element(s): ['C'] AFLOW prototype label: A_hR60_166_2h4i Parameter names: ['a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['9.2078749', '2.8560549', '0.75219325', '0.42948739', '0.74201569', '0.31003192', '0.08367029', '0.52879813', '0.35559978', '0.058799983', '0.54887103', '0.21275644', '0.63749731', '0.89485464', '0.20182745', '0.88256648', '0.72459266', '0.035124446'] model name: MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C'] representative atom coordinates = [[0.10756862 0.89243138 0.14462463] [0.14399459 0.85600541 0.0980211 ] [0.69957705 0.1272246 0.15602273] [0.60594729 0.05793812 0.10680915] [0.62376765 0.68320516 0.0780598 ] [0.48769658 0.8228352 0.04742786]] spacegroup = 166 cell = [[9.2079, 0, 0], [-4.60395, 7.9742753155067, 0], [0, 0, 26.2982]] ========================================= Step Time Energy fmax BFGS: 0 15:11:45 1048.584356 282.685681 BFGS: 1 15:11:46 665.939343 78.041481 BFGS: 2 15:11:46 476.402725 83.552319 BFGS: 3 15:11:46 244.298028 72.838980 BFGS: 4 15:11:47 104.205756 65.532812 BFGS: 5 15:11:47 -15.534621 60.462163 BFGS: 6 15:11:47 -129.274184 56.449943 BFGS: 7 15:11:48 -222.097167 58.184302 BFGS: 8 15:11:48 -295.788461 45.537407 BFGS: 9 15:11:48 -361.606370 40.257507 BFGS: 10 15:11:49 -416.101906 36.661783 BFGS: 11 15:11:49 -465.194611 32.843196 BFGS: 12 15:11:50 -522.760531 38.069627 BFGS: 13 15:11:50 -563.743428 34.786015 BFGS: 14 15:11:50 -612.987551 29.543218 BFGS: 15 15:11:51 -658.879711 25.373980 BFGS: 16 15:11:51 -716.184444 39.779852 BFGS: 17 15:11:51 -751.092994 34.934511 BFGS: 18 15:11:52 -783.501546 24.834259 BFGS: 19 15:11:52 -817.500272 17.169099 BFGS: 20 15:11:52 -849.960116 16.370199 BFGS: 21 15:11:53 -876.777776 15.803093 BFGS: 22 15:11:53 -899.730935 15.008722 BFGS: 23 15:11:53 -919.981854 13.965787 BFGS: 24 15:11:53 -938.021747 12.706316 BFGS: 25 15:11:54 -954.024705 11.264747 BFGS: 26 15:11:54 -968.029813 9.661738 BFGS: 27 15:11:54 -980.011414 7.893342 BFGS: 28 15:11:55 -989.884573 5.904098 BFGS: 29 15:11:55 -997.455831 4.778382 BFGS: 30 15:11:55 -1002.292299 3.782616 BFGS: 31 15:11:56 -1004.098983 3.174312 BFGS: 32 15:11:56 -1005.826384 3.144282 BFGS: 33 15:11:57 -1008.667370 3.350144 BFGS: 34 15:11:57 -1010.610892 3.506188 BFGS: 35 15:11:57 -1012.043661 3.712504 BFGS: 36 15:11:58 -1013.156442 3.902231 BFGS: 37 15:11:58 -1014.055133 4.029975 BFGS: 38 15:11:58 -1014.805770 4.073160 BFGS: 39 15:11:59 -1015.459609 4.021083 BFGS: 40 15:11:59 -1016.061305 3.871657 BFGS: 41 15:11:59 -1016.646206 3.632432 BFGS: 42 15:12:00 -1017.283124 3.334841 BFGS: 43 15:12:00 -1018.124502 2.931543 BFGS: 44 15:12:00 -1019.268728 2.340650 BFGS: 45 15:12:01 -1020.397679 2.068159 BFGS: 46 15:12:01 -1021.429302 1.892191 BFGS: 47 15:12:01 -1022.303379 1.726470 BFGS: 48 15:12:02 -1023.005389 1.766859 BFGS: 49 15:12:02 -1023.557192 1.675925 BFGS: 50 15:12:03 -1023.988618 1.888309 BFGS: 51 15:12:03 -1024.327377 2.031600 BFGS: 52 15:12:03 -1024.613765 2.104381 BFGS: 53 15:12:04 -1025.503493 3.044473 BFGS: 54 15:12:04 -1029.317102 6.137572 BFGS: 55 15:12:05 -1033.638006 6.224638 BFGS: 56 15:12:05 -1037.309461 4.976658 BFGS: 57 15:12:06 -1041.127161 2.994357 BFGS: 58 15:12:06 -1042.936506 1.701426 BFGS: 59 15:12:06 -1043.480214 1.803373 BFGS: 60 15:12:07 -1044.409035 1.739291 BFGS: 61 15:12:07 -1045.277003 1.631846 BFGS: 62 15:12:07 -1046.098652 1.619128 BFGS: 63 15:12:07 -1046.885098 1.723496 BFGS: 64 15:12:08 -1047.643616 1.815120 BFGS: 65 15:12:08 -1048.378367 1.885186 BFGS: 66 15:12:08 -1049.091022 1.928403 BFGS: 67 15:12:08 -1049.781417 1.942391 BFGS: 68 15:12:09 -1050.448311 1.927319 BFGS: 69 15:12:09 -1051.090149 1.885453 BFGS: 70 15:12:09 -1051.705769 1.820628 BFGS: 71 15:12:09 -1052.294887 1.737764 BFGS: 72 15:12:09 -1052.858427 1.642358 BFGS: 73 15:12:10 -1053.398628 1.630327 BFGS: 74 15:12:10 -1053.918823 1.621548 BFGS: 75 15:12:10 -1054.422678 1.611203 BFGS: 76 15:12:10 -1054.914308 1.600390 BFGS: 77 15:12:11 -1055.399470 1.589966 BFGS: 78 15:12:11 -1055.885523 1.581246 BFGS: 79 15:12:11 -1056.382842 1.576254 BFGS: 80 15:12:12 -1056.906796 1.578010 BFGS: 81 15:12:12 -1057.482113 1.590802 BFGS: 82 15:12:12 -1058.157294 1.620366 BFGS: 83 15:12:12 -1059.042846 1.681512 BFGS: 84 15:12:13 -1059.834257 1.751086 BFGS: 85 15:12:13 -1060.589500 1.770566 BFGS: 86 15:12:13 -1060.916980 1.707775 BFGS: 87 15:12:13 -1061.026936 1.647856 BFGS: 88 15:12:14 -1061.080740 1.624664 BFGS: 89 15:12:14 -1061.140891 1.614608 BFGS: 90 15:12:14 -1061.179801 1.626772 BFGS: 91 15:12:15 -1061.235185 1.654020 BFGS: 92 15:12:15 -1061.277926 1.669879 BFGS: 93 15:12:15 -1061.378355 1.691393 BFGS: 94 15:12:15 -1061.488626 1.691547 BFGS: 95 15:12:16 -1061.632883 1.660462 BFGS: 96 15:12:16 -1061.755829 1.612274 BFGS: 97 15:12:16 -1061.873539 1.562425 BFGS: 98 15:12:17 -1061.956390 1.540029 BFGS: 99 15:12:17 -1062.039801 1.534738 BFGS: 100 15:12:17 -1062.118299 1.546567 BFGS: 101 15:12:17 -1062.172017 1.564443 BFGS: 102 15:12:18 -1062.213717 1.576585 BFGS: 103 15:12:18 -1062.250538 1.578216 BFGS: 104 15:12:18 -1062.280044 1.568796 BFGS: 105 15:12:19 -1062.302428 1.555079 BFGS: 106 15:12:19 -1062.325467 1.541555 BFGS: 107 15:12:20 -1062.351901 1.532763 BFGS: 108 15:12:20 -1062.379162 1.528354 BFGS: 109 15:12:20 -1062.407729 1.526059 BFGS: 110 15:12:20 -1062.437304 1.524893 BFGS: 111 15:12:21 -1062.467569 1.524402 BFGS: 112 15:12:21 -1062.498256 1.524349 BFGS: 113 15:12:21 -1062.529147 1.524600 BFGS: 114 15:12:22 -1062.560063 1.525067 BFGS: 115 15:12:22 -1062.590851 1.525692 BFGS: 116 15:12:23 -1062.621382 1.526435 BFGS: 117 15:12:23 -1062.651548 1.527265 BFGS: 118 15:12:23 -1062.681257 1.528160 BFGS: 119 15:12:24 -1062.710434 1.529103 BFGS: 120 15:12:24 -1062.739020 1.530083 BFGS: 121 15:12:24 -1062.766968 1.531091 BFGS: 122 15:12:25 -1062.794245 1.532120 BFGS: 123 15:12:25 -1062.820828 1.533166 BFGS: 124 15:12:25 -1062.846706 1.534227 BFGS: 125 15:12:26 -1062.871881 1.535302 BFGS: 126 15:12:26 -1062.896360 1.536390 BFGS: 127 15:12:27 -1062.920162 1.537490 BFGS: 128 15:12:27 -1062.943313 1.538605 BFGS: 129 15:12:27 -1062.965843 1.539733 BFGS: 130 15:12:28 -1062.987790 1.540876 BFGS: 131 15:12:28 -1063.009193 1.542032 BFGS: 132 15:12:28 -1063.030094 1.543201 BFGS: 133 15:12:29 -1063.050535 1.544378 BFGS: 134 15:12:29 -1063.070554 1.545559 BFGS: 135 15:12:30 -1063.090187 1.546733 BFGS: 136 15:12:30 -1063.109460 1.547889 BFGS: 137 15:12:30 -1063.128392 1.549009 BFGS: 138 15:12:31 -1063.146990 1.550075 BFGS: 139 15:12:31 -1063.165259 1.551084 BFGS: 140 15:12:31 -1063.183207 1.552037 BFGS: 141 15:12:32 -1063.200843 1.552936 BFGS: 142 15:12:32 -1063.218174 1.553786 BFGS: 143 15:12:33 -1063.235209 1.554588 BFGS: 144 15:12:33 -1063.251954 1.555346 BFGS: 145 15:12:33 -1063.268416 1.556061 BFGS: 146 15:12:34 -1063.284602 1.556736 BFGS: 147 15:12:35 -1063.300518 1.557372 BFGS: 148 15:12:35 -1063.316170 1.557970 BFGS: 149 15:12:35 -1063.331565 1.558531 BFGS: 150 15:12:35 -1063.346707 1.559057 BFGS: 151 15:12:36 -1063.361603 1.559548 BFGS: 152 15:12:36 -1063.376258 1.560006 BFGS: 153 15:12:36 -1063.390679 1.560430 BFGS: 154 15:12:36 -1063.404869 1.560821 BFGS: 155 15:12:36 -1063.418836 1.561181 BFGS: 156 15:12:37 -1063.432584 1.561509 BFGS: 157 15:12:37 -1063.446119 1.561805 BFGS: 158 15:12:37 -1063.459446 1.562072 BFGS: 159 15:12:37 -1063.472570 1.562308 BFGS: 160 15:12:38 -1063.485495 1.562514 BFGS: 161 15:12:38 -1063.498227 1.562691 BFGS: 162 15:12:38 -1063.510771 1.562838 BFGS: 163 15:12:38 -1063.523131 1.562956 BFGS: 164 15:12:39 -1063.535311 1.563046 BFGS: 165 15:12:39 -1063.547317 1.563107 BFGS: 166 15:12:40 -1063.559151 1.563140 BFGS: 167 15:12:40 -1063.570819 1.563145 BFGS: 168 15:12:40 -1063.582325 1.563122 BFGS: 169 15:12:41 -1063.593671 1.563071 BFGS: 170 15:12:42 -1063.604861 1.562993 BFGS: 171 15:12:42 -1063.615900 1.562887 BFGS: 172 15:12:43 -1063.626791 1.562754 BFGS: 173 15:12:43 -1063.637535 1.562594 BFGS: 174 15:12:43 -1063.648138 1.562407 BFGS: 175 15:12:44 -1063.658601 1.562193 BFGS: 176 15:12:45 -1063.668927 1.561952 BFGS: 177 15:12:45 -1063.679120 1.561684 BFGS: 178 15:12:46 -1063.689180 1.561389 BFGS: 179 15:12:47 -1063.699111 1.561067 BFGS: 180 15:12:47 -1063.708915 1.560718 BFGS: 181 15:12:48 -1063.718595 1.560342 BFGS: 182 15:12:49 -1063.728151 1.559939 BFGS: 183 15:12:49 -1063.737585 1.559509 BFGS: 184 15:12:50 -1063.746901 1.559052 BFGS: 185 15:12:50 -1063.756098 1.558567 BFGS: 186 15:12:51 -1063.765179 1.558055 BFGS: 187 15:12:52 -1063.774146 1.557515 BFGS: 188 15:12:52 -1063.782998 1.556948 BFGS: 189 15:12:53 -1063.791739 1.556352 BFGS: 190 15:12:53 -1063.800368 1.555727 BFGS: 191 15:12:53 -1063.808888 1.555075 BFGS: 192 15:12:54 -1063.817299 1.554393 BFGS: 193 15:12:55 -1063.825602 1.553682 BFGS: 194 15:12:55 -1063.833798 1.552941 BFGS: 195 15:12:56 -1063.841888 1.552170 BFGS: 196 15:12:56 -1063.849873 1.551369 BFGS: 197 15:12:57 -1063.857755 1.550536 BFGS: 198 15:12:57 -1063.865533 1.549673 BFGS: 199 15:12:58 -1063.873209 1.548777 BFGS: 200 15:12:58 -1063.880784 1.547848 BFGS: 201 15:12:59 -1063.888258 1.546886 BFGS: 202 15:12:59 -1063.895633 1.545890 BFGS: 203 15:13:00 -1063.902909 1.544860 BFGS: 204 15:13:01 -1063.910089 1.543793 BFGS: 205 15:13:01 -1063.917172 1.542691 BFGS: 206 15:13:02 -1063.924161 1.541550 BFGS: 207 15:13:03 -1063.931056 1.540372 BFGS: 208 15:13:03 -1063.937859 1.539154 BFGS: 209 15:13:03 -1063.944573 1.537895 BFGS: 210 15:13:04 -1063.951198 1.536594 BFGS: 211 15:13:04 -1063.957737 1.535249 BFGS: 212 15:13:04 -1063.964192 1.533859 BFGS: 213 15:13:04 -1063.970566 1.532423 BFGS: 214 15:13:05 -1063.976862 1.530938 BFGS: 215 15:13:05 -1063.983083 1.529403 BFGS: 216 15:13:05 -1063.989233 1.527814 BFGS: 217 15:13:06 -1063.995316 1.526171 BFGS: 218 15:13:06 -1064.001336 1.524470 BFGS: 219 15:13:07 -1064.007300 1.522708 BFGS: 220 15:13:07 -1064.013214 1.520881 BFGS: 221 15:13:08 -1064.019083 1.518987 BFGS: 222 15:13:08 -1064.024917 1.517021 BFGS: 223 15:13:08 -1064.030725 1.514979 BFGS: 224 15:13:09 -1064.036518 1.512854 BFGS: 225 15:13:09 -1064.042307 1.510641 BFGS: 226 15:13:09 -1064.048108 1.508334 BFGS: 227 15:13:10 -1064.053937 1.505923 BFGS: 228 15:13:10 -1064.059816 1.503400 BFGS: 229 15:13:10 -1064.065769 1.500754 BFGS: 230 15:13:11 -1064.071826 1.497971 BFGS: 231 15:13:11 -1064.078022 1.495037 BFGS: 232 15:13:12 -1064.084401 1.491931 BFGS: 233 15:13:12 -1064.091017 1.488632 BFGS: 234 15:13:13 -1064.097935 1.485111 BFGS: 235 15:13:14 -1064.105230 1.481334 BFGS: 236 15:13:14 -1064.112983 1.477261 BFGS: 237 15:13:15 -1064.121253 1.472847 BFGS: 238 15:13:15 -1064.130022 1.468043 BFGS: 239 15:13:16 -1064.139072 1.462695 BFGS: 240 15:13:16 -1064.154020 1.455946 BFGS: 241 15:13:17 -1064.190604 1.443588 BFGS: 242 15:13:17 -1064.339945 1.469544 BFGS: 243 15:13:18 -1065.179045 1.952258 BFGS: 244 15:13:19 -1066.948078 2.551266 BFGS: 245 15:13:20 -1068.449783 3.113601 BFGS: 246 15:13:20 -1069.497054 3.564201 BFGS: 247 15:13:21 -1070.031296 3.680640 BFGS: 248 15:13:22 -1070.371740 3.596293 BFGS: 249 15:13:22 -1070.642569 3.495710 BFGS: 250 15:13:22 -1070.890018 3.397590 BFGS: 251 15:13:22 -1071.117215 3.305320 BFGS: 252 15:13:23 -1071.331524 3.218337 BFGS: 253 15:13:23 -1071.533649 3.135780 BFGS: 254 15:13:24 -1071.725678 3.056722 BFGS: 255 15:13:24 -1071.907921 2.980596 BFGS: 256 15:13:24 -1072.081221 2.906886 BFGS: 257 15:13:25 -1072.245837 2.835287 BFGS: 258 15:13:25 -1072.402249 2.765502 BFGS: 259 15:13:25 -1072.550729 2.697335 BFGS: 260 15:13:26 -1072.691643 2.630587 BFGS: 261 15:13:27 -1072.825275 2.565106 BFGS: 262 15:13:27 -1072.951947 2.500736 BFGS: 263 15:13:27 -1073.071946 2.437350 BFGS: 264 15:13:28 -1073.185569 2.374820 BFGS: 265 15:13:28 -1073.293092 2.313040 BFGS: 266 15:13:29 -1073.394794 2.251904 BFGS: 267 15:13:29 -1073.490936 2.191328 BFGS: 268 15:13:30 -1073.581776 2.131232 BFGS: 269 15:13:30 -1073.667558 2.071553 BFGS: 270 15:13:31 -1073.748520 2.012238 BFGS: 271 15:13:31 -1073.824891 1.953250 BFGS: 272 15:13:32 -1073.896893 1.894564 BFGS: 273 15:13:32 -1073.964745 1.836167 BFGS: 274 15:13:33 -1074.028659 1.778060 BFGS: 275 15:13:33 -1074.088851 1.720259 BFGS: 276 15:13:33 -1074.145538 1.662782 BFGS: 277 15:13:34 -1074.198941 1.605646 BFGS: 278 15:13:34 -1074.249288 1.548893 BFGS: 279 15:13:34 -1074.296814 1.492591 BFGS: 280 15:13:35 -1074.341762 1.436826 BFGS: 281 15:13:35 -1074.384380 1.391892 BFGS: 282 15:13:36 -1074.424925 1.388886 BFGS: 283 15:13:36 -1074.463653 1.385269 BFGS: 284 15:13:36 -1074.500822 1.381057 BFGS: 285 15:13:37 -1074.536687 1.376266 BFGS: 286 15:13:37 -1074.571495 1.370908 BFGS: 287 15:13:38 -1074.605482 1.364999 BFGS: 288 15:13:38 -1074.638869 1.358549 BFGS: 289 15:13:39 -1074.671861 1.351571 BFGS: 290 15:13:39 -1074.704644 1.344073 BFGS: 291 15:13:40 -1074.737380 1.336066 BFGS: 292 15:13:40 -1074.770213 1.327558 BFGS: 293 15:13:40 -1074.803264 1.318557 BFGS: 294 15:13:41 -1074.836634 1.309070 BFGS: 295 15:13:41 -1074.870405 1.299106 BFGS: 296 15:13:41 -1074.904641 1.288672 BFGS: 297 15:13:42 -1074.939393 1.277764 BFGS: 298 15:13:42 -1074.974696 1.266365 BFGS: 299 15:13:43 -1075.010577 1.254465 BFGS: 300 15:13:43 -1075.047054 1.242058 BFGS: 301 15:13:43 -1075.084136 1.229139 BFGS: 302 15:13:44 -1075.121825 1.215706 BFGS: 303 15:13:44 -1075.160119 1.201757 BFGS: 304 15:13:45 -1075.199011 1.187289 BFGS: 305 15:13:45 -1075.238488 1.172304 BFGS: 306 15:13:45 -1075.278536 1.165970 BFGS: 307 15:13:46 -1075.319136 1.162615 BFGS: 308 15:13:46 -1075.360266 1.159218 BFGS: 309 15:13:47 -1075.401903 1.155780 BFGS: 310 15:13:47 -1075.444017 1.152306 BFGS: 311 15:13:48 -1075.486575 1.148806 BFGS: 312 15:13:48 -1075.529536 1.145290 BFGS: 313 15:13:48 -1075.572854 1.141769 BFGS: 314 15:13:49 -1075.616478 1.138259 BFGS: 315 15:13:49 -1075.660349 1.134772 BFGS: 316 15:13:50 -1075.704405 1.131322 BFGS: 317 15:13:50 -1075.748580 1.127923 BFGS: 318 15:13:50 -1075.792803 1.124585 BFGS: 319 15:13:51 -1075.836999 1.121321 BFGS: 320 15:13:51 -1075.881091 1.118138 BFGS: 321 15:13:52 -1075.924998 1.115044 BFGS: 322 15:13:52 -1075.968634 1.112044 BFGS: 323 15:13:52 -1076.011912 1.109143 BFGS: 324 15:13:53 -1076.054738 1.106341 BFGS: 325 15:13:53 -1076.097014 1.103640 BFGS: 326 15:13:53 -1076.138636 1.101041 BFGS: 327 15:13:54 -1076.179490 1.098540 BFGS: 328 15:13:54 -1076.219456 1.096135 BFGS: 329 15:13:55 -1076.258401 1.093822 BFGS: 330 15:13:55 -1076.296180 1.091593 BFGS: 331 15:13:55 -1076.332635 1.089441 BFGS: 332 15:13:56 -1076.367588 1.087353 BFGS: 333 15:13:56 -1076.400843 1.085313 BFGS: 334 15:13:57 -1076.432179 1.083298 BFGS: 335 15:13:57 -1076.461343 1.081276 BFGS: 336 15:13:57 -1076.488048 1.079199 BFGS: 337 15:13:58 -1076.511957 1.076989 BFGS: 338 15:13:58 -1076.532675 1.074513 BFGS: 339 15:13:59 -1076.549750 1.071457 BFGS: 340 15:13:59 -1076.560790 1.068296 BFGS: 341 15:13:59 -1076.567970 1.066666 BFGS: 342 15:14:00 -1076.579826 1.064547 BFGS: 343 15:14:00 -1076.585528 1.064346 BFGS: 344 15:14:01 -1076.589062 1.064769 BFGS: 345 15:14:01 -1076.590423 1.065309 BFGS: 346 15:14:02 -1076.592030 1.066010 BFGS: 347 15:14:02 -1076.593823 1.067112 BFGS: 348 15:14:02 -1076.595642 1.068280 BFGS: 349 15:14:03 -1076.596859 1.069338 BFGS: 350 15:14:03 -1076.597733 1.070421 BFGS: 351 15:14:04 -1076.598380 1.071289 BFGS: 352 15:14:04 -1076.599029 1.073361 BFGS: 353 15:14:05 -1076.599431 1.075026 BFGS: 354 15:14:05 -1076.599633 1.076377 BFGS: 355 15:14:06 -1076.599744 1.076955 BFGS: 356 15:14:06 -1076.599817 1.077457 BFGS: 357 15:14:06 -1076.599883 1.077689 BFGS: 358 15:14:07 -1076.599930 1.077747 BFGS: 359 15:14:07 -1076.599957 1.077595 BFGS: 360 15:14:08 -1076.599972 1.077418 BFGS: 361 15:14:08 -1076.599983 1.077214 BFGS: 362 15:14:09 -1076.599995 1.076979 BFGS: 363 15:14:09 -1076.600008 1.076693 BFGS: 364 15:14:09 -1076.600017 1.076528 BFGS: 365 15:14:10 -1076.600021 1.076509 BFGS: 366 15:14:10 -1076.600023 1.076542 BFGS: 367 15:14:10 -1076.600023 1.076584 BFGS: 368 15:14:10 -1076.600024 1.076607 BFGS: 369 15:14:10 -1076.600024 1.076642 BFGS: 370 15:14:11 -1076.600024 1.076651 BFGS: 371 15:14:11 -1076.600025 1.076699 BFGS: 372 15:14:11 -1076.600026 1.076757 BFGS: 373 15:14:12 -1076.600030 1.076860 BFGS: 374 15:14:12 -1076.600040 1.077015 BFGS: 375 15:14:12 -1076.600066 1.077264 BFGS: 376 15:14:13 -1076.600133 1.077650 BFGS: 377 15:14:13 -1076.600305 1.078251 BFGS: 378 15:14:13 -1076.600751 1.079174 BFGS: 379 15:14:14 -1076.601911 1.080575 BFGS: 380 15:14:14 -1076.604923 1.082641 BFGS: 381 15:14:15 -1076.612739 1.085539 BFGS: 382 15:14:15 -1076.632889 1.089160 BFGS: 383 15:14:15 -1076.676026 1.091801 BFGS: 384 15:14:16 -1076.733251 1.091761 BFGS: 385 15:14:17 -1076.803004 1.089859 BFGS: 386 15:14:17 -1076.881593 1.086737 BFGS: 387 15:14:17 -1076.965315 1.082868 BFGS: 388 15:14:18 -1077.050893 1.078615 BFGS: 389 15:14:18 -1077.135614 1.074262 BFGS: 390 15:14:19 -1077.217434 1.070023 BFGS: 391 15:14:19 -1077.295016 1.066045 BFGS: 392 15:14:19 -1077.367697 1.062405 BFGS: 393 15:14:19 -1077.435371 1.059117 BFGS: 394 15:14:20 -1077.498349 1.056137 BFGS: 395 15:14:20 -1077.557229 1.053377 BFGS: 396 15:14:21 -1077.612639 1.050760 BFGS: 397 15:14:21 -1077.664961 1.048242 BFGS: 398 15:14:21 -1077.714417 1.045796 BFGS: 399 15:14:22 -1077.761145 1.043406 BFGS: 400 15:14:22 -1077.805237 1.041063 BFGS: 401 15:14:22 -1077.846768 1.038761 BFGS: 402 15:14:22 -1077.885800 1.036499 BFGS: 403 15:14:23 -1077.922398 1.034273 BFGS: 404 15:14:23 -1077.956630 1.032085 BFGS: 405 15:14:23 -1077.988570 1.029934 BFGS: 406 15:14:24 -1078.018303 1.027822 BFGS: 407 15:14:24 -1078.045920 1.025748 BFGS: 408 15:14:24 -1078.071526 1.023715 BFGS: 409 15:14:25 -1078.095231 1.021723 BFGS: 410 15:14:25 -1078.117155 1.019772 BFGS: 411 15:14:26 -1078.137422 1.017864 BFGS: 412 15:14:26 -1078.156160 1.015997 BFGS: 413 15:14:26 -1078.173496 1.014172 BFGS: 414 15:14:26 -1078.189553 1.012388 BFGS: 415 15:14:27 -1078.204445 1.010642 BFGS: 416 15:14:27 -1078.218277 1.008932 BFGS: 417 15:14:27 -1078.231142 1.007255 BFGS: 418 15:14:28 -1078.243118 1.005608 BFGS: 419 15:14:28 -1078.254274 1.003987 BFGS: 420 15:14:28 -1078.264662 1.002387 BFGS: 421 15:14:28 -1078.274329 1.000806 BFGS: 422 15:14:29 -1078.283307 0.999238 BFGS: 423 15:14:29 -1078.291625 1.014565 BFGS: 424 15:14:29 -1078.299302 1.036928 BFGS: 425 15:14:29 -1078.306354 1.059353 BFGS: 426 15:14:30 -1078.312791 1.081874 BFGS: 427 15:14:30 -1078.318619 1.104531 BFGS: 428 15:14:30 -1078.323841 1.127380 BFGS: 429 15:14:31 -1078.328457 1.150491 BFGS: 430 15:14:31 -1078.332462 1.173969 BFGS: 431 15:14:31 -1078.335851 1.197967 BFGS: 432 15:14:31 -1078.338610 1.222741 BFGS: 433 15:14:32 -1078.340724 1.248790 BFGS: 434 15:14:32 -1078.342001 1.271288 BFGS: 435 15:14:32 -1078.342607 1.287324 BFGS: 436 15:14:32 -1078.342955 1.298602 BFGS: 437 15:14:33 -1078.343215 1.306334 BFGS: 438 15:14:33 -1078.343402 1.309089 BFGS: 439 15:14:33 -1078.343512 1.307595 BFGS: 440 15:14:33 -1078.343566 1.304792 BFGS: 441 15:14:34 -1078.343590 1.302257 BFGS: 442 15:14:34 -1078.343599 1.300855 BFGS: 443 15:14:34 -1078.343604 1.299870 BFGS: 444 15:14:35 -1078.343605 1.299855 BFGS: 445 15:14:35 -1078.343607 1.300380 BFGS: 446 15:14:35 -1078.343607 1.300765 BFGS: 447 15:14:36 -1078.343608 1.301356 BFGS: 448 15:14:36 -1078.343609 1.301831 BFGS: 449 15:14:36 -1078.343611 1.302804 BFGS: 450 15:14:36 -1078.343616 1.304220 BFGS: 451 15:14:37 -1078.343629 1.306575 BFGS: 452 15:14:37 -1078.343664 1.310291 BFGS: 453 15:14:37 -1078.343755 1.316267 BFGS: 454 15:14:38 -1078.343991 1.325790 BFGS: 455 15:14:38 -1078.344611 1.340982 BFGS: 456 15:14:38 -1078.346228 1.365095 BFGS: 457 15:14:38 -1078.350451 1.403118 BFGS: 458 15:14:39 -1078.359559 1.449683 BFGS: 459 15:14:39 -1078.374029 1.491008 BFGS: 460 15:14:39 -1078.394949 1.526766 BFGS: 461 15:14:40 -1078.422610 1.557099 BFGS: 462 15:14:40 -1078.456897 1.582310 BFGS: 463 15:14:40 -1078.497524 1.602728 BFGS: 464 15:14:41 -1078.544145 1.618659 BFGS: 465 15:14:41 -1078.596409 1.630370 BFGS: 466 15:14:41 -1078.653982 1.638082 BFGS: 467 15:14:42 -1078.716551 1.641972 BFGS: 468 15:14:42 -1078.783824 1.642186 BFGS: 469 15:14:42 -1078.855524 1.638837 BFGS: 470 15:14:43 -1078.931380 1.632016 BFGS: 471 15:14:43 -1079.011126 1.621792 BFGS: 472 15:14:43 -1079.094489 1.608222 BFGS: 473 15:14:44 -1079.181188 1.591349 BFGS: 474 15:14:44 -1079.270931 1.571211 BFGS: 475 15:14:44 -1079.363406 1.547837 BFGS: 476 15:14:44 -1079.458284 1.521255 BFGS: 477 15:14:45 -1079.555215 1.491489 BFGS: 478 15:14:45 -1079.653826 1.458565 BFGS: 479 15:14:45 -1079.753724 1.422514 BFGS: 480 15:14:46 -1079.854491 1.383370 BFGS: 481 15:14:46 -1079.955687 1.341175 BFGS: 482 15:14:46 -1080.056850 1.295987 BFGS: 483 15:14:47 -1080.157492 1.247881 BFGS: 484 15:14:47 -1080.257107 1.196963 BFGS: 485 15:14:47 -1080.355164 1.143377 BFGS: 486 15:14:48 -1080.451110 1.087329 BFGS: 487 15:14:48 -1080.544372 1.029111 BFGS: 488 15:14:48 -1080.634354 0.969146 BFGS: 489 15:14:48 -1080.720442 0.908047 BFGS: 490 15:14:49 -1080.802004 0.846715 BFGS: 491 15:14:49 -1080.878400 0.840516 BFGS: 492 15:14:49 -1080.948985 0.881220 BFGS: 493 15:14:50 -1081.013131 0.922799 BFGS: 494 15:14:50 -1081.066389 0.961947 BFGS: 495 15:14:50 -1081.109765 0.998064 BFGS: 496 15:14:51 -1081.144867 1.030919 BFGS: 497 15:14:51 -1081.173257 1.060345 BFGS: 498 15:14:51 -1081.196349 1.102814 BFGS: 499 15:14:52 -1081.215308 1.148842 BFGS: 500 15:14:52 -1081.231006 1.189847 BFGS: 501 15:14:52 -1081.244064 1.225931 BFGS: 502 15:14:52 -1081.254939 1.257109 BFGS: 503 15:14:53 -1081.263998 1.283286 BFGS: 504 15:14:53 -1081.271559 1.304250 BFGS: 505 15:14:53 -1081.277919 1.319658 BFGS: 506 15:14:54 -1081.283360 1.329000 BFGS: 507 15:14:54 -1081.288148 1.331494 BFGS: 508 15:14:54 -1081.292521 1.325809 BFGS: 509 15:14:55 -1081.296676 1.309159 BFGS: 510 15:14:55 -1081.300090 1.282102 BFGS: 511 15:14:55 -1081.302731 1.248483 BFGS: 512 15:14:55 -1081.304472 1.217639 BFGS: 513 15:14:56 -1081.305340 1.201076 BFGS: 514 15:14:56 -1081.305762 1.193638 BFGS: 515 15:14:56 -1081.305937 1.191631 BFGS: 516 15:14:57 -1081.306007 1.191217 BFGS: 517 15:14:57 -1081.306031 1.191389 BFGS: 518 15:14:57 -1081.306061 1.191918 BFGS: 519 15:14:57 -1081.306083 1.192167 BFGS: 520 15:14:58 -1081.306200 1.192997 BFGS: 521 15:14:58 -1081.306447 1.193964 BFGS: 522 15:14:58 -1081.307151 1.195460 BFGS: 523 15:14:58 -1081.308934 1.197318 BFGS: 524 15:14:59 -1081.313647 1.199300 BFGS: 525 15:14:59 -1081.323956 1.199800 BFGS: 526 15:14:59 -1081.340029 1.197647 BFGS: 527 15:15:00 -1081.362085 1.193050 BFGS: 528 15:15:00 -1081.389840 1.186381 BFGS: 529 15:15:00 -1081.422706 1.177985 BFGS: 530 15:15:01 -1081.460056 1.168142 BFGS: 531 15:15:01 -1081.501318 1.157070 BFGS: 532 15:15:01 -1081.545991 1.144944 BFGS: 533 15:15:01 -1081.593646 1.131901 BFGS: 534 15:15:02 -1081.643907 1.118051 BFGS: 535 15:15:02 -1081.696444 1.103486 BFGS: 536 15:15:02 -1081.750962 1.088283 BFGS: 537 15:15:03 -1081.807190 1.072508 BFGS: 538 15:15:03 -1081.864880 1.059332 BFGS: 539 15:15:03 -1081.923799 1.045722 BFGS: 540 15:15:04 -1081.983728 1.031300 BFGS: 541 15:15:04 -1082.044461 1.016141 BFGS: 542 15:15:04 -1082.105803 1.000318 BFGS: 543 15:15:04 -1082.167568 0.983899 BFGS: 544 15:15:05 -1082.229585 0.966949 BFGS: 545 15:15:05 -1082.291692 0.949532 BFGS: 546 15:15:05 -1082.353737 0.931710 BFGS: 547 15:15:06 -1082.415583 0.913542 BFGS: 548 15:15:06 -1082.477101 0.895086 BFGS: 549 15:15:06 -1082.538176 0.876401 BFGS: 550 15:15:07 -1082.598705 0.857541 BFGS: 551 15:15:07 -1082.658595 0.838565 BFGS: 552 15:15:07 -1082.717765 0.819529 BFGS: 553 15:15:07 -1082.776147 0.800490 BFGS: 554 15:15:08 -1082.833683 0.781510 BFGS: 555 15:15:08 -1082.890324 0.762651 BFGS: 556 15:15:08 -1082.946037 0.743979 BFGS: 557 15:15:09 -1083.000795 0.725566 BFGS: 558 15:15:09 -1083.054586 0.707492 BFGS: 559 15:15:09 -1083.107408 0.689842 BFGS: 560 15:15:09 -1083.159273 0.672715 BFGS: 561 15:15:10 -1083.210204 0.656223 BFGS: 562 15:15:10 -1083.260242 0.640489 BFGS: 563 15:15:10 -1083.309442 0.625657 BFGS: 564 15:15:10 -1083.357882 0.611883 BFGS: 565 15:15:11 -1083.405656 0.599329 BFGS: 566 15:15:11 -1083.452887 0.588150 BFGS: 567 15:15:11 -1083.499717 0.578457 BFGS: 568 15:15:11 -1083.546310 0.570245 BFGS: 569 15:15:12 -1083.592833 0.563283 BFGS: 570 15:15:12 -1083.639437 0.556979 BFGS: 571 15:15:12 -1083.686233 0.550867 BFGS: 572 15:15:13 -1083.733290 0.544943 BFGS: 573 15:15:13 -1083.780615 0.539153 BFGS: 574 15:15:13 -1083.828197 0.533459 BFGS: 575 15:15:14 -1083.876011 0.528391 BFGS: 576 15:15:14 -1083.924026 0.523797 BFGS: 577 15:15:14 -1083.972205 0.519271 BFGS: 578 15:15:15 -1084.020511 0.514812 BFGS: 579 15:15:15 -1084.068906 0.510417 BFGS: 580 15:15:15 -1084.117350 0.506085 BFGS: 581 15:15:15 -1084.165807 0.501813 BFGS: 582 15:15:16 -1084.214243 0.497597 BFGS: 583 15:15:16 -1084.262624 0.493436 BFGS: 584 15:15:16 -1084.310920 0.489325 BFGS: 585 15:15:16 -1084.359103 0.485261 BFGS: 586 15:15:17 -1084.407147 0.481240 BFGS: 587 15:15:17 -1084.455029 0.477257 BFGS: 588 15:15:17 -1084.502727 0.473310 BFGS: 589 15:15:17 -1084.550223 0.469393 BFGS: 590 15:15:18 -1084.597499 0.465502 BFGS: 591 15:15:18 -1084.644540 0.461632 BFGS: 592 15:15:18 -1084.691333 0.457779 BFGS: 593 15:15:19 -1084.737864 0.453939 BFGS: 594 15:15:19 -1084.784124 0.450105 BFGS: 595 15:15:19 -1084.830100 0.446274 BFGS: 596 15:15:20 -1084.875784 0.442441 BFGS: 597 15:15:20 -1084.921167 0.438600 BFGS: 598 15:15:20 -1084.966239 0.434748 BFGS: 599 15:15:21 -1085.010992 0.430878 BFGS: 600 15:15:21 -1085.055417 0.426987 BFGS: 601 15:15:21 -1085.099506 0.423070 BFGS: 602 15:15:22 -1085.143249 0.419121 BFGS: 603 15:15:22 -1085.186636 0.415136 BFGS: 604 15:15:23 -1085.229657 0.411111 BFGS: 605 15:15:23 -1085.272301 0.407040 BFGS: 606 15:15:23 -1085.314556 0.402921 BFGS: 607 15:15:24 -1085.356409 0.398747 BFGS: 608 15:15:24 -1085.397846 0.394517 BFGS: 609 15:15:24 -1085.438850 0.390224 BFGS: 610 15:15:25 -1085.479407 0.385868 BFGS: 611 15:15:25 -1085.519497 0.381443 BFGS: 612 15:15:25 -1085.559101 0.376948 BFGS: 613 15:15:26 -1085.598199 0.372380 BFGS: 614 15:15:26 -1085.636766 0.367738 BFGS: 615 15:15:26 -1085.674778 0.363021 BFGS: 616 15:15:27 -1085.712209 0.358230 BFGS: 617 15:15:27 -1085.749031 0.353365 BFGS: 618 15:15:27 -1085.785212 0.348860 BFGS: 619 15:15:28 -1085.820720 0.344960 BFGS: 620 15:15:28 -1085.855521 0.340917 BFGS: 621 15:15:28 -1085.889577 0.336721 BFGS: 622 15:15:29 -1085.922847 0.332363 BFGS: 623 15:15:29 -1085.955291 0.327832 BFGS: 624 15:15:29 -1085.986862 0.323118 BFGS: 625 15:15:30 -1086.017513 0.318210 BFGS: 626 15:15:30 -1086.047194 0.313096 BFGS: 627 15:15:30 -1086.075850 0.307762 BFGS: 628 15:15:31 -1086.103425 0.302197 BFGS: 629 15:15:31 -1086.129859 0.296384 BFGS: 630 15:15:31 -1086.155087 0.292127 BFGS: 631 15:15:31 -1086.179044 0.294652 BFGS: 632 15:15:32 -1086.201658 0.297304 BFGS: 633 15:15:32 -1086.222856 0.300090 BFGS: 634 15:15:32 -1086.242561 0.303016 BFGS: 635 15:15:33 -1086.260690 0.306091 BFGS: 636 15:15:33 -1086.277162 0.309323 BFGS: 637 15:15:33 -1086.291889 0.312722 BFGS: 638 15:15:33 -1086.304784 0.316299 BFGS: 639 15:15:34 -1086.315762 0.320066 BFGS: 640 15:15:34 -1086.324740 0.324041 BFGS: 641 15:15:34 -1086.331652 0.328244 BFGS: 642 15:15:35 -1086.336462 0.332713 BFGS: 643 15:15:35 -1086.339236 0.337530 BFGS: 644 15:15:35 -1086.340259 0.340616 BFGS: 645 15:15:35 -1086.340778 0.343798 BFGS: 646 15:15:35 -1086.341109 0.345303 BFGS: 647 15:15:36 -1086.341478 0.347933 BFGS: 648 15:15:36 -1086.341715 0.352066 BFGS: 649 15:15:36 -1086.341887 0.351851 BFGS: 650 15:15:36 -1086.341985 0.350334 BFGS: 651 15:15:37 -1086.342065 0.347508 BFGS: 652 15:15:37 -1086.342129 0.346479 BFGS: 653 15:15:37 -1086.342173 0.346880 BFGS: 654 15:15:37 -1086.342189 0.347682 BFGS: 655 15:15:37 -1086.342199 0.348978 BFGS: 656 15:15:37 -1086.342200 0.349056 BFGS: 657 15:15:37 -1086.342209 0.348874 BFGS: 658 15:15:37 -1086.342219 0.348442 BFGS: 659 15:15:38 -1086.342249 0.347193 BFGS: 660 15:15:38 -1086.342319 0.345188 BFGS: 661 15:15:38 -1086.342508 0.341523 BFGS: 662 15:15:38 -1086.342993 0.337654 BFGS: 663 15:15:38 -1086.344267 0.338719 BFGS: 664 15:15:38 -1086.347587 0.341429 BFGS: 665 15:15:38 -1086.356245 0.348113 BFGS: 666 15:15:39 -1086.378624 0.364387 BFGS: 667 15:15:39 -1086.419557 0.386469 BFGS: 668 15:15:39 -1086.450849 0.395980 BFGS: 669 15:15:39 -1086.480364 0.400458 BFGS: 670 15:15:39 -1086.509152 0.402302 BFGS: 671 15:15:40 -1086.537507 0.402511 BFGS: 672 15:15:40 -1086.565530 0.401597 BFGS: 673 15:15:40 -1086.593255 0.399861 BFGS: 674 15:15:40 -1086.620694 0.397503 BFGS: 675 15:15:40 -1086.647844 0.394662 BFGS: 676 15:15:41 -1086.674700 0.391443 BFGS: 677 15:15:41 -1086.701256 0.387922 BFGS: 678 15:15:41 -1086.727503 0.384163 BFGS: 679 15:15:41 -1086.753435 0.380212 BFGS: 680 15:15:42 -1086.779048 0.376107 BFGS: 681 15:15:42 -1086.804335 0.371879 BFGS: 682 15:15:42 -1086.829293 0.367552 BFGS: 683 15:15:43 -1086.853919 0.363144 BFGS: 684 15:15:43 -1086.878211 0.358671 BFGS: 685 15:15:43 -1086.902166 0.354146 BFGS: 686 15:15:43 -1086.925784 0.349578 BFGS: 687 15:15:43 -1086.949062 0.344975 BFGS: 688 15:15:44 -1086.972002 0.340343 BFGS: 689 15:15:44 -1086.994601 0.335687 BFGS: 690 15:15:44 -1087.016861 0.331012 BFGS: 691 15:15:44 -1087.038781 0.326321 BFGS: 692 15:15:44 -1087.060361 0.321615 BFGS: 693 15:15:44 -1087.081601 0.316898 BFGS: 694 15:15:44 -1087.102502 0.312171 BFGS: 695 15:15:45 -1087.123064 0.307436 BFGS: 696 15:15:45 -1087.143288 0.302693 BFGS: 697 15:15:45 -1087.163174 0.297943 BFGS: 698 15:15:45 -1087.182722 0.293188 BFGS: 699 15:15:45 -1087.201933 0.288427 BFGS: 700 15:15:46 -1087.220807 0.283662 BFGS: 701 15:15:46 -1087.239346 0.278892 BFGS: 702 15:15:46 -1087.257550 0.274118 BFGS: 703 15:15:46 -1087.275418 0.269340 BFGS: 704 15:15:46 -1087.292953 0.264560 BFGS: 705 15:15:46 -1087.310154 0.259775 BFGS: 706 15:15:46 -1087.327022 0.254988 BFGS: 707 15:15:46 -1087.343558 0.250198 BFGS: 708 15:15:47 -1087.359762 0.245405 BFGS: 709 15:15:47 -1087.375636 0.240610 BFGS: 710 15:15:47 -1087.391178 0.235812 BFGS: 711 15:15:47 -1087.406391 0.231012 BFGS: 712 15:15:47 -1087.421275 0.226209 BFGS: 713 15:15:48 -1087.435830 0.221403 BFGS: 714 15:15:48 -1087.450057 0.216595 BFGS: 715 15:15:48 -1087.463957 0.211791 BFGS: 716 15:15:49 -1087.477529 0.206998 BFGS: 717 15:15:49 -1087.490774 0.202228 BFGS: 718 15:15:49 -1087.503692 0.197497 BFGS: 719 15:15:49 -1087.516286 0.192820 BFGS: 720 15:15:49 -1087.528556 0.188215 BFGS: 721 15:15:49 -1087.540506 0.183703 BFGS: 722 15:15:49 -1087.552139 0.179305 BFGS: 723 15:15:49 -1087.563460 0.175044 BFGS: 724 15:15:49 -1087.574476 0.170947 BFGS: 725 15:15:49 -1087.585194 0.167044 BFGS: 726 15:15:50 -1087.595624 0.163368 BFGS: 727 15:15:50 -1087.605777 0.159957 BFGS: 728 15:15:50 -1087.615668 0.156856 BFGS: 729 15:15:50 -1087.625312 0.154115 BFGS: 730 15:15:50 -1087.634730 0.151790 BFGS: 731 15:15:50 -1087.643944 0.149947 BFGS: 732 15:15:50 -1087.652984 0.148653 BFGS: 733 15:15:50 -1087.661880 0.147977 BFGS: 734 15:15:51 -1087.670669 0.147978 BFGS: 735 15:15:51 -1087.679389 0.148692 BFGS: 736 15:15:51 -1087.688081 0.150110 BFGS: 737 15:15:51 -1087.696776 0.152224 BFGS: 738 15:15:51 -1087.705625 0.153985 BFGS: 739 15:15:51 -1087.714529 0.155549 BFGS: 740 15:15:51 -1087.723363 0.156898 BFGS: 741 15:15:51 -1087.731750 0.157883 BFGS: 742 15:15:52 -1087.740163 0.158570 BFGS: 743 15:15:52 -1087.748419 0.157850 BFGS: 744 15:15:52 -1087.756594 0.155365 BFGS: 745 15:15:52 -1087.764527 0.150836 BFGS: 746 15:15:52 -1087.772206 0.144127 BFGS: 747 15:15:52 -1087.779510 0.135346 BFGS: 748 15:15:52 -1087.786404 0.124696 BFGS: 749 15:15:52 -1087.792809 0.112581 BFGS: 750 15:15:52 -1087.798701 0.099413 BFGS: 751 15:15:52 -1087.804048 0.085700 BFGS: 752 15:15:53 -1087.808852 0.071895 BFGS: 753 15:15:53 -1087.813119 0.058504 BFGS: 754 15:15:53 -1087.816873 0.046040 BFGS: 755 15:15:53 -1087.820143 0.039054 BFGS: 756 15:15:53 -1087.822966 0.033326 BFGS: 757 15:15:53 -1087.825378 0.028017 BFGS: 758 15:15:53 -1087.827416 0.027126 BFGS: 759 15:15:54 -1087.829115 0.026717 BFGS: 760 15:15:54 -1087.830509 0.030167 BFGS: 761 15:15:54 -1087.831626 0.032635 BFGS: 762 15:15:54 -1087.832489 0.032742 BFGS: 763 15:15:54 -1087.833118 0.028500 BFGS: 764 15:15:54 -1087.833437 0.019949 BFGS: 765 15:15:54 -1087.833645 0.008955 BFGS: 766 15:15:54 -1087.833728 0.001157 BFGS: 767 15:15:54 -1087.833736 0.000271 BFGS: 768 15:15:55 -1087.833736 0.000060 BFGS: 769 15:15:55 -1087.833736 0.000015 BFGS: 770 15:15:55 -1087.833736 0.000007 BFGS: 771 15:15:55 -1087.833736 0.000001 BFGS: 772 15:15:55 -1087.833736 0.000000 BFGS: 773 15:15:55 -1087.833736 0.000000 BFGS: 774 15:15:55 -1087.833736 0.000000 BFGS: 775 15:15:55 -1087.833736 0.000000 Minimization converged after 775 steps. Maximum force component: 4.6567965983916e-09 eV/Angstrom Maximum stress component: 1.253851228465653e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[6.89844737e-02 9.31015526e-01 1.31880182e-01] [6.89844737e-02 1.37968947e-01 1.31880182e-01] [8.62031053e-01 9.31015526e-01 1.31880182e-01] [9.31015526e-01 6.89844737e-02 8.68119818e-01] [1.37968947e-01 6.89844737e-02 8.68119818e-01] [9.31015526e-01 8.62031053e-01 8.68119818e-01] [7.35651140e-01 2.64348860e-01 4.65213515e-01] [7.35651140e-01 4.71302281e-01 4.65213515e-01] [5.28697719e-01 2.64348860e-01 4.65213515e-01] [5.97682193e-01 4.02317807e-01 2.01453152e-01] [8.04635614e-01 4.02317807e-01 2.01453152e-01] [5.97682193e-01 1.95364386e-01 2.01453152e-01] [4.02317807e-01 5.97682193e-01 7.98546848e-01] [4.02317807e-01 8.04635614e-01 7.98546848e-01] [1.95364386e-01 5.97682193e-01 7.98546848e-01] [2.64348860e-01 7.35651140e-01 5.34786485e-01] [4.71302281e-01 7.35651140e-01 5.34786485e-01] [2.64348860e-01 5.28697719e-01 5.34786485e-01] [8.52353212e-02 9.14764679e-01 6.50224280e-02] [8.52353212e-02 1.70470642e-01 6.50224280e-02] [8.29529358e-01 9.14764679e-01 6.50224280e-02] [9.14764679e-01 8.52353212e-02 9.34977572e-01] [1.70470642e-01 8.52353212e-02 9.34977572e-01] [9.14764679e-01 8.29529358e-01 9.34977572e-01] [7.51901988e-01 2.48098012e-01 3.98355761e-01] [7.51901988e-01 5.03803976e-01 3.98355761e-01] [4.96196024e-01 2.48098012e-01 3.98355761e-01] [5.81431345e-01 4.18568655e-01 2.68310905e-01] [8.37137309e-01 4.18568655e-01 2.68310905e-01] [5.81431345e-01 1.62862691e-01 2.68310905e-01] [4.18568655e-01 5.81431345e-01 7.31689095e-01] [4.18568655e-01 8.37137309e-01 7.31689095e-01] [1.62862691e-01 5.81431345e-01 7.31689095e-01] [2.48098012e-01 7.51901988e-01 6.01644239e-01] [5.03803976e-01 7.51901988e-01 6.01644239e-01] [2.48098012e-01 4.96196024e-01 6.01644239e-01] [6.86756146e-01 1.22691124e-01 1.56006229e-01] [8.77308876e-01 5.64065022e-01 1.56006229e-01] [4.35934978e-01 3.13243854e-01 1.56006229e-01] [1.22691124e-01 6.86756146e-01 8.43993771e-01] [5.64065022e-01 8.77308876e-01 8.43993771e-01] [3.13243854e-01 4.35934978e-01 8.43993771e-01] [3.53422813e-01 4.56024457e-01 4.89339562e-01] [5.43975543e-01 8.97398355e-01 4.89339562e-01] [1.02601645e-01 6.46577187e-01 4.89339562e-01] [7.89357791e-01 2.00894793e-02 1.77327105e-01] [2.30731689e-01 2.10642209e-01 1.77327105e-01] [9.79910521e-01 7.69268311e-01 1.77327105e-01] [2.00894793e-02 7.89357791e-01 8.22672895e-01] [2.10642209e-01 2.30731689e-01 8.22672895e-01] [7.69268311e-01 9.79910521e-01 8.22672895e-01] [4.56024457e-01 3.53422813e-01 5.10660438e-01] [8.97398355e-01 5.43975543e-01 5.10660438e-01] [6.46577187e-01 1.02601645e-01 5.10660438e-01] [3.13243854e-01 8.77308876e-01 8.43993771e-01] [1.22691124e-01 4.35934978e-01 8.43993771e-01] [5.64065022e-01 6.86756146e-01 8.43993771e-01] [8.77308876e-01 3.13243854e-01 1.56006229e-01] [4.35934978e-01 1.22691124e-01 1.56006229e-01] [6.86756146e-01 5.64065022e-01 1.56006229e-01] [9.79910521e-01 2.10642209e-01 1.77327105e-01] [7.89357791e-01 7.69268311e-01 1.77327105e-01] [2.30731689e-01 2.00894793e-02 1.77327105e-01] [5.43975543e-01 6.46577187e-01 4.89339562e-01] [1.02601645e-01 4.56024457e-01 4.89339562e-01] [3.53422813e-01 8.97398355e-01 4.89339562e-01] [6.46577187e-01 5.43975543e-01 5.10660438e-01] [4.56024457e-01 1.02601645e-01 5.10660438e-01] [8.97398355e-01 3.53422813e-01 5.10660438e-01] [2.10642209e-01 9.79910521e-01 8.22672895e-01] [7.69268311e-01 7.89357791e-01 8.22672895e-01] [2.00894793e-02 2.30731689e-01 8.22672895e-01] [6.66638496e-01 1.40716678e-01 9.22550688e-02] [8.59283322e-01 5.25921818e-01 9.22550688e-02] [4.74078182e-01 3.33361504e-01 9.22550688e-02] [1.40716678e-01 6.66638496e-01 9.07744931e-01] [5.25921818e-01 8.59283322e-01 9.07744931e-01] [3.33361504e-01 4.74078182e-01 9.07744931e-01] [3.33305163e-01 4.74050011e-01 4.25588402e-01] [5.25949989e-01 8.59255151e-01 4.25588402e-01] [1.40744849e-01 6.66694837e-01 4.25588402e-01] [8.07383345e-01 9.99971829e-01 2.41078265e-01] [1.92588485e-01 1.92616655e-01 2.41078265e-01] [2.81706679e-05 8.07411515e-01 2.41078265e-01] [9.99971829e-01 8.07383345e-01 7.58921735e-01] [1.92616655e-01 1.92588485e-01 7.58921735e-01] [8.07411515e-01 2.81706679e-05 7.58921735e-01] [4.74050011e-01 3.33305163e-01 5.74411598e-01] [8.59255151e-01 5.25949989e-01 5.74411598e-01] [6.66694837e-01 1.40744849e-01 5.74411598e-01] [3.33361504e-01 8.59283322e-01 9.07744931e-01] [1.40716678e-01 4.74078182e-01 9.07744931e-01] [5.25921818e-01 6.66638496e-01 9.07744931e-01] [8.59283322e-01 3.33361504e-01 9.22550688e-02] [4.74078182e-01 1.40716678e-01 9.22550688e-02] [6.66638496e-01 5.25921818e-01 9.22550688e-02] [2.81706679e-05 1.92616655e-01 2.41078265e-01] [8.07383345e-01 8.07411515e-01 2.41078265e-01] [1.92588485e-01 9.99971829e-01 2.41078265e-01] [5.25949989e-01 6.66694837e-01 4.25588402e-01] [1.40744849e-01 4.74050011e-01 4.25588402e-01] [3.33305163e-01 8.59255151e-01 4.25588402e-01] [6.66694837e-01 5.25949989e-01 5.74411598e-01] [4.74050011e-01 1.40744849e-01 5.74411598e-01] [8.59255151e-01 3.33305163e-01 5.74411598e-01] [1.92616655e-01 2.81706679e-05 7.58921735e-01] [8.07411515e-01 8.07383345e-01 7.58921735e-01] [9.99971829e-01 1.92588485e-01 7.58921735e-01] [7.27383141e-01 6.83106355e-01 4.51806874e-02] [3.16893645e-01 4.42767860e-02 4.51806874e-02] [9.55723214e-01 2.72616859e-01 4.51806874e-02] [6.83106355e-01 7.27383141e-01 9.54819313e-01] [4.42767860e-02 3.16893645e-01 9.54819313e-01] [2.72616859e-01 9.55723214e-01 9.54819313e-01] [3.94049807e-01 1.64396881e-02 3.78514021e-01] [9.83560312e-01 3.77610119e-01 3.78514021e-01] [6.22389881e-01 6.05950193e-01 3.78514021e-01] [3.49773021e-01 6.07164741e-02 2.88152646e-01] [7.10943453e-01 6.50226979e-01 2.88152646e-01] [9.39283526e-01 2.89056547e-01 2.88152646e-01] [6.07164741e-02 3.49773021e-01 7.11847354e-01] [6.50226979e-01 7.10943453e-01 7.11847354e-01] [2.89056547e-01 9.39283526e-01 7.11847354e-01] [1.64396881e-02 3.94049807e-01 6.21485979e-01] [3.77610119e-01 9.83560312e-01 6.21485979e-01] [6.05950193e-01 6.22389881e-01 6.21485979e-01] [2.72616859e-01 3.16893645e-01 9.54819313e-01] [6.83106355e-01 9.55723214e-01 9.54819313e-01] [4.42767860e-02 7.27383141e-01 9.54819313e-01] [3.16893645e-01 2.72616859e-01 4.51806874e-02] [9.55723214e-01 6.83106355e-01 4.51806874e-02] [7.27383141e-01 4.42767860e-02 4.51806874e-02] [9.39283526e-01 6.50226979e-01 2.88152646e-01] [3.49773021e-01 2.89056547e-01 2.88152646e-01] [7.10943453e-01 6.07164741e-02 2.88152646e-01] [9.83560312e-01 6.05950193e-01 3.78514021e-01] [6.22389881e-01 1.64396881e-02 3.78514021e-01] [3.94049807e-01 3.77610119e-01 3.78514021e-01] [6.05950193e-01 9.83560312e-01 6.21485979e-01] [1.64396881e-02 6.22389881e-01 6.21485979e-01] [3.77610119e-01 3.94049807e-01 6.21485979e-01] [6.50226979e-01 9.39283526e-01 7.11847354e-01] [2.89056547e-01 3.49773021e-01 7.11847354e-01] [6.07164741e-02 7.10943453e-01 7.11847354e-01] [5.39300004e-01 8.70359449e-01 1.17844854e-02] [1.29640551e-01 6.68940555e-01 1.17844854e-02] [3.31059445e-01 4.60699996e-01 1.17844854e-02] [8.70359449e-01 5.39300004e-01 9.88215515e-01] [6.68940555e-01 1.29640551e-01 9.88215515e-01] [4.60699996e-01 3.31059445e-01 9.88215515e-01] [2.05966671e-01 2.03692782e-01 3.45117819e-01] [7.96307218e-01 2.27388833e-03 3.45117819e-01] [9.97726112e-01 7.94033329e-01 3.45117819e-01] [5.37026116e-01 8.72633337e-01 3.21548848e-01] [3.35607222e-01 4.62973884e-01 3.21548848e-01] [1.27366663e-01 6.64392778e-01 3.21548848e-01] [8.72633337e-01 5.37026116e-01 6.78451152e-01] [4.62973884e-01 3.35607222e-01 6.78451152e-01] [6.64392778e-01 1.27366663e-01 6.78451152e-01] [2.03692782e-01 2.05966671e-01 6.54882181e-01] [2.27388833e-03 7.96307218e-01 6.54882181e-01] [7.94033329e-01 9.97726112e-01 6.54882181e-01] [4.60699996e-01 1.29640551e-01 9.88215515e-01] [8.70359449e-01 3.31059445e-01 9.88215515e-01] [6.68940555e-01 5.39300004e-01 9.88215515e-01] [1.29640551e-01 4.60699996e-01 1.17844854e-02] [3.31059445e-01 8.70359449e-01 1.17844854e-02] [5.39300004e-01 6.68940555e-01 1.17844854e-02] [1.27366663e-01 4.62973884e-01 3.21548848e-01] [5.37026116e-01 6.64392778e-01 3.21548848e-01] [3.35607222e-01 8.72633337e-01 3.21548848e-01] [7.96307218e-01 7.94033329e-01 3.45117819e-01] [9.97726112e-01 2.03692782e-01 3.45117819e-01] [2.05966671e-01 2.27388833e-03 3.45117819e-01] [7.94033329e-01 7.96307218e-01 6.54882181e-01] [2.03692782e-01 9.97726112e-01 6.54882181e-01] [2.27388833e-03 2.05966671e-01 6.54882181e-01] [4.62973884e-01 1.27366663e-01 6.78451152e-01] [6.64392778e-01 5.37026116e-01 6.78451152e-01] [8.72633337e-01 3.35607222e-01 6.78451152e-01]] cellpar = Cell([[8.519805624904008, 1.926333354207141e-17, -5.2328210493180666e-36], [-4.259902812452004, 7.3783681064723385, -1.215999574670679e-35], [-1.1527568384553181e-35, -1.7759179457670276e-35, 25.578336344981256]]) forces = [[-4.03290415e-09 2.32839830e-09 -2.29572250e-10] [ 4.54921251e-25 -4.65679660e-09 -2.29572250e-10] [ 4.03290415e-09 2.32839830e-09 -2.29572250e-10] [ 4.03290415e-09 -2.32839830e-09 2.29572250e-10] [-4.03290415e-09 -2.32839830e-09 2.29572250e-10] [-4.13309445e-26 4.65679660e-09 2.29572250e-10] [-4.03290415e-09 2.32839830e-09 -2.29572250e-10] [-8.12722989e-25 -4.65679660e-09 -2.29572250e-10] [ 4.03290415e-09 2.32839830e-09 -2.29572250e-10] [ 4.03290415e-09 -2.32839830e-09 2.29572250e-10] [-4.03290415e-09 -2.32839830e-09 2.29572250e-10] [-8.68511557e-25 4.65679660e-09 2.29572250e-10] [-4.03290415e-09 2.32839830e-09 -2.29572250e-10] [ 9.22258199e-25 -4.65679660e-09 -2.29572250e-10] [ 4.03290415e-09 2.32839830e-09 -2.29572250e-10] [ 4.03290415e-09 -2.32839830e-09 2.29572250e-10] [-4.03290415e-09 -2.32839830e-09 2.29572250e-10] [-4.81794572e-25 4.65679660e-09 2.29572250e-10] [-4.50204338e-10 2.59925596e-10 -1.20887438e-09] [-1.44044878e-25 -5.19851191e-10 -1.20887438e-09] [ 4.50204338e-10 2.59925596e-10 -1.20887438e-09] [ 4.50204338e-10 -2.59925596e-10 1.20887438e-09] [-4.50204338e-10 -2.59925596e-10 1.20887438e-09] [ 3.39289708e-26 5.19851191e-10 1.20887438e-09] [-4.50204338e-10 2.59925596e-10 -1.20887438e-09] [-9.23460893e-26 -5.19851191e-10 -1.20887438e-09] [ 4.50204338e-10 2.59925596e-10 -1.20887438e-09] [ 4.50204338e-10 -2.59925596e-10 1.20887438e-09] [-4.50204338e-10 -2.59925596e-10 1.20887438e-09] [ 9.23460893e-26 5.19851191e-10 1.20887438e-09] [-4.50204338e-10 2.59925596e-10 -1.20887438e-09] [ 1.27885724e-25 -5.19851191e-10 -1.20887438e-09] [ 4.50204338e-10 2.59925596e-10 -1.20887438e-09] [ 4.50204338e-10 -2.59925596e-10 1.20887438e-09] [-4.50204338e-10 -2.59925596e-10 1.20887438e-09] [-7.28277709e-26 5.19851191e-10 1.20887438e-09] [-2.09652237e-09 -1.09336468e-09 -3.85687230e-10] [ 1.99514277e-09 -1.26895929e-09 -3.85687230e-10] [ 1.01379598e-10 2.36232397e-09 -3.85687230e-10] [ 1.01379598e-10 -2.36232397e-09 3.85687230e-10] [-2.09652237e-09 1.09336468e-09 3.85687230e-10] [ 1.99514277e-09 1.26895929e-09 3.85687230e-10] [-2.09652237e-09 -1.09336468e-09 -3.85687230e-10] [ 1.99514277e-09 -1.26895929e-09 -3.85687230e-10] [ 1.01379598e-10 2.36232397e-09 -3.85687230e-10] [ 1.01379598e-10 -2.36232397e-09 3.85687230e-10] [-2.09652237e-09 1.09336468e-09 3.85687230e-10] [ 1.99514277e-09 1.26895929e-09 3.85687230e-10] [-2.09652237e-09 -1.09336468e-09 -3.85687230e-10] [ 1.99514277e-09 -1.26895929e-09 -3.85687230e-10] [ 1.01379598e-10 2.36232397e-09 -3.85687230e-10] [ 1.01379598e-10 -2.36232397e-09 3.85687230e-10] [-2.09652237e-09 1.09336468e-09 3.85687230e-10] [ 1.99514277e-09 1.26895929e-09 3.85687230e-10] [ 2.09652237e-09 1.09336468e-09 3.85687230e-10] [-1.99514277e-09 1.26895929e-09 3.85687230e-10] [-1.01379598e-10 -2.36232397e-09 3.85687230e-10] [-1.01379598e-10 2.36232397e-09 -3.85687230e-10] [ 2.09652237e-09 -1.09336468e-09 -3.85687230e-10] [-1.99514277e-09 -1.26895929e-09 -3.85687230e-10] [ 2.09652237e-09 1.09336468e-09 3.85687230e-10] [-1.99514277e-09 1.26895929e-09 3.85687230e-10] [-1.01379598e-10 -2.36232397e-09 3.85687230e-10] [-1.01379598e-10 2.36232397e-09 -3.85687230e-10] [ 2.09652237e-09 -1.09336468e-09 -3.85687230e-10] [-1.99514277e-09 -1.26895929e-09 -3.85687230e-10] [ 2.09652237e-09 1.09336468e-09 3.85687230e-10] [-1.99514277e-09 1.26895929e-09 3.85687230e-10] [-1.01379598e-10 -2.36232397e-09 3.85687230e-10] [-1.01379598e-10 2.36232397e-09 -3.85687230e-10] [ 2.09652237e-09 -1.09336468e-09 -3.85687230e-10] [-1.99514277e-09 -1.26895929e-09 -3.85687230e-10] [ 5.52485082e-10 2.51043165e-09 8.41565092e-10] [-2.45034013e-09 -7.76749709e-10 8.41565092e-10] [ 1.89785504e-09 -1.73368194e-09 8.41565092e-10] [ 1.89785504e-09 1.73368194e-09 -8.41565092e-10] [ 5.52485082e-10 -2.51043165e-09 -8.41565092e-10] [-2.45034013e-09 7.76749709e-10 -8.41565092e-10] [ 5.52485082e-10 2.51043165e-09 8.41565092e-10] [-2.45034013e-09 -7.76749709e-10 8.41565092e-10] [ 1.89785504e-09 -1.73368194e-09 8.41565092e-10] [ 1.89785504e-09 1.73368194e-09 -8.41565092e-10] [ 5.52485082e-10 -2.51043165e-09 -8.41565092e-10] [-2.45034013e-09 7.76749709e-10 -8.41565092e-10] [ 5.52485082e-10 2.51043165e-09 8.41565092e-10] [-2.45034013e-09 -7.76749709e-10 8.41565092e-10] [ 1.89785504e-09 -1.73368194e-09 8.41565092e-10] [ 1.89785504e-09 1.73368194e-09 -8.41565092e-10] [ 5.52485082e-10 -2.51043165e-09 -8.41565092e-10] [-2.45034013e-09 7.76749709e-10 -8.41565092e-10] [-5.52485082e-10 -2.51043165e-09 -8.41565092e-10] [ 2.45034013e-09 7.76749709e-10 -8.41565092e-10] [-1.89785504e-09 1.73368194e-09 -8.41565092e-10] [-1.89785504e-09 -1.73368194e-09 8.41565092e-10] [-5.52485082e-10 2.51043165e-09 8.41565092e-10] [ 2.45034013e-09 -7.76749709e-10 8.41565092e-10] [-5.52485082e-10 -2.51043165e-09 -8.41565092e-10] [ 2.45034013e-09 7.76749709e-10 -8.41565092e-10] [-1.89785504e-09 1.73368194e-09 -8.41565092e-10] [-1.89785504e-09 -1.73368194e-09 8.41565092e-10] [-5.52485082e-10 2.51043165e-09 8.41565092e-10] [ 2.45034013e-09 -7.76749709e-10 8.41565092e-10] [-5.52485082e-10 -2.51043165e-09 -8.41565092e-10] [ 2.45034013e-09 7.76749709e-10 -8.41565092e-10] [-1.89785504e-09 1.73368194e-09 -8.41565092e-10] [-1.89785504e-09 -1.73368194e-09 8.41565092e-10] [-5.52485082e-10 2.51043165e-09 8.41565092e-10] [ 2.45034013e-09 -7.76749709e-10 8.41565092e-10] [-1.16098025e-09 1.47394267e-09 -3.06463999e-10] [-6.95981674e-10 -1.74240973e-09 -3.06463999e-10] [ 1.85696192e-09 2.68467052e-10 -3.06463999e-10] [ 1.85696192e-09 -2.68467052e-10 3.06463999e-10] [-1.16098025e-09 -1.47394267e-09 3.06463999e-10] [-6.95981674e-10 1.74240973e-09 3.06463999e-10] [-1.16098025e-09 1.47394267e-09 -3.06463999e-10] [-6.95981674e-10 -1.74240973e-09 -3.06463999e-10] [ 1.85696192e-09 2.68467052e-10 -3.06463999e-10] [ 1.85696192e-09 -2.68467052e-10 3.06463999e-10] [-1.16098025e-09 -1.47394267e-09 3.06463999e-10] [-6.95981674e-10 1.74240973e-09 3.06463999e-10] [-1.16098025e-09 1.47394267e-09 -3.06463999e-10] [-6.95981674e-10 -1.74240973e-09 -3.06463999e-10] [ 1.85696192e-09 2.68467052e-10 -3.06463999e-10] [ 1.85696192e-09 -2.68467052e-10 3.06463999e-10] [-1.16098025e-09 -1.47394267e-09 3.06463999e-10] [-6.95981674e-10 1.74240973e-09 3.06463999e-10] [ 1.16098025e-09 -1.47394267e-09 3.06463999e-10] [ 6.95981674e-10 1.74240973e-09 3.06463999e-10] [-1.85696192e-09 -2.68467052e-10 3.06463999e-10] [-1.85696192e-09 2.68467052e-10 -3.06463999e-10] [ 1.16098025e-09 1.47394267e-09 -3.06463999e-10] [ 6.95981674e-10 -1.74240973e-09 -3.06463999e-10] [ 1.16098025e-09 -1.47394267e-09 3.06463999e-10] [ 6.95981674e-10 1.74240973e-09 3.06463999e-10] [-1.85696192e-09 -2.68467052e-10 3.06463999e-10] [-1.85696192e-09 2.68467052e-10 -3.06463999e-10] [ 1.16098025e-09 1.47394267e-09 -3.06463999e-10] [ 6.95981674e-10 -1.74240973e-09 -3.06463999e-10] [ 1.16098025e-09 -1.47394267e-09 3.06463999e-10] [ 6.95981674e-10 1.74240973e-09 3.06463999e-10] [-1.85696192e-09 -2.68467052e-10 3.06463999e-10] [-1.85696192e-09 2.68467052e-10 -3.06463999e-10] [ 1.16098025e-09 1.47394267e-09 -3.06463999e-10] [ 6.95981674e-10 -1.74240973e-09 -3.06463999e-10] [-6.62004249e-10 2.40522363e-09 1.60722503e-09] [-1.75198264e-09 -1.77592431e-09 1.60722503e-09] [ 2.41398689e-09 -6.29299319e-10 1.60722503e-09] [ 2.41398689e-09 6.29299319e-10 -1.60722503e-09] [-6.62004249e-10 -2.40522363e-09 -1.60722503e-09] [-1.75198264e-09 1.77592431e-09 -1.60722503e-09] [-6.62004249e-10 2.40522363e-09 1.60722503e-09] [-1.75198264e-09 -1.77592431e-09 1.60722503e-09] [ 2.41398689e-09 -6.29299319e-10 1.60722503e-09] [ 2.41398689e-09 6.29299319e-10 -1.60722503e-09] [-6.62004249e-10 -2.40522363e-09 -1.60722503e-09] [-1.75198264e-09 1.77592431e-09 -1.60722503e-09] [-6.62004249e-10 2.40522363e-09 1.60722503e-09] [-1.75198264e-09 -1.77592431e-09 1.60722503e-09] [ 2.41398689e-09 -6.29299319e-10 1.60722503e-09] [ 2.41398689e-09 6.29299319e-10 -1.60722503e-09] [-6.62004249e-10 -2.40522363e-09 -1.60722503e-09] [-1.75198264e-09 1.77592431e-09 -1.60722503e-09] [ 6.62004249e-10 -2.40522363e-09 -1.60722503e-09] [ 1.75198264e-09 1.77592431e-09 -1.60722503e-09] [-2.41398689e-09 6.29299319e-10 -1.60722503e-09] [-2.41398689e-09 -6.29299319e-10 1.60722503e-09] [ 6.62004249e-10 2.40522363e-09 1.60722503e-09] [ 1.75198264e-09 -1.77592431e-09 1.60722503e-09] [ 6.62004249e-10 -2.40522363e-09 -1.60722503e-09] [ 1.75198264e-09 1.77592431e-09 -1.60722503e-09] [-2.41398689e-09 6.29299319e-10 -1.60722503e-09] [-2.41398689e-09 -6.29299319e-10 1.60722503e-09] [ 6.62004249e-10 2.40522363e-09 1.60722503e-09] [ 1.75198264e-09 -1.77592431e-09 1.60722503e-09] [ 6.62004249e-10 -2.40522363e-09 -1.60722503e-09] [ 1.75198264e-09 1.77592431e-09 -1.60722503e-09] [-2.41398689e-09 6.29299319e-10 -1.60722503e-09] [-2.41398689e-09 -6.29299319e-10 1.60722503e-09] [ 6.62004249e-10 2.40522363e-09 1.60722503e-09] [ 1.75198264e-09 -1.77592431e-09 1.60722503e-09]] stress = [-6.42208458e-11 -6.42208458e-11 -1.25385123e-10 -1.48619327e-32 -3.86124338e-32 1.57690902e-26] energy per atom = -6.043520756041852 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0