471351 BFGS: 40 16:14:03 -120.778308 3.641488 BFGS: 41 16:14:04 -120.840118 3.557817 BFGS: 42 16:14:04 -120.967762 3.046235 BFGS: 43 16:14:05 -121.008388 3.033157 BFGS: 44 16:14:05 -121.053862 3.034352 BFGS: 45 16:14:06 -121.094298 3.051733 BFGS: 46 16:14:06 -121.135997 3.044316 BFGS: 47 16:14:07 -121.176825 3.001864 BFGS: 48 16:14:07 -121.239770 2.877344 BFGS: 49 16:14:08 -121.299885 2.661664 BFGS: 50 16:14:08 -121.349542 2.495259 BFGS: 51 16:14:08 -121.416723 2.114552 BFGS: 52 16:14:09 -121.460942 1.913090 BFGS: 53 16:14:09 -121.529127 1.398102 BFGS: 54 16:14:10 -121.567227 1.223979 BFGS: 55 16:14:11 -121.607117 1.059751 BFGS: 56 16:14:11 -121.638058 0.895947 BFGS: 57 16:14:12 -121.672541 0.723990 BFGS: 58 16:14:12 -121.698214 0.590900 BFGS: 59 16:14:13 -121.728481 0.512904 BFGS: 60 16:14:13 -121.754422 0.429402 BFGS: 61 16:14:13 -121.770352 0.543438 BFGS: 62 16:14:14 -121.776891 0.612006 BFGS: 63 16:14:14 -121.786881 0.572039 BFGS: 64 16:14:15 -121.798803 0.325050 BFGS: 65 16:14:15 -121.795007 0.258065 BFGS: 66 16:14:16 -121.813119 0.216382 BFGS: 67 16:14:16 -121.820722 0.237547 BFGS: 68 16:14:17 -121.834969 0.257563 BFGS: 69 16:14:18 -121.841917 0.251489 BFGS: 70 16:14:18 -121.841373 0.226337 BFGS: 71 16:14:18 -121.856925 0.233553 BFGS: 72 16:14:19 -121.863740 0.213867 BFGS: 73 16:14:19 -121.870799 0.203345 BFGS: 74 16:14:20 -121.884970 0.198740 BFGS: 75 16:14:20 -121.891612 0.179236 BFGS: 76 16:14:21 -121.897442 0.316217 BFGS: 77 16:14:22 -121.915382 0.358437 BFGS: 78 16:14:22 -121.930282 0.417445 BFGS: 79 16:14:23 -121.944291 0.400650 BFGS: 80 16:14:24 -121.970729 0.382424 BFGS: 81 16:14:24 -121.979760 0.366669 BFGS: 82 16:14:25 -121.999829 0.366803 BFGS: 83 16:14:26 -122.011240 0.393859 BFGS: 84 16:14:26 -122.025568 0.393951 BFGS: 85 16:14:27 -122.041038 0.405670 BFGS: 86 16:14:28 -122.053493 0.415941 BFGS: 87 16:14:28 -122.064229 0.420854 BFGS: 88 16:14:29 -122.081792 0.425373 BFGS: 89 16:14:30 -122.092998 0.425723 BFGS: 90 16:14:30 -122.106792 0.411931 BFGS: 91 16:14:30 -122.119188 0.399701 BFGS: 92 16:14:31 -122.134314 0.383625 BFGS: 93 16:14:32 -122.155606 0.360686 BFGS: 94 16:14:32 -122.167203 0.363270 BFGS: 95 16:14:33 -122.187620 0.351999 BFGS: 96 16:14:33 -122.199522 0.349770 BFGS: 97 16:14:34 -122.216275 0.389493 BFGS: 98 16:14:35 -122.223442 0.409886 BFGS: 99 16:14:35 -122.244140 0.477604 BFGS: 100 16:14:36 -122.263381 0.459622 BFGS: 101 16:14:36 -122.269608 0.477957 BFGS: 102 16:14:37 -122.290055 0.488649 BFGS: 103 16:14:38 -122.304047 0.322087 BFGS: 104 16:14:39 -122.327528 0.369773 BFGS: 105 16:14:39 -122.346182 0.345154 BFGS: 106 16:14:40 -122.404811 0.322553 BFGS: 107 16:14:41 -122.420970 0.390832 BFGS: 108 16:14:42 -122.424634 0.434947 BFGS: 109 16:14:43 -122.438798 0.357513 BFGS: 110 16:14:43 -122.452469 0.425063 BFGS: 111 16:14:44 -122.467134 0.423553 BFGS: 112 16:14:45 -122.488329 0.415651 BFGS: 113 16:14:46 -122.506715 0.332712 BFGS: 114 16:14:46 -122.526131 0.288418 BFGS: 115 16:14:46 -122.539266 0.277450 BFGS: 116 16:14:47 -122.567303 0.233332 BFGS: 117 16:14:48 -122.586944 0.228894 BFGS: 118 16:14:48 -122.603929 0.196804 BFGS: 119 16:14:49 -122.613439 0.147322 BFGS: 120 16:14:50 -122.620539 0.165523 BFGS: 121 16:14:50 -122.622604 0.112879 BFGS: 122 16:14:51 -122.624943 0.110043 BFGS: 123 16:14:51 -122.629590 0.149998 BFGS: 124 16:14:52 -122.639017 0.173192 BFGS: 125 16:14:52 -122.649248 0.172858 BFGS: 126 16:14:53 -122.659213 0.184453 BFGS: 127 16:14:54 -122.674138 0.270477 BFGS: 128 16:14:55 -122.690183 0.307436 BFGS: 129 16:14:55 -122.701150 0.289707 BFGS: 130 16:14:56 -122.703208 0.222811 BFGS: 131 16:14:56 -122.714659 0.238180 BFGS: 132 16:14:57 -122.737153 0.231821 BFGS: 133 16:14:58 -122.756113 0.205552 BFGS: 134 16:14:58 -122.782166 0.290425 BFGS: 135 16:14:59 -122.793964 0.333705 BFGS: 136 16:14:59 -122.804777 0.355554 BFGS: 137 16:15:00 -122.814509 0.348580 BFGS: 138 16:15:01 -122.823836 0.303518 BFGS: 139 16:15:01 -122.831529 0.237388 BFGS: 140 16:15:01 -122.838313 0.128855 BFGS: 141 16:15:02 -122.841182 0.158964 BFGS: 142 16:15:03 -122.844297 0.120490 BFGS: 143 16:15:03 -122.848484 0.135270 BFGS: 144 16:15:04 -122.862349 0.193704 BFGS: 145 16:15:04 -122.873713 0.146928 BFGS: 146 16:15:04 -122.885368 0.189614 BFGS: 147 16:15:04 -122.900685 0.180648 BFGS: 148 16:15:05 -122.909420 0.163402 BFGS: 149 16:15:05 -122.913707 0.206205 BFGS: 150 16:15:05 -122.918218 0.186581 BFGS: 151 16:15:06 -122.901988 0.183999 BFGS: 152 16:15:07 -122.911436 0.210346 BFGS: 153 16:15:08 -122.915547 0.215862 BFGS: 154 16:15:08 -122.919432 0.178138 BFGS: 155 16:15:09 -122.927491 0.151869 BFGS: 156 16:15:10 -122.938978 0.158670 BFGS: 157 16:15:10 -122.946990 0.166106 BFGS: 158 16:15:11 -122.952982 0.174655 BFGS: 159 16:15:12 -122.959766 0.180697 BFGS: 160 16:15:12 -122.969725 0.185065 BFGS: 161 16:15:13 -122.976264 0.192382 BFGS: 162 16:15:13 -122.980661 0.181942 BFGS: 163 16:15:14 -122.986194 0.171246 BFGS: 164 16:15:15 -122.991596 0.155292 BFGS: 165 16:15:16 -122.996587 0.137389 BFGS: 166 16:15:17 -122.996119 0.121510 BFGS: 167 16:15:18 -123.003520 0.123863 BFGS: 168 16:15:19 -123.007746 0.125496 BFGS: 169 16:15:19 -123.011794 0.129366 BFGS: 170 16:15:20 -123.021791 0.137378 BFGS: 171 16:15:20 -123.016556 0.149166 BFGS: 172 16:15:20 -123.031127 0.154867 BFGS: 173 16:15:21 -123.026168 0.159167 BFGS: 174 16:15:22 -123.031806 0.181351 BFGS: 175 16:15:23 -123.054697 0.185004 BFGS: 176 16:15:23 -123.054528 0.205175 BFGS: 177 16:15:24 -123.059640 0.219901 BFGS: 178 16:15:25 -123.070314 0.223732 BFGS: 179 16:15:25 -123.078703 0.236853 BFGS: 180 16:15:26 -123.086517 0.242425 BFGS: 181 16:15:27 -123.094981 0.226322 BFGS: 182 16:15:27 -123.105664 0.215285 BFGS: 183 16:15:28 -123.111561 0.116518 BFGS: 184 16:15:28 -123.111509 0.144572 BFGS: 185 16:15:29 -123.111107 0.138338 BFGS: 186 16:15:30 -123.114762 0.125203 BFGS: 187 16:15:31 -123.116376 0.085765 BFGS: 188 16:15:32 -123.112558 0.106035 BFGS: 189 16:15:32 -123.117769 0.136509 BFGS: 190 16:15:33 -123.122435 0.164786 BFGS: 191 16:15:34 -123.127463 0.172152 BFGS: 192 16:15:35 -123.133477 0.171589 BFGS: 193 16:15:36 -123.129583 0.159765 BFGS: 194 16:15:36 -123.134043 0.143771 BFGS: 195 16:15:37 -123.138187 0.130703 BFGS: 196 16:15:37 -123.142592 0.112567 BFGS: 197 16:15:38 -123.152217 0.099008 BFGS: 198 16:15:39 -123.155270 0.095211 BFGS: 199 16:15:40 -123.158132 0.083328 BFGS: 200 16:15:40 -123.160830 0.084097 BFGS: 201 16:15:41 -123.167337 0.079705 BFGS: 202 16:15:42 -123.176239 0.086055 BFGS: 203 16:15:43 -123.178657 0.086791 BFGS: 204 16:15:44 -123.185013 0.091988 BFGS: 205 16:15:44 -123.186479 0.097426 BFGS: 206 16:15:44 -123.192797 0.095961 BFGS: 207 16:15:45 -123.194260 0.100855 BFGS: 208 16:15:46 -123.198525 0.108948 BFGS: 209 16:15:47 -123.201479 0.119114 BFGS: 210 16:15:47 -123.196492 0.134373 BFGS: 211 16:15:48 -123.199370 0.111751 BFGS: 212 16:15:49 -123.200574 0.078773 BFGS: 213 16:15:49 -123.197796 0.063757 BFGS: 214 16:15:49 -123.198234 0.040843 BFGS: 215 16:15:50 -123.199296 0.024319 BFGS: 216 16:15:51 -123.203045 0.018177 BFGS: 217 16:15:52 -123.203470 0.015931 BFGS: 218 16:15:52 -123.203535 0.016022 BFGS: 219 16:15:53 -123.203585 0.015024 BFGS: 220 16:15:54 -123.203617 0.014100 BFGS: 221 16:15:55 -123.203644 0.014890 BFGS: 222 16:15:56 -123.205175 0.022860 BFGS: 223 16:15:56 -123.203559 0.023078 BFGS: 224 16:15:57 -123.203758 0.017134 BFGS: 225 16:15:58 -123.203821 0.015008 BFGS: 226 16:15:59 -123.205499 0.020738 BFGS: 227 16:16:00 -123.205826 0.018718 BFGS: 228 16:16:01 -123.206339 0.021169 BFGS: 229 16:16:02 -123.207168 0.022654 BFGS: 230 16:16:02 -123.207477 0.018603 BFGS: 231 16:16:03 -123.207634 0.013149 BFGS: 232 16:16:03 -123.207679 0.009996 BFGS: 233 16:16:04 -123.207697 0.009346 BFGS: 234 16:16:05 -123.207710 0.008574 BFGS: 235 16:16:06 -123.207715 0.007801 BFGS: 236 16:16:07 -123.207719 0.008373 BFGS: 237 16:16:08 -123.207722 0.011948 BFGS: 238 16:16:09 -123.207732 0.015568 BFGS: 239 16:16:10 -123.207755 0.019645 BFGS: 240 16:16:11 -123.207811 0.023056 BFGS: 241 16:16:12 -123.207928 0.024816 BFGS: 242 16:16:13 -123.206559 0.037522 BFGS: 243 16:16:13 -123.211381 0.035153 BFGS: 244 16:16:14 -123.208144 0.037138 BFGS: 245 16:16:15 -123.208659 0.053926 BFGS: 246 16:16:16 -123.215473 0.050792 BFGS: 247 16:16:16 -123.219308 0.038619 BFGS: 248 16:16:18 -123.222425 0.030912 BFGS: 249 16:16:18 -123.224252 0.030868 BFGS: 250 16:16:19 -123.225605 0.028021 BFGS: 251 16:16:19 -123.224424 0.011071 BFGS: 252 16:16:20 -123.225730 0.008468 BFGS: 253 16:16:21 -123.225759 0.006405 BFGS: 254 16:16:22 -123.225760 0.006092 BFGS: 255 16:16:23 -123.224489 0.006628 BFGS: 256 16:16:24 -123.225756 0.006320 BFGS: 257 16:16:25 -123.225758 0.006239 BFGS: 258 16:16:25 -123.224497 0.006402 BFGS: 259 16:16:26 -123.225763 0.006115 BFGS: 260 16:16:27 -123.225764 0.006097 BFGS: 261 16:16:28 -123.224488 0.006726 BFGS: 262 16:16:29 -123.224492 0.006508 BFGS: 263 16:16:30 -123.225741 0.006494 BFGS: 264 16:16:31 -123.225759 0.006185 BFGS: 265 16:16:31 -123.224481 0.007353 BFGS: 266 16:16:32 -123.224493 0.006515 BFGS: 267 16:16:33 -123.225733 0.006611 BFGS: 268 16:16:34 -123.225758 0.006197 BFGS: 269 16:16:35 -123.224475 0.008096 BFGS: 270 16:16:35 -123.224494 0.006506 BFGS: 271 16:16:36 -123.226365 0.006795 BFGS: 272 16:16:36 -123.225755 0.006275 BFGS: 273 16:16:37 -123.221782 0.025278 BFGS: 274 16:16:38 -123.224497 0.006533 BFGS: 275 16:16:38 -123.225754 0.006255 BFGS: 276 16:16:39 -123.225762 0.006149 BFGS: 277 16:16:40 -123.224466 0.008177 BFGS: 278 16:16:41 -123.224493 0.006462 BFGS: 279 16:16:41 -123.226360 0.006974 BFGS: 280 16:16:42 -123.225757 0.006242 BFGS: 281 16:16:43 -123.221824 0.021934 BFGS: 282 16:16:44 -123.224499 0.006537 BFGS: 283 16:16:45 -123.225756 0.006222 BFGS: 284 16:16:46 -123.225764 0.006139 BFGS: 285 16:16:47 -123.224460 0.008453 BFGS: 286 16:16:47 -123.224494 0.006425 BFGS: 287 16:16:48 -123.226358 0.007090 BFGS: 288 16:16:49 -123.225758 0.006220 BFGS: 289 16:16:49 -123.221821 0.020747 BFGS: 290 16:16:50 -123.224501 0.006517 BFGS: 291 16:16:51 -123.225759 0.006203 BFGS: 292 16:16:51 -123.225766 0.006118 BFGS: 293 16:16:52 -123.224457 0.008608 BFGS: 294 16:16:52 -123.224494 0.006389 BFGS: 295 16:16:53 -123.226360 0.007122 BFGS: 296 16:16:53 -123.225761 0.006196 BFGS: 297 16:16:54 -123.221816 0.019966 BFGS: 298 16:16:54 -123.224503 0.006489 BFGS: 299 16:16:55 -123.225762 0.006177 BFGS: 300 16:16:56 -123.225769 0.006089 BFGS: 301 16:16:57 -123.224456 0.008692 BFGS: 302 16:16:58 -123.224495 0.006353 BFGS: 303 16:16:58 -123.226362 0.007098 BFGS: 304 16:16:59 -123.225764 0.006167 BFGS: 305 16:17:00 -123.221809 0.019471 BFGS: 306 16:17:01 -123.224505 0.006456 BFGS: 307 16:17:01 -123.225765 0.006144 BFGS: 308 16:17:02 -123.225773 0.006054 BFGS: 309 16:17:03 -123.224455 0.008748 BFGS: 310 16:17:04 -123.224497 0.006314 BFGS: 311 16:17:04 -123.226366 0.007045 BFGS: 312 16:17:05 -123.225768 0.006132 BFGS: 313 16:17:06 -123.221802 0.019175 BFGS: 314 16:17:07 -123.224506 0.006416 BFGS: 315 16:17:08 -123.225769 0.006105 BFGS: 316 16:17:09 -123.225777 0.006013 BFGS: 317 16:17:10 -123.224456 0.008801 BFGS: 318 16:17:11 -123.224499 0.006269 BFGS: 319 16:17:11 -123.226371 0.006976 BFGS: 320 16:17:12 -123.225773 0.006090 BFGS: 321 16:17:13 -123.221795 0.019032 BFGS: 322 16:17:13 -123.224509 0.006369 BFGS: 323 16:17:14 -123.225774 0.006059 BFGS: 324 16:17:14 -123.225781 0.005963 BFGS: 325 16:17:15 -123.224457 0.008867 BFGS: 326 16:17:16 -123.224501 0.006216 BFGS: 327 16:17:17 -123.226377 0.006893 BFGS: 328 16:17:18 -123.225778 0.006037 BFGS: 329 16:17:18 -123.221786 0.019016 BFGS: 330 16:17:18 -123.224511 0.006312 BFGS: 331 16:17:19 -123.225780 0.006001 BFGS: 332 16:17:20 -123.225787 0.005903 BFGS: 333 16:17:21 -123.224460 0.008961 BFGS: 334 16:17:21 -123.224504 0.006149 BFGS: 335 16:17:22 -123.226384 0.006794 BFGS: 336 16:17:23 -123.225785 0.005968 BFGS: 337 16:17:23 -123.221776 0.019127 BFGS: 338 16:17:24 -123.224515 0.006237 BFGS: 339 16:17:25 -123.225788 0.005926 BFGS: 340 16:17:25 -123.224523 0.006290 BFGS: 341 16:17:26 -123.225793 0.005853 BFGS: 342 16:17:27 -123.225796 0.005837 BFGS: 343 16:17:27 -123.224565 0.011790 BFGS: 344 16:17:28 -123.224578 0.010028 BFGS: 345 16:17:29 -123.224688 0.011212 BFGS: 346 16:17:30 -123.224766 0.019085 BFGS: 347 16:17:31 -123.226721 0.024608 BFGS: 348 16:17:31 -123.228885 0.014850 BFGS: 349 16:17:32 -123.222930 0.007811 BFGS: 350 16:17:33 -123.225231 0.012717 BFGS: 351 16:17:34 -123.225357 0.006359 BFGS: 352 16:17:35 -123.223023 0.003667 BFGS: 353 16:17:35 -123.223039 0.003924 BFGS: 354 16:17:36 -123.225301 0.008850 BFGS: 355 16:17:37 -123.223036 0.003409 BFGS: 356 16:17:38 -123.225378 0.004954 BFGS: 357 16:17:38 -123.225421 0.005118 BFGS: 358 16:17:39 -123.220883 0.004372 BFGS: 359 16:17:40 -123.223038 0.003088 BFGS: 360 16:17:41 -123.225339 0.006154 BFGS: 361 16:17:41 -123.223034 0.002537 BFGS: 362 16:17:42 -123.225425 0.005709 BFGS: 363 16:17:42 -123.223038 0.002487 BFGS: 364 16:17:43 -123.223041 0.002507 BFGS: 365 16:17:43 -123.223948 0.004249 BFGS: 366 16:17:44 -123.225377 0.005449 BFGS: 367 16:17:45 -123.220882 0.003836 BFGS: 368 16:17:46 -123.223044 0.003144 BFGS: 369 16:17:46 -123.225325 0.005187 BFGS: 370 16:17:47 -123.223044 0.002445 BFGS: 371 16:17:48 -123.225387 0.005627 BFGS: 372 16:17:48 -123.225429 0.005445 BFGS: 373 16:17:49 -123.220861 0.005712 BFGS: 374 16:17:49 -123.223034 0.003704 BFGS: 375 16:17:50 -123.225345 0.005844 BFGS: 376 16:17:51 -123.223040 0.002663 BFGS: 377 16:17:52 -123.225427 0.005624 BFGS: 378 16:17:52 -123.223044 0.002526 BFGS: 379 16:17:53 -123.223046 0.002493 BFGS: 380 16:17:54 -123.223943 0.005033 BFGS: 381 16:17:55 -123.225377 0.005659 BFGS: 382 16:17:56 -123.220885 0.004608 BFGS: 383 16:17:57 -123.223048 0.003026 BFGS: 384 16:17:57 -123.225314 0.010816 BFGS: 385 16:17:58 -123.223007 0.016552 BFGS: 386 16:17:59 -123.225388 0.015058 BFGS: 387 16:17:59 -123.225435 0.005126 BFGS: 388 16:18:00 -123.223034 0.010495 BFGS: 389 16:18:01 -123.223063 0.005060 BFGS: 390 16:18:02 -123.225365 0.008405 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BFGS: 766 16:22:38 -123.225429 0.005572 BFGS: 767 16:22:38 -123.222979 0.007656 BFGS: 768 16:22:38 -123.223044 0.004688 BFGS: 769 16:22:39 -123.223964 0.006943 BFGS: 770 16:22:39 -123.223041 0.002614 BFGS: 771 16:22:40 -123.225379 0.005724 BFGS: 772 16:22:41 -123.223042 0.002326 BFGS: 773 16:22:42 -123.225423 0.005731 BFGS: 774 16:22:43 -123.225428 0.005558 BFGS: 775 16:22:43 -123.222979 0.009770 BFGS: 776 16:22:44 -123.223044 0.004988 BFGS: 777 16:22:45 -123.223966 0.008444 BFGS: 778 16:22:46 -123.223041 0.002594 BFGS: 779 16:22:47 -123.225379 0.006037 BFGS: 780 16:22:48 -123.225429 0.005614 BFGS: 781 16:22:49 -123.222978 0.008473 BFGS: 782 16:22:50 -123.223044 0.004833 BFGS: 783 16:22:50 -123.223964 0.007624 BFGS: 784 16:22:51 -123.223041 0.002573 BFGS: 785 16:22:52 -123.225378 0.005894 BFGS: 786 16:22:53 -123.225429 0.005583 BFGS: 787 16:22:53 -123.222979 0.007670 BFGS: 788 16:22:54 -123.223044 0.004689 BFGS: 789 16:22:55 -123.223963 0.006966 BFGS: 790 16:22:56 -123.223041 0.002601 BFGS: 791 16:22:57 -123.225379 0.005736 BFGS: 792 16:22:57 -123.225430 0.005504 BFGS: 793 16:22:58 -123.222980 0.007079 BFGS: 794 16:22:59 -123.223045 0.004601 BFGS: 795 16:23:00 -123.223964 0.006420 BFGS: 796 16:23:01 -123.223040 0.002655 BFGS: 797 16:23:02 -123.225380 0.005591 BFGS: 798 16:23:02 -123.223041 0.002411 BFGS: 799 16:23:03 -123.225423 0.005675 BFGS: 800 16:23:04 -123.225428 0.005491 BFGS: 801 16:23:04 -123.222979 0.009838 BFGS: 802 16:23:05 -123.223044 0.004999 BFGS: 803 16:23:05 -123.223966 0.008449 BFGS: 804 16:23:06 -123.223041 0.002609 BFGS: 805 16:23:06 -123.225379 0.006025 BFGS: 806 16:23:06 -123.225429 0.005594 BFGS: 807 16:23:07 -123.222978 0.008458 BFGS: 808 16:23:07 -123.223044 0.004835 BFGS: 809 16:23:07 -123.223964 0.007598 BFGS: 810 16:23:07 -123.223041 0.002577 BFGS: 811 16:23:07 -123.225379 0.005886 BFGS: 812 16:23:08 -123.225429 0.005572 BFGS: 813 16:23:08 -123.222979 0.007650 BFGS: 814 16:23:09 -123.223044 0.004691 BFGS: 815 16:23:09 -123.223963 0.006933 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BFGS: 841 16:23:29 -123.223963 0.006421 BFGS: 842 16:23:30 -123.223041 0.002632 BFGS: 843 16:23:31 -123.225379 0.005602 BFGS: 844 16:23:32 -123.223042 0.002396 BFGS: 845 16:23:33 -123.225423 0.005686 BFGS: 846 16:23:33 -123.225428 0.005501 BFGS: 847 16:23:34 -123.222980 0.009876 BFGS: 848 16:23:35 -123.223044 0.004997 BFGS: 849 16:23:36 -123.223966 0.008496 BFGS: 850 16:23:37 -123.223041 0.002593 BFGS: 851 16:23:37 -123.225379 0.006049 BFGS: 852 16:23:37 -123.225429 0.005607 BFGS: 853 16:23:38 -123.222979 0.008504 BFGS: 854 16:23:38 -123.223044 0.004842 BFGS: 855 16:23:38 -123.223964 0.007647 BFGS: 856 16:23:39 -123.223041 0.002559 BFGS: 857 16:23:40 -123.225379 0.005909 BFGS: 858 16:23:41 -123.225429 0.005587 BFGS: 859 16:23:42 -123.222980 0.007673 BFGS: 860 16:23:42 -123.223044 0.004696 BFGS: 861 16:23:42 -123.223963 0.006957 BFGS: 862 16:23:43 -123.223041 0.002582 BFGS: 863 16:23:44 -123.225379 0.005746 BFGS: 864 16:23:45 -123.225430 0.005511 BFGS: 865 16:23:46 -123.222981 0.007026 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-123.225275 0.006486 BFGS: 1819 16:35:22 -123.223043 0.002643 BFGS: 1820 16:35:23 -123.225407 0.005608 BFGS: 1821 16:35:24 -123.225428 0.005357 BFGS: 1822 16:35:24 -123.223000 0.005901 BFGS: 1823 16:35:25 -123.223050 0.003920 BFGS: 1824 16:35:26 -123.225286 0.006516 BFGS: 1825 16:35:27 -123.223042 0.002770 BFGS: 1826 16:35:28 -123.225414 0.005550 BFGS: 1827 16:35:29 -123.223043 0.002561 BFGS: 1828 16:35:29 -123.225429 0.005363 BFGS: 1829 16:35:30 -123.223043 0.002528 BFGS: 1830 16:35:31 -123.223043 0.002508 BFGS: 1831 16:35:31 -123.225276 0.006325 BFGS: 1832 16:35:32 -123.225378 0.005586 BFGS: 1833 16:35:33 -123.223015 0.005119 BFGS: 1834 16:35:33 -123.223055 0.003541 BFGS: 1835 16:35:34 -123.225274 0.006363 BFGS: 1836 16:35:34 -123.223043 0.002635 BFGS: 1837 16:35:35 -123.225407 0.005587 BFGS: 1838 16:35:35 -123.225428 0.005356 BFGS: 1839 16:35:36 -123.223001 0.005770 BFGS: 1840 16:35:36 -123.223050 0.003876 BFGS: 1841 16:35:36 -123.225285 0.006424 BFGS: 1842 16:35:37 -123.223042 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1867 16:35:55 -123.223015 0.005198 BFGS: 1868 16:35:56 -123.223055 0.003574 BFGS: 1869 16:35:57 -123.225274 0.006385 BFGS: 1870 16:35:58 -123.223043 0.002647 BFGS: 1871 16:35:58 -123.225407 0.005585 BFGS: 1872 16:35:59 -123.225429 0.005347 BFGS: 1873 16:36:00 -123.223000 0.005849 BFGS: 1874 16:36:01 -123.223050 0.003911 BFGS: 1875 16:36:02 -123.225285 0.006446 BFGS: 1876 16:36:02 -123.223042 0.002786 BFGS: 1877 16:36:03 -123.225414 0.005527 BFGS: 1878 16:36:04 -123.223043 0.002578 BFGS: 1879 16:36:05 -123.225429 0.005346 BFGS: 1880 16:36:06 -123.223043 0.002543 BFGS: 1881 16:36:07 -123.223043 0.002523 BFGS: 1882 16:36:07 -123.225276 0.006369 BFGS: 1883 16:36:08 -123.225378 0.005586 BFGS: 1884 16:36:08 -123.223015 0.005242 BFGS: 1885 16:36:09 -123.223055 0.003592 BFGS: 1886 16:36:10 -123.225274 0.006408 BFGS: 1887 16:36:11 -123.223043 0.002651 BFGS: 1888 16:36:12 -123.225407 0.005588 BFGS: 1889 16:36:12 -123.225429 0.005346 BFGS: 1890 16:36:13 -123.223000 0.005894 BFGS: 1891 16:36:14 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-123.225276 0.006621 BFGS: 9703 17:18:16 -123.225405 0.005668 BFGS: 9704 17:18:16 -123.223023 0.005206 BFGS: 9705 17:18:17 -123.223056 0.003587 BFGS: 9706 17:18:17 -123.225278 0.006547 BFGS: 9707 17:18:17 -123.223042 0.002629 BFGS: 9708 17:18:17 -123.225407 0.005642 BFGS: 9709 17:18:17 -123.225428 0.005376 BFGS: 9710 17:18:18 -123.223011 0.005765 BFGS: 9711 17:18:18 -123.223051 0.003896 BFGS: 9712 17:18:18 -123.225299 0.006432 BFGS: 9713 17:18:18 -123.223041 0.002801 BFGS: 9714 17:18:18 -123.225416 0.005530 BFGS: 9715 17:18:18 -123.223042 0.002589 BFGS: 9716 17:18:19 -123.225430 0.005344 BFGS: 9717 17:18:19 -123.223042 0.002551 BFGS: 9718 17:18:19 -123.223042 0.002529 BFGS: 9719 17:18:19 -123.225276 0.006622 BFGS: 9720 17:18:20 -123.225405 0.005669 BFGS: 9721 17:18:20 -123.223023 0.005207 BFGS: 9722 17:18:20 -123.223056 0.003587 BFGS: 9723 17:18:20 -123.225278 0.006548 BFGS: 9724 17:18:20 -123.223042 0.002629 BFGS: 9725 17:18:20 -123.225407 0.005642 BFGS: 9726 17:18:21 -123.225428 0.005376 BFGS: 9727 17:18:21 -123.223011 0.005765 BFGS: 9728 17:18:21 -123.223051 0.003895 BFGS: 9729 17:18:21 -123.225299 0.006432 BFGS: 9730 17:18:21 -123.223041 0.002801 BFGS: 9731 17:18:22 -123.225416 0.005530 BFGS: 9732 17:18:22 -123.223042 0.002589 BFGS: 9733 17:18:22 -123.225430 0.005344 BFGS: 9734 17:18:22 -123.223042 0.002551 BFGS: 9735 17:18:22 -123.223042 0.002529 BFGS: 9736 17:18:23 -123.225276 0.006622 BFGS: 9737 17:18:23 -123.225405 0.005668 BFGS: 9738 17:18:23 -123.223023 0.005204 BFGS: 9739 17:18:23 -123.223056 0.003587 BFGS: 9740 17:18:23 -123.225278 0.006546 BFGS: 9741 17:18:24 -123.223042 0.002629 BFGS: 9742 17:18:24 -123.225407 0.005641 BFGS: 9743 17:18:24 -123.225428 0.005376 BFGS: 9744 17:18:24 -123.223011 0.005763 BFGS: 9745 17:18:24 -123.223051 0.003895 BFGS: 9746 17:18:25 -123.225299 0.006431 BFGS: 9747 17:18:25 -123.223041 0.002801 BFGS: 9748 17:18:25 -123.225416 0.005529 BFGS: 9749 17:18:25 -123.223042 0.002589 BFGS: 9750 17:18:25 -123.225430 0.005344 BFGS: 9751 17:18:25 -123.223042 0.002551 BFGS: 9752 17:18:26 -123.223042 0.002529 BFGS: 9753 17:18:26 -123.225276 0.006622 BFGS: 9754 17:18:26 -123.225405 0.005669 BFGS: 9755 17:18:26 -123.223023 0.005205 BFGS: 9756 17:18:26 -123.223056 0.003587 BFGS: 9757 17:18:27 -123.225278 0.006547 BFGS: 9758 17:18:27 -123.223042 0.002629 BFGS: 9759 17:18:27 -123.225407 0.005642 BFGS: 9760 17:18:27 -123.225428 0.005376 BFGS: 9761 17:18:27 -123.223011 0.005762 BFGS: 9762 17:18:28 -123.223051 0.003895 BFGS: 9763 17:18:28 -123.225299 0.006431 BFGS: 9764 17:18:28 -123.223041 0.002801 BFGS: 9765 17:18:28 -123.225416 0.005529 BFGS: 9766 17:18:28 -123.223042 0.002589 BFGS: 9767 17:18:28 -123.225430 0.005344 BFGS: 9768 17:18:29 -123.223042 0.002551 BFGS: 9769 17:18:29 -123.223042 0.002529 BFGS: 9770 17:18:29 -123.225276 0.006622 BFGS: 9771 17:18:29 -123.225405 0.005668 BFGS: 9772 17:18:29 -123.223023 0.005203 BFGS: 9773 17:18:30 -123.223056 0.003586 BFGS: 9774 17:18:30 -123.225278 0.006545 BFGS: 9775 17:18:30 -123.223042 0.002629 BFGS: 9776 17:18:30 -123.225407 0.005641 BFGS: 9777 17:18:30 -123.225428 0.005376 BFGS: 9778 17:18:31 -123.223011 0.005761 BFGS: 9779 17:18:31 -123.223051 0.003895 BFGS: 9780 17:18:31 -123.225299 0.006430 BFGS: 9781 17:18:31 -123.223041 0.002801 BFGS: 9782 17:18:31 -123.225416 0.005529 BFGS: 9783 17:18:31 -123.223042 0.002589 BFGS: 9784 17:18:32 -123.225430 0.005344 BFGS: 9785 17:18:32 -123.223042 0.002551 BFGS: 9786 17:18:32 -123.223042 0.002529 BFGS: 9787 17:18:32 -123.225276 0.006622 BFGS: 9788 17:18:32 -123.225405 0.005668 BFGS: 9789 17:18:33 -123.223023 0.005202 BFGS: 9790 17:18:33 -123.223056 0.003586 BFGS: 9791 17:18:33 -123.225278 0.006545 BFGS: 9792 17:18:33 -123.223042 0.002629 BFGS: 9793 17:18:33 -123.225407 0.005641 BFGS: 9794 17:18:34 -123.225428 0.005376 BFGS: 9795 17:18:34 -123.223011 0.005761 BFGS: 9796 17:18:34 -123.223051 0.003894 BFGS: 9797 17:18:34 -123.225299 0.006430 BFGS: 9798 17:18:34 -123.223041 0.002801 BFGS: 9799 17:18:34 -123.225416 0.005529 BFGS: 9800 17:18:35 -123.223042 0.002589 BFGS: 9801 17:18:35 -123.225430 0.005344 BFGS: 9802 17:18:35 -123.223042 0.002551 BFGS: 9803 17:18:35 -123.223042 0.002529 BFGS: 9804 17:18:35 -123.225276 0.006622 BFGS: 9805 17:18:36 -123.225405 0.005668 BFGS: 9806 17:18:36 -123.223023 0.005202 BFGS: 9807 17:18:36 -123.223056 0.003586 BFGS: 9808 17:18:36 -123.225278 0.006545 BFGS: 9809 17:18:36 -123.223042 0.002629 BFGS: 9810 17:18:36 -123.225407 0.005641 BFGS: 9811 17:18:37 -123.225428 0.005376 BFGS: 9812 17:18:37 -123.223011 0.005760 BFGS: 9813 17:18:37 -123.223051 0.003894 BFGS: 9814 17:18:37 -123.225299 0.006429 BFGS: 9815 17:18:37 -123.223041 0.002801 BFGS: 9816 17:18:38 -123.225416 0.005529 BFGS: 9817 17:18:38 -123.223042 0.002589 BFGS: 9818 17:18:38 -123.225430 0.005344 BFGS: 9819 17:18:38 -123.223042 0.002552 BFGS: 9820 17:18:38 -123.223042 0.002529 BFGS: 9821 17:18:39 -123.225276 0.006622 BFGS: 9822 17:18:39 -123.225405 0.005668 BFGS: 9823 17:18:39 -123.223023 0.005201 BFGS: 9824 17:18:39 -123.223056 0.003586 BFGS: 9825 17:18:39 -123.225279 0.006545 BFGS: 9826 17:18:39 -123.223042 0.002629 BFGS: 9827 17:18:40 -123.225407 0.005641 BFGS: 9828 17:18:40 -123.225428 0.005376 BFGS: 9829 17:18:40 -123.223011 0.005759 BFGS: 9830 17:18:40 -123.223051 0.003894 BFGS: 9831 17:18:40 -123.225299 0.006429 BFGS: 9832 17:18:41 -123.223041 0.002801 BFGS: 9833 17:18:41 -123.225416 0.005529 BFGS: 9834 17:18:41 -123.223042 0.002589 BFGS: 9835 17:18:41 -123.225430 0.005344 BFGS: 9836 17:18:41 -123.223042 0.002552 BFGS: 9837 17:18:42 -123.223042 0.002529 BFGS: 9838 17:18:42 -123.225276 0.006622 BFGS: 9839 17:18:42 -123.225405 0.005668 BFGS: 9840 17:18:42 -123.223023 0.005200 BFGS: 9841 17:18:42 -123.223056 0.003586 BFGS: 9842 17:18:42 -123.225279 0.006544 BFGS: 9843 17:18:43 -123.223042 0.002629 BFGS: 9844 17:18:43 -123.225407 0.005641 BFGS: 9845 17:18:43 -123.225428 0.005376 BFGS: 9846 17:18:43 -123.223011 0.005759 BFGS: 9847 17:18:43 -123.223051 0.003894 BFGS: 9848 17:18:44 -123.225299 0.006429 BFGS: 9849 17:18:44 -123.223041 0.002801 BFGS: 9850 17:18:44 -123.225416 0.005529 BFGS: 9851 17:18:44 -123.223042 0.002589 BFGS: 9852 17:18:44 -123.225430 0.005344 BFGS: 9853 17:18:44 -123.223042 0.002552 BFGS: 9854 17:18:45 -123.223042 0.002529 BFGS: 9855 17:18:45 -123.225276 0.006622 BFGS: 9856 17:18:45 -123.225405 0.005668 BFGS: 9857 17:18:45 -123.223023 0.005199 BFGS: 9858 17:18:45 -123.223056 0.003585 BFGS: 9859 17:18:46 -123.225279 0.006544 BFGS: 9860 17:18:46 -123.223042 0.002629 BFGS: 9861 17:18:46 -123.225407 0.005641 BFGS: 9862 17:18:46 -123.225428 0.005376 BFGS: 9863 17:18:46 -123.223011 0.005758 BFGS: 9864 17:18:47 -123.223051 0.003894 BFGS: 9865 17:18:47 -123.225299 0.006428 BFGS: 9866 17:18:47 -123.223041 0.002801 BFGS: 9867 17:18:47 -123.225416 0.005529 BFGS: 9868 17:18:47 -123.223042 0.002590 BFGS: 9869 17:18:48 -123.225430 0.005344 BFGS: 9870 17:18:48 -123.223042 0.002552 BFGS: 9871 17:18:48 -123.223042 0.002529 BFGS: 9872 17:18:48 -123.225276 0.006622 BFGS: 9873 17:18:48 -123.225405 0.005668 BFGS: 9874 17:18:49 -123.223023 0.005199 BFGS: 9875 17:18:49 -123.223056 0.003585 BFGS: 9876 17:18:49 -123.225279 0.006544 BFGS: 9877 17:18:49 -123.223042 0.002629 BFGS: 9878 17:18:49 -123.225407 0.005641 BFGS: 9879 17:18:49 -123.225428 0.005376 BFGS: 9880 17:18:50 -123.223011 0.005757 BFGS: 9881 17:18:50 -123.223051 0.003893 BFGS: 9882 17:18:50 -123.225299 0.006428 BFGS: 9883 17:18:50 -123.223041 0.002801 BFGS: 9884 17:18:50 -123.225416 0.005529 BFGS: 9885 17:18:51 -123.223042 0.002590 BFGS: 9886 17:18:51 -123.225430 0.005344 BFGS: 9887 17:18:51 -123.223042 0.002552 BFGS: 9888 17:18:51 -123.223042 0.002529 BFGS: 9889 17:18:51 -123.225276 0.006623 BFGS: 9890 17:18:52 -123.225405 0.005668 BFGS: 9891 17:18:52 -123.223023 0.005198 BFGS: 9892 17:18:52 -123.223056 0.003585 BFGS: 9893 17:18:52 -123.225279 0.006544 BFGS: 9894 17:18:52 -123.223042 0.002629 BFGS: 9895 17:18:53 -123.225407 0.005641 BFGS: 9896 17:18:53 -123.225428 0.005376 BFGS: 9897 17:18:53 -123.223011 0.005756 BFGS: 9898 17:18:53 -123.223051 0.003893 BFGS: 9899 17:18:53 -123.225299 0.006427 BFGS: 9900 17:18:53 -123.223041 0.002801 BFGS: 9901 17:18:54 -123.225416 0.005529 BFGS: 9902 17:18:54 -123.223042 0.002590 BFGS: 9903 17:18:54 -123.225430 0.005344 BFGS: 9904 17:18:54 -123.223042 0.002552 BFGS: 9905 17:18:54 -123.223042 0.002529 BFGS: 9906 17:18:55 -123.225276 0.006622 BFGS: 9907 17:18:55 -123.225405 0.005669 BFGS: 9908 17:18:55 -123.223023 0.005198 BFGS: 9909 17:18:55 -123.223056 0.003585 BFGS: 9910 17:18:55 -123.225279 0.006544 BFGS: 9911 17:18:56 -123.223042 0.002629 BFGS: 9912 17:18:56 -123.225407 0.005641 BFGS: 9913 17:18:56 -123.225428 0.005376 BFGS: 9914 17:18:56 -123.223011 0.005756 BFGS: 9915 17:18:56 -123.223051 0.003893 BFGS: 9916 17:18:57 -123.225299 0.006427 BFGS: 9917 17:18:57 -123.223041 0.002801 BFGS: 9918 17:18:57 -123.225416 0.005529 BFGS: 9919 17:18:57 -123.223042 0.002590 BFGS: 9920 17:18:57 -123.225430 0.005344 BFGS: 9921 17:18:57 -123.223042 0.002552 BFGS: 9922 17:18:58 -123.223042 0.002529 BFGS: 9923 17:18:58 -123.225276 0.006622 BFGS: 9924 17:18:58 -123.225405 0.005669 BFGS: 9925 17:18:58 -123.223024 0.005198 BFGS: 9926 17:18:58 -123.223056 0.003584 BFGS: 9927 17:18:59 -123.225279 0.006544 BFGS: 9928 17:18:59 -123.223042 0.002629 BFGS: 9929 17:18:59 -123.225407 0.005641 BFGS: 9930 17:18:59 -123.225428 0.005376 BFGS: 9931 17:18:59 -123.223011 0.005755 BFGS: 9932 17:19:00 -123.223051 0.003893 BFGS: 9933 17:19:00 -123.225299 0.006427 BFGS: 9934 17:19:00 -123.223041 0.002801 BFGS: 9935 17:19:00 -123.225416 0.005528 BFGS: 9936 17:19:00 -123.223042 0.002590 BFGS: 9937 17:19:01 -123.225430 0.005343 BFGS: 9938 17:19:01 -123.223042 0.002552 BFGS: 9939 17:19:01 -123.223042 0.002530 BFGS: 9940 17:19:01 -123.225277 0.006623 BFGS: 9941 17:19:02 -123.225405 0.005668 BFGS: 9942 17:19:02 -123.223024 0.005194 BFGS: 9943 17:19:02 -123.223056 0.003584 BFGS: 9944 17:19:02 -123.225279 0.006541 BFGS: 9945 17:19:02 -123.223042 0.002629 BFGS: 9946 17:19:02 -123.225407 0.005641 BFGS: 9947 17:19:03 -123.225428 0.005376 BFGS: 9948 17:19:03 -123.223011 0.005753 BFGS: 9949 17:19:03 -123.223051 0.003892 BFGS: 9950 17:19:03 -123.225299 0.006426 BFGS: 9951 17:19:03 -123.223041 0.002802 BFGS: 9952 17:19:04 -123.225416 0.005528 BFGS: 9953 17:19:04 -123.223042 0.002590 BFGS: 9954 17:19:04 -123.225430 0.005343 BFGS: 9955 17:19:04 -123.223042 0.002552 BFGS: 9956 17:19:04 -123.223042 0.002530 BFGS: 9957 17:19:04 -123.225276 0.006623 BFGS: 9958 17:19:05 -123.225405 0.005668 BFGS: 9959 17:19:05 -123.223024 0.005196 BFGS: 9960 17:19:05 -123.223056 0.003584 BFGS: 9961 17:19:05 -123.225279 0.006542 BFGS: 9962 17:19:05 -123.223042 0.002629 BFGS: 9963 17:19:06 -123.225407 0.005641 BFGS: 9964 17:19:06 -123.225428 0.005376 BFGS: 9965 17:19:06 -123.223011 0.005754 BFGS: 9966 17:19:06 -123.223051 0.003892 BFGS: 9967 17:19:06 -123.225299 0.006426 BFGS: 9968 17:19:06 -123.223041 0.002802 BFGS: 9969 17:19:07 -123.225416 0.005528 BFGS: 9970 17:19:07 -123.223042 0.002590 BFGS: 9971 17:19:07 -123.225430 0.005343 BFGS: 9972 17:19:07 -123.223042 0.002552 BFGS: 9973 17:19:07 -123.223042 0.002530 BFGS: 9974 17:19:08 -123.225276 0.006622 BFGS: 9975 17:19:08 -123.225405 0.005669 BFGS: 9976 17:19:08 -123.223024 0.005195 BFGS: 9977 17:19:08 -123.223056 0.003584 BFGS: 9978 17:19:08 -123.225279 0.006543 BFGS: 9979 17:19:08 -123.223042 0.002629 BFGS: 9980 17:19:09 -123.225407 0.005641 BFGS: 9981 17:19:09 -123.225428 0.005376 BFGS: 9982 17:19:09 -123.223011 0.005752 BFGS: 9983 17:19:09 -123.223051 0.003892 BFGS: 9984 17:19:09 -123.225299 0.006426 BFGS: 9985 17:19:10 -123.223041 0.002801 BFGS: 9986 17:19:10 -123.225416 0.005528 BFGS: 9987 17:19:10 -123.223042 0.002590 BFGS: 9988 17:19:10 -123.225430 0.005343 BFGS: 9989 17:19:10 -123.223042 0.002552 BFGS: 9990 17:19:11 -123.223042 0.002530 BFGS: 9991 17:19:11 -123.225276 0.006623 BFGS: 9992 17:19:11 -123.225405 0.005668 BFGS: 9993 17:19:11 -123.223024 0.005194 BFGS: 9994 17:19:11 -123.223056 0.003584 BFGS: 9995 17:19:11 -123.225279 0.006541 BFGS: 9996 17:19:12 -123.223042 0.002629 BFGS: 9997 17:19:12 -123.225407 0.005641 BFGS: 9998 17:19:12 -123.225428 0.005376 BFGS: 9999 17:19:12 -123.223011 0.005751 BFGS: 10000 17:19:12 -123.223051 0.003892 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.002975744775010897 eV/Angstrom Maximum stress component: 0.00011327236435174059 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.26156262 0.49421389 0.75050654] [0.73843738 0.99421389 0.74949346] [0.73843738 0.50578611 0.24949346] [0.26156262 0.00578611 0.25050654] [0.29616882 0.52313495 0.12669406] [0.70383118 0.02313495 0.37330594] [0.70383118 0.47686505 0.87330594] [0.29616882 0.97686505 0.62669406] [0.05635337 0.72073038 0.59413675] [0.94364663 0.22073038 0.90586325] [0.94364663 0.27926962 0.40586325] [0.05635337 0.77926962 0.09413675] [0.43463832 0.77991091 0.16480727] [0.56536168 0.27991091 0.33519273] [0.56536168 0.22008909 0.83519273] [0.43463832 0.72008909 0.66480727] [0.7703449 0.56591043 0.64983505] [0.2296551 0.06591043 0.85016495] [0.2296551 0.43408957 0.35016495] [0.7703449 0.93408957 0.14983505] [0.25680589 0.65912128 0.93824497] [0.74319411 0.15912128 0.56175503] [0.74319411 0.34087872 0.06175503] [0.25680589 0.84087872 0.43824497] [0.65656867 0.84453614 0.70098517] [0.34343133 0.34453614 0.79901483] [0.34343133 0.15546386 0.29901483] [0.65656867 0.65546386 0.20098517] [0.86869154 0.62608926 0.95360063] [0.13130846 0.12608926 0.54639937] [0.13130846 0.37391074 0.04639937] [0.86869154 0.87391074 0.45360063]] cellpar = Cell([[10.658463548921471, 8.6112789176983725e-19, 0.24476080848846166], [3.5425873078183394e-18, 5.71443652719552, 1.0811134550252166e-17], [-5.113221769921605, 4.76548253758612e-18, 2.645685387421035]]) forces = [[-2.15415765e-04 1.24416264e-04 1.57128609e-05] [ 2.15415765e-04 1.24416264e-04 -1.57128609e-05] [ 2.15415765e-04 -1.24416264e-04 -1.57128609e-05] [-2.15415765e-04 -1.24416264e-04 1.57128609e-05] [ 1.12929016e-03 8.14206501e-04 6.23292396e-04] [-1.12929016e-03 8.14206501e-04 -6.23292396e-04] [-1.12929016e-03 -8.14206501e-04 -6.23292396e-04] [ 1.12929016e-03 -8.14206501e-04 6.23292396e-04] [ 5.65285735e-06 2.04028498e-04 6.91914783e-05] [-5.65285735e-06 2.04028498e-04 -6.91914783e-05] [-5.65285735e-06 -2.04028498e-04 -6.91914783e-05] [ 5.65285735e-06 -2.04028498e-04 6.91914783e-05] [-2.90053179e-04 1.87820824e-04 -2.41611682e-04] [ 2.90053179e-04 1.87820824e-04 2.41611682e-04] [ 2.90053179e-04 -1.87820824e-04 2.41611682e-04] [-2.90053179e-04 -1.87820824e-04 -2.41611682e-04] [-5.37580828e-05 4.10199591e-05 4.60707798e-05] [ 5.37580828e-05 4.10199591e-05 -4.60707798e-05] [ 5.37580828e-05 -4.10199591e-05 -4.60707798e-05] [-5.37580828e-05 -4.10199591e-05 4.60707798e-05] [ 2.97574478e-03 -2.01314895e-03 1.94169210e-03] [-2.97574478e-03 -2.01314895e-03 -1.94169210e-03] [-2.97574478e-03 2.01314895e-03 -1.94169210e-03] [ 2.97574478e-03 2.01314895e-03 1.94169210e-03] [ 4.09359977e-05 -1.09107496e-04 6.91835263e-05] [-4.09359977e-05 -1.09107496e-04 -6.91835263e-05] [-4.09359977e-05 1.09107496e-04 -6.91835263e-05] [ 4.09359977e-05 1.09107496e-04 6.91835263e-05] [-2.10777309e-03 -1.40251836e-03 -1.49562135e-03] [ 2.10777309e-03 -1.40251836e-03 1.49562135e-03] [ 2.10777309e-03 1.40251836e-03 1.49562135e-03] [-2.10777309e-03 1.40251836e-03 -1.49562135e-03]] stress = [-1.13272364e-04 -9.45201039e-05 -6.68145519e-05 4.17365617e-23 -9.31802384e-05 5.36301966e-23] energy per atom = -3.8158654898434574 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0