element(s): ['C'] AFLOW prototype label: A_oI120_71_lmn6o Parameter names: ['a', 'b/a', 'c/a', 'y1', 'z1', 'x2', 'z2', 'x3', 'y3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['16.9765', '0.53839131', '0.53253026', '0.087794084', '0.41181715', '0.79695569', '0.077206239', '0.95291847', '0.41287669', '0.84820465', '0.25285259', '0.080318454', '0.91460436', '0.33504004', '0.12991053', '0.82302819', '0.12822295', '0.15791096', '0.95658327', '0.28466999', '0.25169645', '0.86554334', '0.080688437', '0.28688349', '0.93091231', '0.15926312', '0.33373657'] model name: MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] representative atom coordinates = [[0. 0.58818285 0.08779408] [0.79695569 0.92279376 0. ] [0.95291847 0. 0.41287669] [0.34820465 0.41968155 0.75285259] [0.41460436 0.37008947 0.83504004] [0.32302819 0.34208904 0.62822295] [0.45658327 0.24830355 0.78466999] [0.36554334 0.21311651 0.58068844] [0.43091231 0.16626343 0.65926312]] spacegroup = 71 cell = [[16.9765, 0, 0], [0, 9.0405, 0], [0, 0, 9.14]] ========================================= Step Time Energy fmax BFGS: 0 13:12:56 671.784672 132.818535 BFGS: 1 13:12:57 422.152747 54.728062 BFGS: 2 13:12:58 243.595220 45.101968 BFGS: 3 13:12:58 76.760468 35.375842 BFGS: 4 13:12:59 -39.154424 35.160063 BFGS: 5 13:13:01 -141.120950 28.412699 BFGS: 6 13:13:02 -233.723807 26.813125 BFGS: 7 13:13:06 -320.434545 27.077270 BFGS: 8 13:13:09 -398.509752 29.257925 BFGS: 9 13:13:13 -459.869925 23.747236 BFGS: 10 13:13:16 -520.289817 21.432962 BFGS: 11 13:13:19 -565.795587 25.742958 BFGS: 12 13:13:21 -605.850395 14.135529 BFGS: 13 13:13:25 -641.571435 13.867038 BFGS: 14 13:13:29 -674.814909 12.591336 BFGS: 15 13:13:32 -703.335961 12.263552 BFGS: 16 13:13:35 -730.419134 11.309604 BFGS: 17 13:13:37 -754.549925 11.201854 BFGS: 18 13:13:39 -776.639999 10.350891 BFGS: 19 13:13:41 -797.901561 10.503091 BFGS: 20 13:13:42 -819.734076 11.054032 BFGS: 21 13:13:47 -841.749013 13.635604 BFGS: 22 13:13:48 -864.801860 19.592709 BFGS: 23 13:13:49 -887.382220 31.622693 BFGS: 24 13:13:52 -915.389878 24.725472 BFGS: 25 13:13:55 -946.252451 31.989598 BFGS: 26 13:13:59 -977.700957 42.424980 BFGS: 27 13:14:02 -1009.226993 59.344411 BFGS: 28 13:14:04 -1041.895507 83.056700 BFGS: 29 13:14:06 -1075.861779 110.280828 BFGS: 30 13:14:08 -1111.594776 146.927621 BFGS: 31 13:14:09 -1147.789977 175.227072 BFGS: 32 13:14:14 -1184.808066 213.831067 BFGS: 33 13:14:16 -1221.403995 245.846469 BFGS: 34 13:14:17 -1255.226274 274.375034 BFGS: 35 13:14:19 -1286.601015 307.508602 BFGS: 36 13:14:21 -1312.687688 329.387457 BFGS: 37 13:14:24 -1335.505530 362.704435 BFGS: 38 13:14:27 -1353.297711 376.343568 BFGS: 39 13:14:28 -1368.786727 391.360463 BFGS: 40 13:14:29 -1381.698472 399.128331 BFGS: 41 13:14:31 -1391.602956 398.953959 BFGS: 42 13:14:32 -1401.004063 391.645518 BFGS: 43 13:14:34 -1409.542991 381.792326 BFGS: 44 13:14:35 -1419.128454 368.724845 BFGS: 45 13:14:36 -1428.963212 357.441359 BFGS: 46 13:14:38 -1440.163626 342.391369 BFGS: 47 13:14:40 -1452.889143 328.718571 BFGS: 48 13:14:42 -1466.490084 314.128011 BFGS: 49 13:14:43 -1480.978880 300.774840 BFGS: 50 13:14:45 -1496.277844 286.109018 BFGS: 51 13:14:47 -1512.559830 270.683148 BFGS: 52 13:14:49 -1529.374511 251.858047 BFGS: 53 13:14:50 -1546.615671 230.338977 BFGS: 54 13:14:52 -1563.003242 204.452066 BFGS: 55 13:14:52 -1578.272730 179.777616 BFGS: 56 13:14:54 -1591.500809 150.857965 BFGS: 57 13:14:56 -1602.479313 128.171047 BFGS: 58 13:14:57 -1610.921827 105.828330 BFGS: 59 13:14:57 -1616.404030 89.154603 BFGS: 60 13:14:58 -1620.776329 74.665743 BFGS: 61 13:14:59 -1624.014737 63.723769 BFGS: 62 13:15:00 -1626.802514 53.636698 BFGS: 63 13:15:01 -1628.555797 46.590661 BFGS: 64 13:15:03 -1630.132273 40.658500 BFGS: 65 13:15:04 -1631.325807 36.509630 BFGS: 66 13:15:05 -1632.451759 33.138308 BFGS: 67 13:15:06 -1633.467438 30.603860 BFGS: 68 13:15:07 -1634.493824 28.555407 BFGS: 69 13:15:09 -1635.504750 26.944732 BFGS: 70 13:15:10 -1636.481482 25.773025 BFGS: 71 13:15:11 -1637.385517 25.058700 BFGS: 72 13:15:11 -1638.143725 24.766041 BFGS: 73 13:15:14 -1638.776063 24.768350 BFGS: 74 13:15:15 -1639.295806 24.965140 BFGS: 75 13:15:17 -1639.727972 25.278816 BFGS: 76 13:15:21 -1640.086773 25.667377 BFGS: 77 13:15:22 -1640.384016 26.107717 BFGS: 78 13:15:23 -1640.626541 26.586199 BFGS: 79 13:15:25 -1640.819995 27.093405 BFGS: 80 13:15:26 -1640.968590 27.620820 BFGS: 81 13:15:27 -1644.081992 101.241442 BFGS: 82 13:15:27 -1644.752198 110.389777 BFGS: 83 13:15:28 -1645.157934 117.197575 BFGS: 84 13:15:28 -1645.462643 127.906269 BFGS: 85 13:15:30 -1645.726808 134.857683 BFGS: 86 13:15:31 -1645.920086 142.751221 BFGS: 87 13:15:34 -1646.122624 152.672393 BFGS: 88 13:15:34 -1646.343579 164.756132 BFGS: 89 13:15:35 -1646.590230 177.941512 BFGS: 90 13:15:35 -1647.025886 193.244781 BFGS: 91 13:15:35 -1648.159427 213.754967 BFGS: 92 13:15:36 -1650.836445 242.922549 BFGS: 93 13:15:36 -1656.275915 283.523642 BFGS: 94 13:15:37 -1666.841298 333.696671 BFGS: 95 13:15:38 -1682.979862 374.303300 BFGS: 96 13:15:42 -1700.908369 388.241330 BFGS: 97 13:15:43 -1722.762118 380.357208 BFGS: 98 13:15:44 -1755.908636 341.428995 BFGS: 99 13:15:46 -1789.022532 283.402843 BFGS: 100 13:15:49 -1811.977545 228.698160 BFGS: 101 13:15:52 -1829.775128 197.335297 BFGS: 102 13:15:55 -1845.304418 166.058300 BFGS: 103 13:15:57 -1858.725558 139.760170 BFGS: 104 13:16:00 -1870.238111 114.347532 BFGS: 105 13:16:02 -1879.494849 94.382528 BFGS: 106 13:16:04 -1886.548181 78.695328 BFGS: 107 13:16:04 -1892.147835 67.276810 BFGS: 108 13:16:05 -1896.938501 57.799840 BFGS: 109 13:16:05 -1901.240564 50.023417 BFGS: 110 13:16:06 -1905.293299 43.138854 BFGS: 111 13:16:06 -1909.267200 36.958981 BFGS: 112 13:16:07 -1913.268585 31.236020 BFGS: 113 13:16:08 -1917.318799 25.932507 BFGS: 114 13:16:09 -1921.418622 21.038341 BFGS: 115 13:16:10 -1925.557110 16.561777 BFGS: 116 13:16:11 -1929.720065 12.680009 BFGS: 117 13:16:12 -1933.897720 14.865193 BFGS: 118 13:16:13 -1938.033028 18.071145 BFGS: 119 13:16:14 -1941.660855 21.213827 BFGS: 120 13:16:14 -1945.978666 24.415480 BFGS: 121 13:16:15 -1950.424584 27.686434 BFGS: 122 13:16:15 -1955.107036 31.084349 BFGS: 123 13:16:16 -1960.035010 34.694573 BFGS: 124 13:16:17 -1965.705018 38.717754 BFGS: 125 13:16:17 -1973.069458 43.513314 BFGS: 126 13:16:17 -1982.246403 48.790146 BFGS: 127 13:16:18 -1994.127582 54.578996 BFGS: 128 13:16:19 -2009.997958 61.130410 BFGS: 129 13:16:21 -2030.775124 68.083330 BFGS: 130 13:16:22 -2054.736331 73.564234 BFGS: 131 13:16:22 -2079.989583 76.250322 BFGS: 132 13:16:23 -2102.817061 80.038189 BFGS: 133 13:16:23 -2122.248325 84.886803 BFGS: 134 13:16:23 -2137.297690 75.533742 BFGS: 135 13:16:25 -2148.433991 57.097432 BFGS: 136 13:16:27 -2158.964682 48.530230 BFGS: 137 13:16:30 -2171.360977 46.521971 BFGS: 138 13:16:32 -2184.938484 44.524971 BFGS: 139 13:16:34 -2199.372788 41.918464 BFGS: 140 13:16:35 -2219.262448 39.707370 BFGS: 141 13:16:36 -2245.112372 40.011375 BFGS: 142 13:16:37 -2275.283096 42.798352 BFGS: 143 13:16:38 -2308.021009 76.319902 BFGS: 144 13:16:39 -2333.783579 131.087651 BFGS: 145 13:16:40 -2375.608353 38.504156 BFGS: 146 13:16:41 -2395.146027 40.251081 BFGS: 147 13:16:42 -2415.054573 54.235104 BFGS: 148 13:16:43 -2419.661072 60.296089 BFGS: 149 13:16:44 -2435.802693 52.998712 BFGS: 150 13:16:45 -2441.487476 49.361011 BFGS: 151 13:16:45 -2447.015653 45.439340 BFGS: 152 13:16:46 -2452.730894 41.148351 BFGS: 153 13:16:48 -2458.496163 36.721027 BFGS: 154 13:16:52 -2464.500153 31.990258 BFGS: 155 13:16:55 -2470.877298 29.839481 BFGS: 156 13:16:57 -2477.710722 30.606790 BFGS: 157 13:16:57 -2488.294905 30.636346 BFGS: 158 13:16:58 -2510.038135 31.053824 BFGS: 159 13:17:00 -2542.074875 62.067361 BFGS: 160 13:17:01 -2564.842785 78.137672 BFGS: 161 13:17:02 -2578.822705 71.858871 BFGS: 162 13:17:02 -2590.196261 69.309164 BFGS: 163 13:17:03 -2601.164026 66.491984 BFGS: 164 13:17:06 -2611.937097 63.308835 BFGS: 165 13:17:10 -2622.193479 65.462082 BFGS: 166 13:17:11 -2631.253989 72.422095 BFGS: 167 13:17:12 -2638.565852 76.954076 BFGS: 168 13:17:13 -2644.244454 79.440453 BFGS: 169 13:17:15 -2648.729853 80.468132 BFGS: 170 13:17:16 -2652.490059 80.976846 BFGS: 171 13:17:16 -2655.766027 80.853995 BFGS: 172 13:17:19 -2658.785116 80.972743 BFGS: 173 13:17:21 -2661.555991 80.356101 BFGS: 174 13:17:24 -2664.263811 80.593219 BFGS: 175 13:17:27 -2666.781093 79.666404 BFGS: 176 13:17:30 -2669.301996 79.724728 BFGS: 177 13:17:33 -2671.703908 79.066677 BFGS: 178 13:17:36 -2674.082299 78.763209 BFGS: 179 13:17:39 -2676.401919 78.262488 BFGS: 180 13:17:40 -2678.689446 77.835196 BFGS: 181 13:17:41 -2680.939542 77.350416 BFGS: 182 13:17:43 -2683.160130 76.870601 BFGS: 183 13:17:45 -2685.351634 76.362987 BFGS: 184 13:17:45 -2687.517351 75.843596 BFGS: 185 13:17:46 -2689.658633 75.303250 BFGS: 186 13:17:47 -2691.777498 74.752221 BFGS: 187 13:17:48 -2693.875375 75.422784 BFGS: 188 13:17:48 -2695.953826 76.072484 BFGS: 189 13:17:49 -2698.014172 76.698269 BFGS: 190 13:17:49 -2700.057692 77.296335 BFGS: 191 13:17:50 -2702.085472 77.862919 BFGS: 192 13:17:50 -2704.098470 78.393663 BFGS: 193 13:17:50 -2706.097434 78.884383 BFGS: 194 13:17:50 -2708.082913 79.330353 BFGS: 195 13:17:51 -2710.055225 79.726861 BFGS: 196 13:17:53 -2712.014432 80.068960 BFGS: 197 13:17:55 -2713.960360 80.351648 BFGS: 198 13:17:56 -2715.892592 80.569951 BFGS: 199 13:17:57 -2717.810483 80.718983 BFGS: 200 13:17:57 -2719.713166 80.793912 BFGS: 201 13:17:58 -2721.599596 80.790281 BFGS: 202 13:17:59 -2723.468568 80.703831 BFGS: 203 13:17:59 -2725.318722 80.530906 BFGS: 204 13:18:00 -2727.148587 80.268482 BFGS: 205 13:18:00 -2728.956623 79.914241 BFGS: 206 13:18:01 -2730.741196 79.466660 BFGS: 207 13:18:03 -2732.500615 78.925290 BFGS: 208 13:18:04 -2734.233193 78.290658 BFGS: 209 13:18:05 -2735.937287 77.564186 BFGS: 210 13:18:06 -2737.611362 76.748390 BFGS: 211 13:18:08 -2739.254006 75.846666 BFGS: 212 13:18:09 -2740.863901 74.863079 BFGS: 213 13:18:09 -2742.439928 73.802841 BFGS: 214 13:18:10 -2743.981051 72.671091 BFGS: 215 13:18:12 -2745.486482 71.474478 BFGS: 216 13:18:13 -2746.955529 70.218428 BFGS: 217 13:18:15 -2748.387751 68.910559 BFGS: 218 13:18:16 -2749.782810 67.555764 BFGS: 219 13:18:18 -2751.140604 66.162418 BFGS: 220 13:18:19 -2752.461107 64.734194 BFGS: 221 13:18:21 -2753.744529 63.280774 BFGS: 222 13:18:23 -2754.991071 61.802731 BFGS: 223 13:18:24 -2756.201504 60.362322 BFGS: 224 13:18:25 -2757.389809 59.599652 BFGS: 225 13:18:25 -2758.655860 61.824336 BFGS: 226 13:18:26 -2761.377255 68.833144 BFGS: 227 13:18:27 -2763.052079 69.018969 BFGS: 228 13:18:27 -2784.644683 70.920938 BFGS: 229 13:18:28 -2796.058657 53.515930 BFGS: 230 13:18:29 -2802.111633 50.542545 BFGS: 231 13:18:30 -2807.574148 47.520865 BFGS: 232 13:18:31 -2814.773303 43.453533 BFGS: 233 13:18:34 -2826.837423 34.815982 BFGS: 234 13:18:36 -2839.379689 30.351427 BFGS: 235 13:18:37 -2850.709329 41.607180 BFGS: 236 13:18:39 -2861.448597 72.870342 BFGS: 237 13:18:40 -2871.198994 88.094422 BFGS: 238 13:18:42 -2876.763803 42.179848 BFGS: 239 13:18:43 -2880.265521 29.395566 BFGS: 240 13:18:44 -2884.713015 18.791724 BFGS: 241 13:18:44 -2887.450202 19.496195 BFGS: 242 13:18:44 -2889.874642 19.218873 BFGS: 243 13:18:46 -2891.447650 18.994278 BFGS: 244 13:18:47 -2892.419009 18.707592 BFGS: 245 13:18:48 -2892.993226 18.172553 BFGS: 246 13:18:50 -2893.342004 17.246671 BFGS: 247 13:18:51 -2893.576370 15.904271 BFGS: 248 13:18:51 -2893.771533 14.162948 BFGS: 249 13:18:52 -2893.965838 12.763786 BFGS: 250 13:18:53 -2894.172888 14.126685 BFGS: 251 13:18:54 -2894.384748 15.416870 BFGS: 252 13:18:55 -2894.564598 16.654259 BFGS: 253 13:18:56 -2894.659864 17.845532 BFGS: 254 13:18:57 -2894.683228 18.910039 BFGS: 255 13:18:58 -2894.705711 19.796554 BFGS: 256 13:18:58 -2894.724683 20.601277 BFGS: 257 13:18:59 -2894.719210 21.349413 BFGS: 258 13:19:00 -2894.685393 22.044382 BFGS: 259 13:19:01 -2894.627587 22.683000 BFGS: 260 13:19:02 -2894.552217 23.273621 BFGS: 261 13:19:03 -2894.464269 23.817258 BFGS: 262 13:19:07 -2894.367904 24.315056 BFGS: 263 13:19:09 -2894.266325 24.762513 BFGS: 264 13:19:13 -2894.162417 25.153482 BFGS: 265 13:19:15 -2894.058884 25.477639 BFGS: 266 13:19:15 -2893.958673 25.722598 BFGS: 267 13:19:16 -2893.865084 25.872834 BFGS: 268 13:19:17 -2893.781992 25.911542 BFGS: 269 13:19:18 -2893.713814 25.821175 BFGS: 270 13:19:19 -2893.665452 25.585446 BFGS: 271 13:19:19 -2893.641933 25.190499 BFGS: 272 13:19:20 -2893.647897 24.627183 BFGS: 273 13:19:20 -2893.686687 23.891903 BFGS: 274 13:19:21 -2893.759395 22.988747 BFGS: 275 13:19:21 -2893.864053 21.929703 BFGS: 276 13:19:22 -2893.995658 20.736227 BFGS: 277 13:19:24 -2894.147887 19.431927 BFGS: 278 13:19:28 -2894.313304 18.053216 BFGS: 279 13:19:29 -2894.492700 16.587795 BFGS: 280 13:19:30 -2894.658492 15.191077 BFGS: 281 13:19:33 -2894.856366 13.485695 BFGS: 282 13:19:35 -2895.021561 12.142265 BFGS: 283 13:19:37 -2895.203184 10.641428 BFGS: 284 13:19:38 -2895.412530 9.111995 BFGS: 285 13:19:40 -2895.657834 7.812615 BFGS: 286 13:19:41 -2895.948448 6.742867 BFGS: 287 13:19:42 -2896.302539 7.147432 BFGS: 288 13:19:43 -2896.757148 7.609685 BFGS: 289 13:19:43 -2897.423966 8.071559 BFGS: 290 13:19:44 -2898.028287 9.350154 BFGS: 291 13:19:44 -2898.371499 10.608474 BFGS: 292 13:19:45 -2898.700816 11.991829 BFGS: 293 13:19:45 -2899.055930 13.499169 BFGS: 294 13:19:46 -2899.450845 14.577777 BFGS: 295 13:19:46 -2899.927409 15.540774 BFGS: 296 13:19:47 -2900.500729 16.418985 BFGS: 297 13:19:47 -2901.163290 17.243738 BFGS: 298 13:19:48 -2901.900697 18.006419 BFGS: 299 13:19:49 -2902.699085 18.712887 BFGS: 300 13:19:49 -2903.547421 19.363259 BFGS: 301 13:19:50 -2904.436952 19.968212 BFGS: 302 13:19:50 -2905.360437 20.536248 BFGS: 303 13:19:51 -2906.311512 21.079430 BFGS: 304 13:19:52 -2907.284665 21.604899 BFGS: 305 13:19:53 -2908.275217 22.117665 BFGS: 306 13:19:54 -2909.283712 22.617091 BFGS: 307 13:19:55 -2910.300053 23.137230 BFGS: 308 13:19:57 -2911.349648 23.587273 BFGS: 309 13:19:57 -2912.458223 23.971409 BFGS: 310 13:19:59 -2913.644127 24.312647 BFGS: 311 13:20:00 -2914.921898 24.655581 BFGS: 312 13:20:00 -2916.305106 25.016288 BFGS: 313 13:20:02 -2917.802484 25.430718 BFGS: 314 13:20:03 -2919.409386 25.918262 BFGS: 315 13:20:04 -2921.097765 26.505136 BFGS: 316 13:20:06 -2922.812302 27.170362 BFGS: 317 13:20:06 -2924.480458 27.882457 BFGS: 318 13:20:07 -2926.035263 28.539077 BFGS: 319 13:20:08 -2927.429212 29.002555 BFGS: 320 13:20:08 -2928.702929 29.106712 BFGS: 321 13:20:09 -2929.859721 29.313763 BFGS: 322 13:20:10 -2931.061435 29.189485 BFGS: 323 13:20:10 -2933.106455 26.899591 BFGS: 324 13:20:13 -2934.286641 27.549111 BFGS: 325 13:20:14 -2935.540286 28.873484 BFGS: 326 13:20:15 -2936.705304 29.254030 BFGS: 327 13:20:16 -2938.641377 31.076567 BFGS: 328 13:20:18 -2940.991679 32.786697 BFGS: 329 13:20:20 -2943.144953 32.325592 BFGS: 330 13:20:21 -2945.239115 31.866356 BFGS: 331 13:20:21 -2947.312163 31.400015 BFGS: 332 13:20:23 -2949.382826 30.968646 BFGS: 333 13:20:24 -2951.463826 30.588840 BFGS: 334 13:20:25 -2953.569013 30.268179 BFGS: 335 13:20:26 -2955.716949 30.018149 BFGS: 336 13:20:27 -2957.881763 29.818276 BFGS: 337 13:20:28 -2960.052123 29.639585 BFGS: 338 13:20:29 -2962.232674 29.421007 BFGS: 339 13:20:30 -2964.417930 29.199596 BFGS: 340 13:20:30 -2966.604568 28.991182 BFGS: 341 13:20:31 -2968.790833 28.791877 BFGS: 342 13:20:31 -2970.975344 28.600206 BFGS: 343 13:20:32 -2973.156850 28.413512 BFGS: 344 13:20:33 -2975.333993 28.230333 BFGS: 345 13:20:33 -2977.505256 28.049424 BFGS: 346 13:20:34 -2979.668998 27.869777 BFGS: 347 13:20:35 -2981.823365 27.690191 BFGS: 348 13:20:36 -2983.966226 27.509851 BFGS: 349 13:20:37 -2986.095126 27.553269 BFGS: 350 13:20:38 -2988.207304 27.629594 BFGS: 351 13:20:39 -2990.299720 27.697882 BFGS: 352 13:20:40 -2992.369212 27.757196 BFGS: 353 13:20:40 -2994.412735 27.807094 BFGS: 354 13:20:41 -2996.428041 27.847474 BFGS: 355 13:20:41 -2998.414874 27.879123 BFGS: 356 13:20:41 -3000.377561 27.903555 BFGS: 357 13:20:42 -3002.329377 27.922863 BFGS: 358 13:20:43 -3004.292554 27.934926 BFGS: 359 13:20:44 -3006.394589 29.022370 BFGS: 360 13:20:46 -3008.905798 31.684285 BFGS: 361 13:20:48 -3012.637733 35.212175 BFGS: 362 13:20:51 -3022.142451 40.256770 BFGS: 363 13:20:53 -3065.740208 83.957683 BFGS: 364 13:20:54 -1222.001170 9462.160875 BFGS: 365 13:20:55 -3042.647040 102.294413 BFGS: 366 13:20:57 -3065.850699 72.421735 BFGS: 367 13:20:58 -3073.838365 53.472133 BFGS: 368 13:21:00 -3079.342297 52.990919 BFGS: 369 13:21:02 -3083.735382 51.829963 BFGS: 370 13:21:02 -3087.597958 50.993293 BFGS: 371 13:21:03 -3091.051217 49.791974 BFGS: 372 13:21:03 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-4319.965892 41.602783 BFGS: 1980 13:42:47 -4319.948409 41.475324 BFGS: 1981 13:42:47 -4319.930871 40.519853 BFGS: 1982 13:42:48 -4319.913415 41.491870 BFGS: 1983 13:42:49 -4319.895926 41.517650 BFGS: 1984 13:42:50 -4311.966787 357.132737 BFGS: 1985 13:42:50 -4319.861022 42.117601 BFGS: 1986 13:42:50 -4319.843636 42.045090 BFGS: 1987 13:42:51 -4319.825275 39.369791 BFGS: 1988 13:42:52 -4319.808962 41.660060 BFGS: 1989 13:42:53 -4319.791564 41.555324 BFGS: 1990 13:42:53 -4319.774105 40.755966 BFGS: 1991 13:42:53 -4319.756703 41.674583 BFGS: 1992 13:42:54 -4319.739301 41.682174 BFGS: 1993 13:42:54 -4319.695467 33.064581 BFGS: 1994 13:42:55 -4319.704482 41.873495 BFGS: 1995 13:42:55 -4319.687187 41.651363 BFGS: 1996 13:42:55 -4319.669866 41.176356 BFGS: 1997 13:42:56 -4319.652480 41.674073 BFGS: 1998 13:42:56 -4319.635095 41.839121 BFGS: 1999 13:42:57 -4319.617845 41.541227 BFGS: 2000 13:42:58 -4319.600521 41.549219 BFGS: 2001 13:42:58 -4319.582795 40.361743 BFGS: 2002 13:42:59 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-4319.170148 40.419505 BFGS: 2026 13:43:10 -4319.153634 42.268532 BFGS: 2027 13:43:11 -4319.136622 42.158998 BFGS: 2028 13:43:12 -4319.119531 41.227518 BFGS: 2029 13:43:13 -4319.102549 42.237146 BFGS: 2030 13:43:14 -4319.085539 42.231442 BFGS: 2031 13:43:14 -4319.062765 37.804781 BFGS: 2032 13:43:15 -4319.051501 42.385310 BFGS: 2033 13:43:15 -4319.034575 42.197646 BFGS: 2034 13:43:16 -4319.017626 41.724704 BFGS: 2035 13:43:16 -4319.000619 42.260184 BFGS: 2036 13:43:17 -4318.983621 42.396802 BFGS: 2037 13:43:18 -4318.966701 41.707396 BFGS: 2038 13:43:18 -4318.949730 42.365205 BFGS: 2039 13:43:19 -4318.932770 42.448614 BFGS: 2040 13:43:19 -4318.915576 41.059099 BFGS: 2041 13:43:20 -4318.898905 42.508917 BFGS: 2042 13:43:20 -4318.882017 42.429779 BFGS: 2043 13:43:21 -4318.864942 41.270224 BFGS: 2044 13:43:21 -4318.848193 42.548720 BFGS: 2045 13:43:21 -4318.831329 42.484522 BFGS: 2046 13:43:22 -4318.814142 41.088103 BFGS: 2047 13:43:22 -4318.797560 42.608168 BFGS: 2048 13:43:22 -4318.780732 42.516913 BFGS: 2049 13:43:22 -4318.763780 41.495046 BFGS: 2050 13:43:23 -4318.747023 42.628469 BFGS: 2051 13:43:23 -4318.730210 42.585548 BFGS: 2052 13:43:23 -4318.712672 40.714606 BFGS: 2053 13:43:23 -4318.696547 42.722205 BFGS: 2054 13:43:24 -4318.679786 42.594446 BFGS: 2055 13:43:25 -4318.662983 41.870073 BFGS: 2056 13:43:25 -4318.646191 42.691937 BFGS: 2057 13:43:26 -4318.629413 42.713049 BFGS: 2058 13:43:26 -4317.229044 93.930907 BFGS: 2059 13:43:27 -4318.595805 43.078604 BFGS: 2060 13:43:28 -4318.579132 42.927584 BFGS: 2061 13:43:28 -4318.562357 41.706004 BFGS: 2062 13:43:29 -4318.545714 42.802874 BFGS: 2063 13:43:30 -4318.529000 42.782982 BFGS: 2064 13:43:31 -4318.510292 39.990514 BFGS: 2065 13:43:31 -4318.495539 42.951991 BFGS: 2066 13:43:31 -4318.478894 42.786198 BFGS: 2067 13:43:31 -4318.462226 42.250325 BFGS: 2068 13:43:31 -4318.445514 42.867077 BFGS: 2069 13:43:32 -4318.428822 42.953541 BFGS: 2070 13:43:33 -4318.411978 41.672636 BFGS: 2071 13:43:33 -4318.395506 42.990834 BFGS: 2072 13:43:34 -4318.378883 42.926006 BFGS: 2073 13:43:34 -4318.361975 41.599306 BFGS: 2074 13:43:35 -4318.345592 43.056283 BFGS: 2075 13:43:36 -4318.329003 42.967977 BFGS: 2076 13:43:37 -4318.312282 41.938570 BFGS: 2077 13:43:37 -4318.295769 43.083427 BFGS: 2078 13:43:38 -4318.279194 43.034749 BFGS: 2079 13:43:38 -4318.262069 41.347067 BFGS: 2080 13:43:38 -4318.246006 43.169373 BFGS: 2081 13:43:38 -4318.229476 43.051035 BFGS: 2082 13:43:39 -4318.212895 42.276875 BFGS: 2083 13:43:39 -4318.196351 43.153068 BFGS: 2084 13:43:39 -4318.179813 43.155791 BFGS: 2085 13:43:39 -4318.144465 35.585176 BFGS: 2086 13:43:40 -4318.146712 43.340187 BFGS: 2087 13:43:40 -4318.130264 43.126598 BFGS: 2088 13:43:41 -4318.113790 42.692606 BFGS: 2089 13:43:41 -4318.097257 43.169127 BFGS: 2090 13:43:41 -4318.080730 43.320248 BFGS: 2091 13:43:43 -4318.064321 42.948151 BFGS: 2092 13:43:44 -4318.047836 43.091306 BFGS: 2093 13:43:44 -4318.031374 43.088129 BFGS: 2094 13:43:45 -4318.013765 41.072448 BFGS: 2095 13:43:45 -4317.998392 43.444500 BFGS: 2096 13:43:45 -4317.982001 43.286855 BFGS: 2097 13:43:46 -4317.965586 42.738249 BFGS: 2098 13:43:46 -4317.949132 43.365349 BFGS: 2099 13:43:46 -4317.932696 43.445625 BFGS: 2100 13:43:47 -4317.916087 42.160398 BFGS: 2101 13:43:47 -4317.899877 43.498973 BFGS: 2102 13:43:47 -4317.883504 43.434126 BFGS: 2103 13:43:47 -4317.866899 42.204038 BFGS: 2104 13:43:48 -4317.850713 43.559933 BFGS: 2105 13:43:48 -4317.834367 43.486383 BFGS: 2106 13:43:48 -4317.817838 42.339076 BFGS: 2107 13:43:49 -4317.801630 43.600207 BFGS: 2108 13:43:50 -4317.785305 43.538737 BFGS: 2109 13:43:50 -4317.768681 42.177765 BFGS: 2110 13:43:50 -4317.752618 43.654732 BFGS: 2111 13:43:50 -4317.736327 43.569122 BFGS: 2112 13:43:51 -4317.719902 42.519763 BFGS: 2113 13:43:51 -4317.703698 43.669371 BFGS: 2114 13:43:52 -4317.687422 43.624792 BFGS: 2115 13:43:53 -4317.670492 41.803201 BFGS: 2116 13:43:53 -4317.654842 43.742697 BFGS: 2117 13:43:53 -4317.638615 43.621699 BFGS: 2118 13:43:54 -4317.622342 42.841382 BFGS: 2119 13:43:54 -4317.606105 43.698185 BFGS: 2120 13:43:55 -4317.589868 43.713557 BFGS: 2121 13:43:55 -4314.377516 184.462158 BFGS: 2122 13:43:56 -4317.557321 44.116785 BFGS: 2123 13:43:57 -4317.541173 44.015931 BFGS: 2124 13:43:57 -4317.524562 42.015688 BFGS: 2125 13:43:58 -4317.508886 43.791809 BFGS: 2126 13:43:58 -4317.492733 43.704134 BFGS: 2127 13:43:59 -4317.476464 42.700052 BFGS: 2128 13:44:00 -4317.460384 43.807544 BFGS: 2129 13:44:00 -4317.444245 43.771185 BFGS: 2130 13:44:01 -4317.427233 41.740812 BFGS: 2131 13:44:01 -4317.411941 43.892904 BFGS: 2132 13:44:02 -4317.395854 43.763678 BFGS: 2133 13:44:02 -4317.379736 43.083400 BFGS: 2134 13:44:02 -4317.363615 43.844599 BFGS: 2135 13:44:03 -4317.347506 43.884069 BFGS: 2136 13:44:05 -4317.321676 38.231923 BFGS: 2137 13:44:05 -4317.315288 44.035677 BFGS: 2138 13:44:06 -4317.299267 43.843447 BFGS: 2139 13:44:06 -4317.283223 43.416786 BFGS: 2140 13:44:07 -4317.267125 43.897101 BFGS: 2141 13:44:07 -4317.251031 44.044519 BFGS: 2142 13:44:07 -4317.235034 43.738403 BFGS: 2143 13:44:08 -4317.218982 43.819508 BFGS: 2144 13:44:08 -4317.202944 43.493471 BFGS: 2145 13:44:09 -4317.186874 44.052908 BFGS: 2146 13:44:09 -4317.170829 44.140700 BFGS: 2147 13:44:10 -4317.154706 43.021238 BFGS: 2148 13:44:10 -4317.138806 44.154595 BFGS: 2149 13:44:10 -4317.122818 44.113536 BFGS: 2150 13:44:12 -4317.106240 42.393584 BFGS: 2151 13:44:13 -4317.090804 44.256451 BFGS: 2152 13:44:14 -4317.074860 44.137149 BFGS: 2153 13:44:14 -4317.058875 43.432454 BFGS: 2154 13:44:14 -4317.042904 44.237781 BFGS: 2155 13:44:15 -4317.026946 44.253358 BFGS: 2156 13:44:15 -4316.675570 35.103584 BFGS: 2157 13:44:16 -4316.994982 44.519755 BFGS: 2158 13:44:16 -4316.979116 44.334365 BFGS: 2159 13:44:16 -4316.963219 43.639588 BFGS: 2160 13:44:17 -4316.947279 44.313037 BFGS: 2161 13:44:17 -4316.931353 44.374988 BFGS: 2162 13:44:18 -4316.914674 42.416769 BFGS: 2163 13:44:18 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-4283.697251 61.555318 BFGS: 3388 13:55:08 -4287.439431 66.766024 BFGS: 3389 13:55:08 -4292.133627 73.068369 BFGS: 3390 13:55:09 -4294.528700 76.021449 BFGS: 3391 13:55:09 -4295.267748 73.823305 BFGS: 3392 13:55:10 -4295.459516 72.098439 BFGS: 3393 13:55:10 -4295.612492 71.468425 BFGS: 3394 13:55:11 -4296.039708 69.645132 BFGS: 3395 13:55:11 -4296.919790 66.547863 BFGS: 3396 13:55:11 -4298.887946 60.367223 BFGS: 3397 13:55:12 -4302.297154 52.417035 BFGS: 3398 13:55:13 -4307.395326 43.444940 BFGS: 3399 13:55:13 -4309.890224 38.364467 BFGS: 3400 13:55:13 -4310.425597 37.567955 BFGS: 3401 13:55:14 -4310.488420 38.135852 BFGS: 3402 13:55:15 -4310.503932 38.475280 BFGS: 3403 13:55:15 -4310.511730 38.830701 BFGS: 3404 13:55:15 -4310.513188 38.831753 BFGS: 3405 13:55:16 -4310.517364 38.727386 BFGS: 3406 13:55:16 -4310.520611 38.625954 BFGS: 3407 13:55:16 -4310.535618 38.245639 BFGS: 3408 13:55:17 -4310.567466 37.672873 BFGS: 3409 13:55:17 -4310.659213 36.514173 BFGS: 3410 13:55:17 -4310.896887 34.396866 BFGS: 3411 13:55:17 -4311.538316 30.225241 BFGS: 3412 13:55:17 -4313.067038 22.546022 BFGS: 3413 13:55:17 -4315.466804 12.794919 BFGS: 3414 13:55:17 -4317.414953 8.501529 BFGS: 3415 13:55:18 -4318.918339 6.854831 BFGS: 3416 13:55:18 -4319.573687 8.754318 BFGS: 3417 13:55:18 -4319.627692 9.632386 BFGS: 3418 13:55:18 -4319.636662 9.879735 BFGS: 3419 13:55:19 -4319.637193 9.866292 BFGS: 3420 13:55:19 -4319.637260 9.855261 BFGS: 3421 13:55:19 -4319.637287 9.850359 BFGS: 3422 13:55:20 -4319.637298 9.845722 BFGS: 3423 13:55:21 -4319.637299 9.844808 BFGS: 3424 13:55:22 -4319.637311 9.840867 BFGS: 3425 13:55:22 -4319.637328 9.837176 BFGS: 3426 13:55:23 -4319.637377 9.830720 BFGS: 3427 13:55:23 -4319.637499 9.820724 BFGS: 3428 13:55:24 -4319.637825 9.804033 BFGS: 3429 13:55:24 -4319.638674 9.776099 BFGS: 3430 13:55:25 -4319.640899 9.727361 BFGS: 3431 13:55:25 -4319.646700 9.639003 BFGS: 3432 13:55:26 -4319.661770 9.470870 BFGS: 3433 13:55:26 -4319.700454 9.136411 BFGS: 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-4343.052947 11.114268 BFGS: 3553 13:56:38 -4345.914104 11.309240 BFGS: 3554 13:56:39 -4349.185004 11.549266 BFGS: 3555 13:56:39 -4352.925557 11.821082 BFGS: 3556 13:56:39 -4357.215650 12.150294 BFGS: 3557 13:56:39 -4362.149383 12.549593 BFGS: 3558 13:56:40 -4367.839183 13.034531 BFGS: 3559 13:56:40 -4374.417970 13.621176 BFGS: 3560 13:56:40 -4382.041081 14.325695 BFGS: 3561 13:56:40 -4390.887590 15.163836 BFGS: 3562 13:56:41 -4401.159553 16.150463 BFGS: 3563 13:56:41 -4412.275305 17.650924 BFGS: 3564 13:56:41 -4422.322002 34.683397 BFGS: 3565 13:56:41 -4432.468471 47.877116 BFGS: 3566 13:56:42 -4441.151927 55.543615 BFGS: 3567 13:56:42 -4450.928191 38.131008 BFGS: 3568 13:56:42 -4463.879638 21.222912 BFGS: 3569 13:56:42 -4478.055036 22.157898 BFGS: 3570 13:56:43 -4488.718474 23.130457 BFGS: 3571 13:56:43 -4495.029766 24.418282 BFGS: 3572 13:56:44 -4497.866428 27.343781 BFGS: 3573 13:56:45 -4499.368751 30.113806 BFGS: 3574 13:56:46 -4500.946425 33.244245 BFGS: 3575 13:56:47 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-5243.826918 54.010468 BFGS: 4632 14:08:18 -5243.829146 54.073440 BFGS: 4633 14:08:18 -5243.834954 54.171920 BFGS: 4634 14:08:19 -5243.850103 54.322813 BFGS: 4635 14:08:20 -5243.889592 54.545436 BFGS: 4636 14:08:20 -5243.992368 54.849854 BFGS: 4637 14:08:21 -5244.258817 55.196811 BFGS: 4638 14:08:21 -5244.943320 55.380808 BFGS: 4639 14:08:22 -5246.661883 54.730683 BFGS: 4640 14:08:22 -5250.619401 51.514267 BFGS: 4641 14:08:23 -5257.330620 43.406093 BFGS: 4642 14:08:23 -5263.948521 34.384249 BFGS: 4643 14:08:23 -5269.012946 27.318228 BFGS: 4644 14:08:24 -5273.782157 20.216325 BFGS: 4645 14:08:24 -5277.853030 13.047185 BFGS: 4646 14:08:25 -5280.600374 5.958257 BFGS: 4647 14:08:25 -5281.442418 2.772233 BFGS: 4648 14:08:26 -5281.457389 2.668962 BFGS: 4649 14:08:27 -5281.463889 2.573989 BFGS: 4650 14:08:27 -5281.464071 2.580847 BFGS: 4651 14:08:28 -5281.464092 2.582255 BFGS: 4652 14:08:29 -5281.464095 2.584107 BFGS: 4653 14:08:30 -5281.464095 2.584138 BFGS: 4654 14:08:31 -5281.464096 2.584123 BFGS: 4655 14:08:31 -5281.464096 2.584166 BFGS: 4656 14:08:32 -5281.464096 2.584271 BFGS: 4657 14:08:33 -5281.464096 2.584343 BFGS: 4658 14:08:34 -5281.464096 2.584474 BFGS: 4659 14:08:34 -5281.464096 2.584649 BFGS: 4660 14:08:34 -5281.464097 2.584963 BFGS: 4661 14:08:35 -5281.464098 2.585464 BFGS: 4662 14:08:36 -5281.464103 2.586297 BFGS: 4663 14:08:36 -5281.464114 2.587658 BFGS: 4664 14:08:37 -5281.464143 2.589890 BFGS: 4665 14:08:37 -5281.464218 2.593532 BFGS: 4666 14:08:38 -5281.464415 2.599473 BFGS: 4667 14:08:39 -5281.464932 2.609141 BFGS: 4668 14:08:40 -5281.466285 2.624846 BFGS: 4669 14:08:40 -5281.469824 2.650299 BFGS: 4670 14:08:41 -5281.479088 2.691433 BFGS: 4671 14:08:42 -5281.503325 2.757620 BFGS: 4672 14:08:43 -5281.566692 2.863361 BFGS: 4673 14:08:43 -5281.665346 2.952804 BFGS: 4674 14:08:43 -5281.773423 3.008992 BFGS: 4675 14:08:44 -5281.890069 3.047732 BFGS: 4676 14:08:44 -5282.013196 3.076007 BFGS: 4677 14:08:45 -5282.141225 3.097303 BFGS: 4678 14:08:45 -5282.273052 3.113569 BFGS: 4679 14:08:46 -5282.407900 3.125990 BFGS: 4680 14:08:46 -5282.545204 3.135336 BFGS: 4681 14:08:47 -5282.684541 3.142135 BFGS: 4682 14:08:48 -5282.825582 3.146764 BFGS: 4683 14:08:48 -5282.968066 3.149502 BFGS: 4684 14:08:48 -5283.111777 3.165817 BFGS: 4685 14:08:49 -5283.256536 3.200566 BFGS: 4686 14:08:49 -5283.402187 3.230668 BFGS: 4687 14:08:50 -5283.548593 3.256622 BFGS: 4688 14:08:51 -5283.695634 3.278843 BFGS: 4689 14:08:52 -5283.843200 3.297682 BFGS: 4690 14:08:53 -5283.991191 3.313438 BFGS: 4691 14:08:53 -5284.139514 3.326369 BFGS: 4692 14:08:53 -5284.288085 3.336701 BFGS: 4693 14:08:54 -5284.436824 3.344632 BFGS: 4694 14:08:54 -5284.585652 3.350338 BFGS: 4695 14:08:55 -5284.734500 3.353973 BFGS: 4696 14:08:56 -5284.883299 3.355676 BFGS: 4697 14:08:56 -5285.031986 3.355570 BFGS: 4698 14:08:56 -5285.180499 3.353767 BFGS: 4699 14:08:57 -5285.328780 3.350368 BFGS: 4700 14:08:57 -5285.476773 3.345464 BFGS: 4701 14:08:57 -5285.624424 3.339138 BFGS: 4702 14:08:58 -5285.771682 3.331465 BFGS: 4703 14:08:58 -5285.918495 3.322509 BFGS: 4704 14:08:59 -5286.064818 3.312332 BFGS: 4705 14:08:59 -5286.210602 3.300987 BFGS: 4706 14:08:59 -5286.355805 3.288527 BFGS: 4707 14:08:59 -5286.500383 3.274995 BFGS: 4708 14:08:59 -5286.644293 3.260432 BFGS: 4709 14:09:00 -5286.787494 3.244878 BFGS: 4710 14:09:00 -5286.929945 3.228363 BFGS: 4711 14:09:00 -5287.071607 3.210916 BFGS: 4712 14:09:01 -5287.212443 3.192566 BFGS: 4713 14:09:02 -5287.352414 3.173337 BFGS: 4714 14:09:03 -5287.491485 3.153251 BFGS: 4715 14:09:04 -5287.629619 3.132329 BFGS: 4716 14:09:04 -5287.766780 3.110588 BFGS: 4717 14:09:05 -5287.902932 3.088046 BFGS: 4718 14:09:05 -5288.038041 3.064714 BFGS: 4719 14:09:05 -5288.172072 3.040605 BFGS: 4720 14:09:05 -5288.304993 3.015730 BFGS: 4721 14:09:05 -5288.436768 2.990099 BFGS: 4722 14:09:05 -5288.567366 2.963720 BFGS: 4723 14:09:06 -5288.696751 2.936603 BFGS: 4724 14:09:06 -5288.824892 2.908755 BFGS: 4725 14:09:07 -5288.951754 2.880181 BFGS: 4726 14:09:07 -5289.077306 2.850883 BFGS: 4727 14:09:08 -5289.201513 2.820866 BFGS: 4728 14:09:08 -5289.324344 2.790130 BFGS: 4729 14:09:09 -5289.445766 2.758679 BFGS: 4730 14:09:10 -5289.565746 2.726516 BFGS: 4731 14:09:11 -5289.684252 2.693644 BFGS: 4732 14:09:13 -5289.801250 2.660064 BFGS: 4733 14:09:14 -5289.916708 2.625775 BFGS: 4734 14:09:14 -5290.030592 2.590777 BFGS: 4735 14:09:14 -5290.142871 2.555069 BFGS: 4736 14:09:15 -5290.253512 2.518651 BFGS: 4737 14:09:15 -5290.362482 2.481520 BFGS: 4738 14:09:16 -5290.469747 2.443677 BFGS: 4739 14:09:17 -5290.575276 2.405119 BFGS: 4740 14:09:18 -5290.679033 2.365845 BFGS: 4741 14:09:19 -5290.780986 2.325850 BFGS: 4742 14:09:19 -5290.881102 2.285131 BFGS: 4743 14:09:20 -5290.979347 2.243684 BFGS: 4744 14:09:21 -5291.075688 2.201505 BFGS: 4745 14:09:22 -5291.170091 2.158590 BFGS: 4746 14:09:22 -5291.262521 2.114935 BFGS: 4747 14:09:23 -5291.352945 2.070536 BFGS: 4748 14:09:24 -5291.441327 2.025387 BFGS: 4749 14:09:25 -5291.527634 1.979481 BFGS: 4750 14:09:25 -5291.611830 1.932812 BFGS: 4751 14:09:25 -5291.693882 1.885374 BFGS: 4752 14:09:26 -5291.773754 1.837160 BFGS: 4753 14:09:26 -5291.851411 1.788161 BFGS: 4754 14:09:27 -5291.926818 1.738372 BFGS: 4755 14:09:28 -5291.999939 1.687784 BFGS: 4756 14:09:28 -5292.070738 1.636386 BFGS: 4757 14:09:29 -5292.139180 1.584167 BFGS: 4758 14:09:29 -5292.205227 1.531115 BFGS: 4759 14:09:30 -5292.268844 1.477218 BFGS: 4760 14:09:30 -5292.329995 1.422464 BFGS: 4761 14:09:31 -5292.388641 1.366836 BFGS: 4762 14:09:31 -5292.444747 1.310318 BFGS: 4763 14:09:31 -5292.498274 1.252891 BFGS: 4764 14:09:31 -5292.549184 1.194534 BFGS: 4765 14:09:31 -5292.597439 1.135224 BFGS: 4766 14:09:32 -5292.643000 1.074936 BFGS: 4767 14:09:32 -5292.685828 1.013640 BFGS: 4768 14:09:33 -5292.725883 0.951303 BFGS: 4769 14:09:33 -5292.763126 0.887885 BFGS: 4770 14:09:34 -5292.797515 0.823339 BFGS: 4771 14:09:35 -5292.829008 0.757608 BFGS: 4772 14:09:36 -5292.857563 0.690627 BFGS: 4773 14:09:37 -5292.883134 0.622308 BFGS: 4774 14:09:37 -5292.905678 0.552544 BFGS: 4775 14:09:38 -5292.925145 0.481190 BFGS: 4776 14:09:38 -5292.941487 0.408050 BFGS: 4777 14:09:39 -5292.954649 0.332836 BFGS: 4778 14:09:40 -5292.964573 0.255384 BFGS: 4779 14:09:40 -5292.971189 0.174982 BFGS: 4780 14:09:41 -5292.974408 0.089066 BFGS: 4781 14:09:41 -5292.974745 0.049140 BFGS: 4782 14:09:42 -5292.974789 0.040816 BFGS: 4783 14:09:43 -5292.974939 0.003456 BFGS: 4784 14:09:43 -5292.974947 0.001598 BFGS: 4785 14:09:43 -5292.974948 0.000427 BFGS: 4786 14:09:44 -5292.974948 0.000174 BFGS: 4787 14:09:44 -5292.974948 0.000063 BFGS: 4788 14:09:44 -5292.974948 0.000015 BFGS: 4789 14:09:44 -5292.974948 0.000006 BFGS: 4790 14:09:45 -5292.974948 0.000002 BFGS: 4791 14:09:45 -5292.974948 0.000001 BFGS: 4792 14:09:45 -5292.974948 0.000000 BFGS: 4793 14:09:45 -5292.974948 0.000000 BFGS: 4794 14:09:45 -5292.974948 0.000000 BFGS: 4795 14:09:46 -5292.974948 0.000000 BFGS: 4796 14:09:46 -5292.974948 0.000000 Minimization converged after 4796 steps. Maximum force component: 1.1738292579277079e-08 eV/Angstrom Maximum stress component: 1.9462950213355755e-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'] basis = [[0.00000000e+00 5.91506351e-01 7.08087171e-02] [0.00000000e+00 4.08493649e-01 7.08087171e-02] [2.36057789e-27 5.91506351e-01 9.29191283e-01] [4.63950484e-27 4.08493649e-01 9.29191283e-01] [5.00000000e-01 9.15063508e-02 5.70808717e-01] [5.00000000e-01 9.08493649e-01 5.70808717e-01] [5.00000000e-01 9.15063508e-02 4.29191283e-01] [5.00000000e-01 9.08493649e-01 4.29191283e-01] [9.71946942e-01 9.08493649e-01 1.94349764e-16] [2.80530579e-02 9.15063509e-02 1.94349764e-16] [2.80530579e-02 9.08493649e-01 1.94349764e-16] [9.71946942e-01 9.15063509e-02 1.94349764e-16] [4.71946942e-01 4.08493649e-01 5.00000000e-01] [5.28053058e-01 5.91506351e-01 5.00000000e-01] [5.28053058e-01 4.08493649e-01 5.00000000e-01] [4.71946942e-01 5.91506351e-01 5.00000000e-01] [9.71946942e-01 0.00000000e+00 4.29191283e-01] [2.80530579e-02 0.00000000e+00 4.29191283e-01] [2.80530579e-02 0.00000000e+00 5.70808717e-01] [9.71946942e-01 0.00000000e+00 5.70808717e-01] [4.71946942e-01 5.00000000e-01 9.29191283e-01] [5.28053058e-01 5.00000000e-01 9.29191283e-01] [5.28053058e-01 5.00000000e-01 7.08087172e-02] [4.71946942e-01 5.00000000e-01 7.08087172e-02] [4.71946942e-01 4.08493649e-01 8.06546987e-01] [5.28053058e-01 5.91506351e-01 8.06546987e-01] [5.28053058e-01 4.08493649e-01 1.93453013e-01] [4.71946942e-01 5.91506351e-01 1.93453013e-01] [9.71946942e-01 9.08493649e-01 3.06546987e-01] [2.80530579e-02 9.15063509e-02 3.06546987e-01] [2.80530579e-02 9.08493649e-01 6.93453013e-01] [9.71946942e-01 9.15063509e-02 6.93453013e-01] [5.28053058e-01 5.91506351e-01 1.93453013e-01] [4.71946942e-01 4.08493649e-01 1.93453013e-01] [4.71946942e-01 5.91506351e-01 8.06546987e-01] [5.28053058e-01 4.08493649e-01 8.06546987e-01] [2.80530579e-02 9.15063509e-02 6.93453013e-01] [9.71946942e-01 9.08493649e-01 6.93453013e-01] [9.71946942e-01 9.15063509e-02 3.06546987e-01] [2.80530579e-02 9.08493649e-01 3.06546987e-01] [4.71946942e-01 3.16987298e-01 9.29191283e-01] [5.28053058e-01 6.83012702e-01 9.29191283e-01] [5.28053058e-01 3.16987298e-01 7.08087172e-02] [4.71946942e-01 6.83012702e-01 7.08087172e-02] [9.71946942e-01 8.16987298e-01 4.29191283e-01] [2.80530579e-02 1.83012702e-01 4.29191283e-01] [2.80530579e-02 8.16987298e-01 5.70808717e-01] [9.71946942e-01 1.83012702e-01 5.70808717e-01] [5.28053058e-01 6.83012702e-01 7.08087172e-02] [4.71946942e-01 3.16987298e-01 7.08087172e-02] [4.71946942e-01 6.83012702e-01 9.29191283e-01] [5.28053058e-01 3.16987298e-01 9.29191283e-01] [2.80530579e-02 1.83012702e-01 5.70808717e-01] [9.71946942e-01 8.16987298e-01 5.70808717e-01] [9.71946942e-01 1.83012702e-01 4.29191283e-01] [2.80530579e-02 8.16987298e-01 4.29191283e-01] [4.71946942e-01 2.73060386e-01 7.11297417e-01] [5.28053058e-01 7.26939614e-01 7.11297417e-01] [5.28053058e-01 2.73060386e-01 2.88702583e-01] [4.71946942e-01 7.26939614e-01 2.88702583e-01] [9.71946942e-01 7.73060386e-01 2.11297417e-01] [2.80530579e-02 2.26939614e-01 2.11297417e-01] [2.80530579e-02 7.73060386e-01 7.88702583e-01] [9.71946942e-01 2.26939614e-01 7.88702583e-01] [5.28053058e-01 7.26939614e-01 2.88702583e-01] [4.71946942e-01 2.73060386e-01 2.88702583e-01] [4.71946942e-01 7.26939614e-01 7.11297417e-01] [5.28053058e-01 2.73060386e-01 7.11297417e-01] [2.80530579e-02 2.26939614e-01 7.88702583e-01] [9.71946942e-01 7.73060386e-01 7.88702583e-01] [9.71946942e-01 2.26939614e-01 2.11297417e-01] [2.80530579e-02 7.73060386e-01 2.11297417e-01] [4.71946942e-01 9.15063509e-02 6.93453013e-01] [5.28053058e-01 9.08493649e-01 6.93453013e-01] [5.28053058e-01 9.15063509e-02 3.06546987e-01] [4.71946942e-01 9.08493649e-01 3.06546987e-01] [9.71946942e-01 5.91506351e-01 1.93453013e-01] [2.80530579e-02 4.08493649e-01 1.93453013e-01] [2.80530579e-02 5.91506351e-01 8.06546987e-01] [9.71946942e-01 4.08493649e-01 8.06546987e-01] [5.28053058e-01 9.08493649e-01 3.06546987e-01] [4.71946942e-01 9.15063509e-02 3.06546987e-01] [4.71946942e-01 9.08493649e-01 6.93453013e-01] [5.28053058e-01 9.15063509e-02 6.93453013e-01] [2.80530579e-02 4.08493649e-01 8.06546987e-01] [9.71946942e-01 5.91506351e-01 8.06546987e-01] [9.71946942e-01 4.08493649e-01 1.93453013e-01] [2.80530579e-02 5.91506351e-01 1.93453013e-01] [4.71946942e-01 2.50000000e-01 5.70808717e-01] [5.28053058e-01 7.50000000e-01 5.70808717e-01] [5.28053058e-01 2.50000000e-01 4.29191283e-01] [4.71946942e-01 7.50000000e-01 4.29191283e-01] [9.71946942e-01 7.50000000e-01 7.08087171e-02] [2.80530579e-02 2.50000000e-01 7.08087171e-02] [2.80530579e-02 7.50000000e-01 9.29191283e-01] [9.71946942e-01 2.50000000e-01 9.29191283e-01] [5.28053058e-01 7.50000000e-01 4.29191283e-01] [4.71946942e-01 2.50000000e-01 4.29191283e-01] [4.71946942e-01 7.50000000e-01 5.70808717e-01] [5.28053058e-01 2.50000000e-01 5.70808717e-01] [2.80530579e-02 2.50000000e-01 9.29191283e-01] [9.71946942e-01 7.50000000e-01 9.29191283e-01] [9.71946942e-01 2.50000000e-01 7.08087171e-02] [2.80530579e-02 7.50000000e-01 7.08087171e-02] [4.43893884e-01 9.15063509e-02 5.70808717e-01] [5.56106116e-01 9.08493649e-01 5.70808717e-01] [5.56106116e-01 9.15063509e-02 4.29191283e-01] [4.43893884e-01 9.08493649e-01 4.29191283e-01] [9.43893884e-01 5.91506351e-01 7.08087171e-02] [5.61061158e-02 4.08493649e-01 7.08087171e-02] [5.61061158e-02 5.91506351e-01 9.29191283e-01] [9.43893884e-01 4.08493649e-01 9.29191283e-01] [5.56106116e-01 9.08493649e-01 4.29191283e-01] [4.43893884e-01 9.15063509e-02 4.29191283e-01] [4.43893884e-01 9.08493649e-01 5.70808717e-01] [5.56106116e-01 9.15063509e-02 5.70808717e-01] [5.61061158e-02 4.08493649e-01 9.29191283e-01] [9.43893884e-01 5.91506351e-01 9.29191283e-01] [9.43893884e-01 4.08493649e-01 7.08087171e-02] [5.61061158e-02 5.91506351e-01 7.08087171e-02]] cellpar = Cell([[15.823082015538716, 0.0, 0.0], [0.0, 4.850874631418989, 3.4096577104104265e-32], [0.0, 1.544624498373214e-31, 6.268802120544635]]) forces = [[ 0.00000000e+00 6.67868144e-09 3.94639783e-09] [-4.99288432e-29 -6.67868144e-09 3.94639783e-09] [ 0.00000000e+00 6.67868144e-09 -3.94639783e-09] [ 0.00000000e+00 -6.67868144e-09 -3.94639783e-09] [ 0.00000000e+00 6.67868144e-09 3.94639783e-09] [ 0.00000000e+00 -6.67868144e-09 3.94639783e-09] [ 0.00000000e+00 6.67868144e-09 -3.94639783e-09] [ 0.00000000e+00 -6.67868144e-09 -3.94639783e-09] [ 4.36669229e-10 3.00276053e-09 2.11062672e-41] [-4.36669229e-10 -3.00276053e-09 -2.11062672e-41] [-4.36669229e-10 3.00276053e-09 1.97808517e-29] [ 4.36669229e-10 -3.00276053e-09 -2.11062672e-41] [ 4.36669229e-10 3.00276053e-09 -4.94521292e-30] [-4.36669229e-10 -3.00276053e-09 -6.18151614e-30] [-4.36669229e-10 3.00276053e-09 9.89042583e-30] [ 4.36669229e-10 -3.00276053e-09 -2.11062672e-41] [-6.07381639e-09 -2.89229967e-40 -1.17382926e-08] [ 6.07381639e-09 -2.89229967e-40 -1.17382926e-08] [ 6.07381639e-09 2.89229967e-40 1.17382926e-08] [-6.07381639e-09 2.89229967e-40 1.17382926e-08] [-6.07381639e-09 -2.89229967e-40 -1.17382926e-08] [ 6.07381639e-09 -2.89229967e-40 -1.17382926e-08] [ 6.07381639e-09 2.89229967e-40 1.17382926e-08] [-6.07381639e-09 2.89229967e-40 1.17382926e-08] [ 1.25936969e-10 7.71614184e-09 2.59033234e-09] [-1.25936969e-10 -7.71614184e-09 2.59033234e-09] [-1.25936969e-10 7.71614184e-09 -2.59033234e-09] [ 1.25936969e-10 -7.71614184e-09 -2.59033234e-09] [ 1.25936969e-10 7.71614184e-09 2.59033234e-09] [-1.25936969e-10 -7.71614184e-09 2.59033234e-09] [-1.25936969e-10 7.71614184e-09 -2.59033234e-09] [ 1.25936969e-10 -7.71614184e-09 -2.59033234e-09] [-1.25936969e-10 -7.71614184e-09 -2.59033234e-09] [ 1.25936969e-10 7.71614184e-09 -2.59033234e-09] [ 1.25936969e-10 -7.71614184e-09 2.59033234e-09] [-1.25936969e-10 7.71614184e-09 2.59033234e-09] [-1.25936969e-10 -7.71614184e-09 -2.59033234e-09] [ 1.25936969e-10 7.71614184e-09 -2.59033234e-09] [ 1.25936969e-10 -7.71614184e-09 2.59033234e-09] [-1.25936969e-10 7.71614184e-09 2.59033234e-09] [ 8.22605414e-10 1.05807277e-09 9.99467266e-10] [-8.22605414e-10 -1.05807277e-09 9.99467266e-10] [-8.22605414e-10 1.05807277e-09 -9.99467266e-10] [ 8.22605414e-10 -1.05807277e-09 -9.99467266e-10] [ 8.22605414e-10 1.05807277e-09 9.99467266e-10] [-8.22605414e-10 -1.05807277e-09 9.99467266e-10] [-8.22605414e-10 1.05807277e-09 -9.99467266e-10] [ 8.22605414e-10 -1.05807277e-09 -9.99467266e-10] [-8.22605414e-10 -1.05807277e-09 -9.99467266e-10] [ 8.22605414e-10 1.05807277e-09 -9.99467266e-10] [ 8.22605414e-10 -1.05807277e-09 9.99467266e-10] [-8.22605414e-10 1.05807277e-09 9.99467266e-10] [-8.22605414e-10 -1.05807277e-09 -9.99467266e-10] [ 8.22605414e-10 1.05807277e-09 -9.99467266e-10] [ 8.22605414e-10 -1.05807277e-09 9.99467266e-10] [-8.22605414e-10 1.05807277e-09 9.99467266e-10] [-2.74463271e-10 -2.33672503e-09 1.48882122e-09] [ 2.74463271e-10 2.33672503e-09 1.48882122e-09] [ 2.74463271e-10 -2.33672503e-09 -1.48882122e-09] [-2.74463271e-10 2.33672503e-09 -1.48882122e-09] [-2.74463271e-10 -2.33672503e-09 1.48882122e-09] [ 2.74463271e-10 2.33672503e-09 1.48882122e-09] [ 2.74463271e-10 -2.33672503e-09 -1.48882122e-09] [-2.74463271e-10 2.33672503e-09 -1.48882122e-09] [ 2.74463271e-10 2.33672503e-09 -1.48882122e-09] [-2.74463271e-10 -2.33672503e-09 -1.48882122e-09] [-2.74463271e-10 2.33672503e-09 1.48882122e-09] [ 2.74463271e-10 -2.33672503e-09 1.48882122e-09] [ 2.74463271e-10 2.33672503e-09 -1.48882122e-09] [-2.74463271e-10 -2.33672503e-09 -1.48882122e-09] [-2.74463271e-10 2.33672503e-09 1.48882122e-09] [ 2.74463271e-10 -2.33672503e-09 1.48882122e-09] [ 2.52353998e-09 3.61714987e-10 -1.63493480e-09] [-2.52353998e-09 -3.61714987e-10 -1.63493480e-09] [-2.52353998e-09 3.61714987e-10 1.63493480e-09] [ 2.52353998e-09 -3.61714987e-10 1.63493480e-09] [ 2.52353998e-09 3.61714987e-10 -1.63493480e-09] [-2.52353998e-09 -3.61714987e-10 -1.63493480e-09] [-2.52353998e-09 3.61714987e-10 1.63493480e-09] [ 2.52353998e-09 -3.61714987e-10 1.63493480e-09] [-2.52353998e-09 -3.61714987e-10 1.63493480e-09] [ 2.52353998e-09 3.61714987e-10 1.63493480e-09] [ 2.52353998e-09 -3.61714987e-10 -1.63493480e-09] [-2.52353998e-09 3.61714987e-10 -1.63493480e-09] [-2.52353998e-09 -3.61714987e-10 1.63493480e-09] [ 2.52353998e-09 3.61714987e-10 1.63493480e-09] [ 2.52353998e-09 -3.61714987e-10 -1.63493480e-09] [-2.52353998e-09 3.61714987e-10 -1.63493480e-09] [ 2.06118135e-09 -4.34507715e-09 1.40225587e-10] [-2.06118135e-09 4.34507715e-09 1.40225587e-10] [-2.06118135e-09 -4.34507715e-09 -1.40225587e-10] [ 2.06118135e-09 4.34507715e-09 -1.40225587e-10] [ 2.06118135e-09 -4.34507715e-09 1.40225587e-10] [-2.06118135e-09 4.34507715e-09 1.40225587e-10] [-2.06118135e-09 -4.34507715e-09 -1.40225587e-10] [ 2.06118135e-09 4.34507715e-09 -1.40225587e-10] [-2.06118135e-09 4.34507715e-09 -1.40225587e-10] [ 2.06118135e-09 -4.34507715e-09 -1.40225587e-10] [ 2.06118135e-09 4.34507715e-09 1.40225587e-10] [-2.06118135e-09 -4.34507715e-09 1.40225587e-10] [-2.06118135e-09 4.34507715e-09 -1.40225587e-10] [ 2.06118135e-09 -4.34507715e-09 -1.40225587e-10] [ 2.06118135e-09 4.34507715e-09 1.40225587e-10] [-2.06118135e-09 -4.34507715e-09 1.40225587e-10] [ 2.04484917e-10 5.49740728e-09 2.60538672e-09] [-2.04484917e-10 -5.49740728e-09 2.60538672e-09] [-2.04484917e-10 5.49740728e-09 -2.60538672e-09] [ 2.04484917e-10 -5.49740728e-09 -2.60538672e-09] [ 2.04484917e-10 5.49740728e-09 2.60538672e-09] [-2.04484917e-10 -5.49740728e-09 2.60538672e-09] [-2.04484917e-10 5.49740728e-09 -2.60538672e-09] [ 2.04484917e-10 -5.49740728e-09 -2.60538672e-09] [-2.04484917e-10 -5.49740728e-09 -2.60538672e-09] [ 2.04484917e-10 5.49740728e-09 -2.60538672e-09] [ 2.04484917e-10 -5.49740728e-09 2.60538672e-09] [-2.04484917e-10 5.49740728e-09 2.60538672e-09] [-2.04484917e-10 -5.49740728e-09 -2.60538672e-09] [ 2.04484917e-10 5.49740728e-09 -2.60538672e-09] [ 2.04484917e-10 -5.49740728e-09 2.60538672e-09] [-2.04484917e-10 5.49740728e-09 2.60538672e-09]] stress = [ 4.20550361e-11 8.57799516e-11 -1.94629502e-10 -2.07532352e-31 0.00000000e+00 0.00000000e+00] energy per atom = -44.108124564072455 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0