element(s): ['C', 'Si'] AFLOW prototype label: AB_hR18_160_9a_9a Parameter names: ['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'x5', 'x6', 'x7', 'x8', 'x9', 'x10', 'x11', 'x12', 'x13', 'x14', 'x15', 'x16', 'x17', 'x18'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.0946001', '22.089018', '0.17601955', '0.32398992', '0.39810486', '0.47216688', '0.54633246', '0.62037419', '0.76856867', '0.91679384', '0.027799468', '0.88895532', '0.74070811', '0.5926269', '0.51853518', '0.44441089', '0.37031733', '0.29622678', '0.14813217', '0.99993749'] 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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0.17601955] [0. 0. 0.32398992] [0. 0. 0.39810486] [0. 0. 0.47216688] [0. 0. 0.54633246] [0. 0. 0.62037419] [0. 0. 0.76856867] [0. 0. 0.91679384] [0. 0. 0.02779947] [0. 0. 0.88895532] [0. 0. 0.74070811] [0. 0. 0.5926269 ] [0. 0. 0.51853518] [0. 0. 0.44441089] [0. 0. 0.37031733] [0. 0. 0.29622678] [0. 0. 0.14813217] [0. 0. 0.99993749]] spacegroup = 160 cell = [[3.0946, 0, 0], [-1.5473, 2.6800022145513, 0], [0, 0, 68.3567]] ========================================= Step Time Energy fmax BFGS: 0 14:52:35 -347.265436 0.481709 BFGS: 1 14:52:35 -347.276947 0.281430 BFGS: 2 14:52:35 -347.288854 0.194644 BFGS: 3 14:52:35 -347.291239 0.195793 BFGS: 4 14:52:35 -347.298855 0.198517 BFGS: 5 14:52:35 -347.307500 0.182532 BFGS: 6 14:52:35 -347.320773 0.200536 BFGS: 7 14:52:35 -347.332917 0.174222 BFGS: 8 14:52:35 -347.343088 0.143460 BFGS: 9 14:52:36 -347.349078 0.104799 BFGS: 10 14:52:36 -347.351977 0.056066 BFGS: 11 14:52:36 -347.353993 0.032737 BFGS: 12 14:52:36 -347.355379 0.018700 BFGS: 13 14:52:36 -347.356552 0.025634 BFGS: 14 14:52:36 -347.357768 0.033657 BFGS: 15 14:52:36 -347.356307 0.168469 BFGS: 16 14:52:36 -347.360761 0.050638 BFGS: 17 14:52:36 -347.363241 0.065747 BFGS: 18 14:52:36 -347.373976 0.159093 BFGS: 19 14:52:36 -347.414748 0.342686 BFGS: 20 14:52:37 -347.556682 0.713232 BFGS: 21 14:52:37 -348.106576 1.321549 BFGS: 22 14:52:37 -349.515200 2.433569 BFGS: 23 14:52:37 -352.289309 3.989349 BFGS: 24 14:52:37 -357.418412 6.348128 BFGS: 25 14:52:37 -366.267814 10.019714 BFGS: 26 14:52:38 -380.269731 15.009582 BFGS: 27 14:52:38 -397.512558 19.943389 BFGS: 28 14:52:38 -410.568888 23.728179 BFGS: 29 14:52:38 -418.761795 26.980114 BFGS: 30 14:52:38 -424.916105 29.564625 BFGS: 31 14:52:38 -433.652020 31.406239 BFGS: 32 14:52:38 -444.205591 32.228446 BFGS: 33 14:52:39 -450.448899 32.448494 BFGS: 34 14:52:39 -457.812419 31.480957 BFGS: 35 14:52:39 -465.009456 32.542474 BFGS: 36 14:52:39 -471.968846 33.673687 BFGS: 37 14:52:39 -478.584566 33.985938 BFGS: 38 14:52:39 -484.485072 33.034635 BFGS: 39 14:52:39 -489.598766 31.149817 BFGS: 40 14:52:40 -494.114804 29.634632 BFGS: 41 14:52:40 -498.207290 31.008032 BFGS: 42 14:52:40 -501.987958 31.800059 BFGS: 43 14:52:40 -505.625083 31.921116 BFGS: 44 14:52:40 -509.437520 31.476234 BFGS: 45 14:52:40 -513.892898 30.565705 BFGS: 46 14:52:40 -519.836826 29.280895 BFGS: 47 14:52:41 -528.150571 27.637688 BFGS: 48 14:52:41 -535.697192 24.506922 BFGS: 49 14:52:41 -542.817981 21.742368 BFGS: 50 14:52:41 -549.543183 21.075742 BFGS: 51 14:52:41 -557.324904 20.457051 BFGS: 52 14:52:41 -564.800658 20.559991 BFGS: 53 14:52:41 -571.089411 21.636694 BFGS: 54 14:52:41 -575.288229 23.870016 BFGS: 55 14:52:41 -577.002433 24.930505 BFGS: 56 14:52:41 -578.156684 24.796706 BFGS: 57 14:52:41 -578.788331 25.567057 BFGS: 58 14:52:42 -579.761737 24.451001 BFGS: 59 14:52:42 -580.335497 24.857386 BFGS: 60 14:52:42 -581.022816 24.626442 BFGS: 61 14:52:43 -581.653973 24.604192 BFGS: 62 14:52:43 -582.297776 24.510779 BFGS: 63 14:52:43 -582.944722 24.446482 BFGS: 64 14:52:43 -583.606904 24.552854 BFGS: 65 14:52:43 -584.286510 25.316403 BFGS: 66 14:52:43 -584.986517 26.028467 BFGS: 67 14:52:43 -585.708961 26.702637 BFGS: 68 14:52:43 -586.454065 27.342329 BFGS: 69 14:52:43 -587.223021 27.955295 BFGS: 70 14:52:44 -588.015257 28.545091 BFGS: 71 14:52:44 -588.831745 29.117107 BFGS: 72 14:52:44 -589.671572 29.674249 BFGS: 73 14:52:44 -590.535749 30.220423 BFGS: 74 14:52:44 -591.423014 30.757658 BFGS: 75 14:52:44 -592.334708 31.289074 BFGS: 76 14:52:44 -593.268963 31.816067 BFGS: 77 14:52:45 -594.227968 32.340938 BFGS: 78 14:52:45 -595.208689 32.864243 BFGS: 79 14:52:45 -596.215182 33.388078 BFGS: 80 14:52:45 -597.241701 33.912365 BFGS: 81 14:52:45 -598.296725 34.439063 BFGS: 82 14:52:45 -599.368184 34.967529 BFGS: 83 14:52:45 -600.473027 35.499327 BFGS: 84 14:52:45 -601.589798 36.034482 BFGS: 85 14:52:45 -602.742552 36.572264 BFGS: 86 14:52:45 -603.908669 37.115843 BFGS: 87 14:52:45 -605.107918 37.660465 BFGS: 88 14:52:45 -606.324678 38.213198 BFGS: 89 14:52:46 -607.571609 38.764700 BFGS: 90 14:52:46 -608.837262 39.327472 BFGS: 91 14:52:46 -610.131747 39.885398 BFGS: 92 14:52:46 -611.443244 40.459264 BFGS: 93 14:52:46 -612.783292 41.022222 BFGS: 94 14:52:46 -614.136039 41.607854 BFGS: 95 14:52:46 -615.517113 42.175298 BFGS: 96 14:52:46 -616.905811 42.769744 BFGS: 97 14:52:46 -618.319351 43.345919 BFGS: 98 14:52:47 -619.739096 43.941397 BFGS: 99 14:52:47 -621.175270 44.530062 BFGS: 100 14:52:47 -622.618464 45.127060 BFGS: 101 14:52:47 -624.071593 45.725474 BFGS: 102 14:52:47 -625.531366 46.328775 BFGS: 103 14:52:47 -626.998856 46.935752 BFGS: 104 14:52:47 -628.472869 47.547544 BFGS: 105 14:52:47 -629.953837 48.163324 BFGS: 106 14:52:47 -631.438993 48.780393 BFGS: 107 14:52:48 -632.931603 49.407499 BFGS: 108 14:52:48 -634.423334 50.015570 BFGS: 109 14:52:48 -635.995922 51.200742 BFGS: 110 14:52:48 -637.541712 51.831431 BFGS: 111 14:52:48 -639.121711 52.435927 BFGS: 112 14:52:48 -640.666998 52.969061 BFGS: 113 14:52:49 -642.217812 53.514150 BFGS: 114 14:52:49 -643.777974 54.057279 BFGS: 115 14:52:49 -645.345659 54.611431 BFGS: 116 14:52:49 -646.927658 55.155690 BFGS: 117 14:52:49 -648.523910 55.706001 BFGS: 118 14:52:50 -650.143235 56.238848 BFGS: 119 14:52:50 -651.787966 56.775332 BFGS: 120 14:52:50 -653.470439 57.284428 BFGS: 121 14:52:50 -655.198473 57.799149 BFGS: 122 14:52:50 -656.989732 58.264561 BFGS: 123 14:52:51 -658.854083 58.753623 BFGS: 124 14:52:51 -660.829815 59.102237 BFGS: 125 14:52:51 -662.893677 59.777180 BFGS: 126 14:52:51 -664.992065 60.347624 BFGS: 127 14:52:51 -667.627798 60.439624 BFGS: 128 14:52:51 -670.814539 60.884099 BFGS: 129 14:52:52 -673.429374 61.272324 BFGS: 130 14:52:52 -679.007810 59.382865 BFGS: 131 14:52:52 -682.846852 55.335376 BFGS: 132 14:52:52 -689.520282 56.580173 BFGS: 133 14:52:52 -696.547788 57.583536 BFGS: 134 14:52:52 -701.685664 58.592657 BFGS: 135 14:52:52 -703.576633 57.962719 BFGS: 136 14:52:52 -705.090167 58.241765 BFGS: 137 14:52:52 -706.535171 58.555798 BFGS: 138 14:52:53 -707.958008 59.115546 BFGS: 139 14:52:53 -709.386122 59.673589 BFGS: 140 14:52:53 -710.884411 60.243806 BFGS: 141 14:52:53 -712.641512 60.609520 BFGS: 142 14:52:53 -714.975375 60.659245 BFGS: 143 14:52:53 -717.874745 60.518138 BFGS: 144 14:52:54 -720.443428 60.727161 BFGS: 145 14:52:54 -722.867924 60.874169 BFGS: 146 14:52:54 -724.790581 61.115935 BFGS: 147 14:52:54 -726.533324 61.662034 BFGS: 148 14:52:54 -728.158799 62.011117 BFGS: 149 14:52:54 -729.731710 62.423935 BFGS: 150 14:52:55 -731.278582 62.739049 BFGS: 151 14:52:55 -732.829789 63.095013 BFGS: 152 14:52:55 -734.392201 63.430534 BFGS: 153 14:52:55 -736.130092 63.789081 BFGS: 154 14:52:56 -738.502474 63.147554 BFGS: 155 14:52:56 -740.734189 63.169655 BFGS: 156 14:52:56 -743.071559 63.125421 BFGS: 157 14:52:56 -745.498135 63.069400 BFGS: 158 14:52:56 -747.986530 62.961917 BFGS: 159 14:52:56 -750.508316 62.846028 BFGS: 160 14:52:56 -753.038033 62.721499 BFGS: 161 14:52:57 -755.558465 62.613207 BFGS: 162 14:52:57 -758.055595 62.526906 BFGS: 163 14:52:57 -760.523638 62.473572 BFGS: 164 14:52:57 -762.968528 62.443396 BFGS: 165 14:52:57 -765.387302 62.444104 BFGS: 166 14:52:57 -767.762016 62.488983 BFGS: 167 14:52:57 -770.107544 62.592232 BFGS: 168 14:52:57 -772.525254 62.718925 BFGS: 169 14:52:58 -774.963345 62.885962 BFGS: 170 14:52:58 -777.325933 63.144098 BFGS: 171 14:52:58 -779.561502 63.528728 BFGS: 172 14:52:58 -781.667169 64.032415 BFGS: 173 14:52:59 -783.591377 64.650903 BFGS: 174 14:52:59 -785.400880 65.370197 BFGS: 175 14:52:59 -786.964763 66.202814 BFGS: 176 14:52:59 -788.576285 67.061502 BFGS: 177 14:52:59 -790.000729 68.030240 BFGS: 178 14:52:59 -791.441794 69.021587 BFGS: 179 14:52:59 -792.849221 70.111409 BFGS: 180 14:53:00 -794.305528 71.121683 BFGS: 181 14:53:00 -795.747713 72.395669 BFGS: 182 14:53:00 -797.272534 73.384069 BFGS: 183 14:53:00 -798.848417 74.612841 BFGS: 184 14:53:00 -800.527685 75.675196 BFGS: 185 14:53:00 -802.327973 76.747645 BFGS: 186 14:53:00 -804.221918 77.638154 BFGS: 187 14:53:01 -806.235381 78.453757 BFGS: 188 14:53:01 -808.281514 79.077421 BFGS: 189 14:53:01 -810.330550 79.636936 BFGS: 190 14:53:01 -812.592975 80.271347 BFGS: 191 14:53:01 -815.731591 80.620813 BFGS: 192 14:53:01 -819.207765 79.821510 BFGS: 193 14:53:01 -822.455272 79.136783 BFGS: 194 14:53:01 -825.304344 77.631558 BFGS: 195 14:53:02 -827.863292 76.427108 BFGS: 196 14:53:02 -830.290508 77.956132 BFGS: 197 14:53:02 -832.655256 79.945230 BFGS: 198 14:53:02 -834.960659 81.623238 BFGS: 199 14:53:02 -838.046672 83.715383 BFGS: 200 14:53:02 -841.273895 85.931435 BFGS: 201 14:53:03 -844.938437 87.999351 BFGS: 202 14:53:03 -849.286510 88.842665 BFGS: 203 14:53:03 -854.390025 89.559460 BFGS: 204 14:53:03 -859.962206 88.189644 BFGS: 205 14:53:04 -865.699672 88.075315 BFGS: 206 14:53:04 -871.338996 84.654204 BFGS: 207 14:53:04 -876.534347 92.594711 BFGS: 208 14:53:04 -881.986921 92.719822 BFGS: 209 14:53:04 -887.232755 89.221146 BFGS: 210 14:53:05 -892.559602 82.811344 BFGS: 211 14:53:05 -897.304400 82.944160 BFGS: 212 14:53:05 -902.048456 81.726701 BFGS: 213 14:53:05 -906.691391 77.975169 BFGS: 214 14:53:05 -911.384385 76.086217 BFGS: 215 14:53:05 -915.868676 74.797951 BFGS: 216 14:53:05 -920.272847 73.489675 BFGS: 217 14:53:06 -924.569234 72.521683 BFGS: 218 14:53:06 -928.791514 71.571557 BFGS: 219 14:53:06 -932.917128 70.904330 BFGS: 220 14:53:06 -936.950668 70.224398 BFGS: 221 14:53:06 -940.855625 69.908873 BFGS: 222 14:53:06 -944.617788 69.425484 BFGS: 223 14:53:06 -948.179044 69.586303 BFGS: 224 14:53:06 -951.540238 68.974535 BFGS: 225 14:53:07 -954.652951 69.961514 BFGS: 226 14:53:07 -957.605840 68.322719 BFGS: 227 14:53:07 -960.319851 70.640841 BFGS: 228 14:53:07 -962.905584 67.539392 BFGS: 229 14:53:08 -965.367787 68.667992 BFGS: 230 14:53:08 -967.794980 67.902923 BFGS: 231 14:53:08 -970.171510 68.376316 BFGS: 232 14:53:08 -972.524337 68.263040 BFGS: 233 14:53:08 -974.850849 68.588292 BFGS: 234 14:53:08 -977.165942 68.632523 BFGS: 235 14:53:08 -979.467592 68.919619 BFGS: 236 14:53:08 -981.765929 69.026155 BFGS: 237 14:53:09 -984.058954 69.300874 BFGS: 238 14:53:09 -986.353601 69.454706 BFGS: 239 14:53:09 -988.648041 69.714232 BFGS: 240 14:53:09 -990.945078 69.922023 BFGS: 241 14:53:09 -993.241961 70.139585 BFGS: 242 14:53:09 -995.536759 70.287500 BFGS: 243 14:53:10 -997.826102 70.518754 BFGS: 244 14:53:10 -1000.111441 70.653243 BFGS: 245 14:53:10 -1002.389967 70.874882 BFGS: 246 14:53:10 -1004.663441 71.010432 BFGS: 247 14:53:10 -1006.929954 71.233540 BFGS: 248 14:53:11 -1009.191497 71.380597 BFGS: 249 14:53:11 -1011.446194 71.622093 BFGS: 250 14:53:11 -1013.695676 71.787579 BFGS: 251 14:53:11 -1015.937326 72.058549 BFGS: 252 14:53:11 -1018.172919 72.239955 BFGS: 253 14:53:12 -1020.399313 72.545535 BFGS: 254 14:53:12 -1022.620164 72.777832 BFGS: 255 14:53:12 -1024.828684 72.992116 BFGS: 256 14:53:12 -1027.019867 73.169723 BFGS: 257 14:53:12 -1029.182464 73.226623 BFGS: 258 14:53:12 -1031.301519 73.118365 BFGS: 259 14:53:13 -1033.368588 72.742995 BFGS: 260 14:53:13 -1035.391527 72.069895 BFGS: 261 14:53:13 -1037.377794 71.219292 BFGS: 262 14:53:13 -1039.336963 70.193581 BFGS: 263 14:53:13 -1041.279837 68.947974 BFGS: 264 14:53:14 -1043.218257 67.479152 BFGS: 265 14:53:14 -1045.154594 65.841699 BFGS: 266 14:53:14 -1047.088422 64.121037 BFGS: 267 14:53:14 -1049.023692 62.336490 BFGS: 268 14:53:15 -1050.968052 60.499565 BFGS: 269 14:53:15 -1052.931852 58.597438 BFGS: 270 14:53:15 -1054.929356 56.640843 BFGS: 271 14:53:15 -1056.976931 54.656489 BFGS: 272 14:53:15 -1059.096396 52.777851 BFGS: 273 14:53:15 -1061.323719 51.106683 BFGS: 274 14:53:15 -1063.713545 49.657914 BFGS: 275 14:53:16 -1066.286813 48.664198 BFGS: 276 14:53:16 -1069.019785 48.821520 BFGS: 277 14:53:16 -1071.898944 48.936457 BFGS: 278 14:53:16 -1074.888723 49.425175 BFGS: 279 14:53:16 -1077.928055 49.948405 BFGS: 280 14:53:16 -1080.905963 50.710459 BFGS: 281 14:53:16 -1083.813423 51.365330 BFGS: 282 14:53:16 -1086.651858 52.315763 BFGS: 283 14:53:17 -1089.443389 53.081017 BFGS: 284 14:53:17 -1092.182219 54.354713 BFGS: 285 14:53:17 -1094.886455 55.197898 BFGS: 286 14:53:17 -1097.521223 56.968773 BFGS: 287 14:53:17 -1100.127058 57.892605 BFGS: 288 14:53:17 -1102.641730 60.087316 BFGS: 289 14:53:17 -1105.150757 61.264889 BFGS: 290 14:53:17 -1107.572024 63.213810 BFGS: 291 14:53:18 -1110.010446 64.893673 BFGS: 292 14:53:18 -1112.394265 67.959163 BFGS: 293 14:53:18 -1114.804311 68.940111 BFGS: 294 14:53:18 -1117.195369 72.896159 BFGS: 295 14:53:18 -1119.608818 73.759058 BFGS: 296 14:53:19 -1122.026848 76.936502 BFGS: 297 14:53:19 -1124.457744 77.672691 BFGS: 298 14:53:19 -1126.901867 80.233931 BFGS: 299 14:53:20 -1129.345915 80.724333 BFGS: 300 14:53:20 -1131.802688 82.785592 BFGS: 301 14:53:20 -1134.245272 83.101795 BFGS: 302 14:53:21 -1136.694513 84.530695 BFGS: 303 14:53:21 -1139.119688 84.883019 BFGS: 304 14:53:21 -1141.540132 85.567163 BFGS: 305 14:53:21 -1143.929998 86.003034 BFGS: 306 14:53:21 -1146.301066 86.011801 BFGS: 307 14:53:22 -1148.634205 86.540690 BFGS: 308 14:53:22 -1150.934707 85.924346 BFGS: 309 14:53:22 -1153.189505 86.643658 BFGS: 310 14:53:22 -1155.398174 85.453490 BFGS: 311 14:53:23 -1157.556829 86.300691 BFGS: 312 14:53:23 -1159.661208 84.891996 BFGS: 313 14:53:23 -1161.718951 85.500515 BFGS: 314 14:53:24 -1163.723211 84.347471 BFGS: 315 14:53:24 -1165.687268 84.624822 BFGS: 316 14:53:24 -1167.605188 83.801296 BFGS: 317 14:53:25 -1169.491151 86.554839 BFGS: 318 14:53:25 -1171.340456 92.027083 BFGS: 319 14:53:25 -1173.166221 96.770466 BFGS: 320 14:53:25 -1174.965590 101.944648 BFGS: 321 14:53:26 -1176.748122 106.570701 BFGS: 322 14:53:26 -1178.515308 111.368299 BFGS: 323 14:53:27 -1180.271913 115.828527 BFGS: 324 14:53:27 -1182.021979 120.318563 BFGS: 325 14:53:27 -1183.766924 124.534677 BFGS: 326 14:53:28 -1185.511253 128.801383 BFGS: 327 14:53:28 -1187.254334 132.742099 BFGS: 328 14:53:28 -1189.000651 136.857467 BFGS: 329 14:53:28 -1190.748186 140.539357 BFGS: 330 14:53:29 -1192.501080 144.508051 BFGS: 331 14:53:29 -1194.257730 148.036284 BFGS: 332 14:53:29 -1196.020907 151.796704 BFGS: 333 14:53:29 -1197.790464 155.234693 BFGS: 334 14:53:29 -1199.567165 158.808111 BFGS: 335 14:53:30 -1201.351721 162.145310 BFGS: 336 14:53:30 -1203.143535 165.591032 BFGS: 337 14:53:30 -1204.943849 168.813589 BFGS: 338 14:53:30 -1206.751107 172.189803 BFGS: 339 14:53:31 -1208.567128 175.280651 BFGS: 340 14:53:31 -1210.389314 178.650137 BFGS: 341 14:53:31 -1212.220233 181.593487 BFGS: 342 14:53:31 -1214.054689 184.967675 BFGS: 343 14:53:32 -1215.886113 187.827610 BFGS: 344 14:53:32 -1217.712545 191.013032 BFGS: 345 14:53:32 -1219.531163 193.900003 BFGS: 346 14:53:32 -1221.349106 196.857921 BFGS: 347 14:53:32 -1223.154585 199.747759 BFGS: 348 14:53:33 -1224.962754 202.513611 BFGS: 349 14:53:33 -1226.753485 205.384124 BFGS: 350 14:53:33 -1228.549402 207.964493 BFGS: 351 14:53:33 -1230.324593 210.784862 BFGS: 352 14:53:33 -1232.102366 213.216197 BFGS: 353 14:53:33 -1233.860654 215.897445 BFGS: 354 14:53:34 -1235.615229 218.144550 BFGS: 355 14:53:34 -1237.377999 220.379400 BFGS: 356 14:53:34 -1239.151687 222.099239 BFGS: 357 14:53:34 -1240.932389 223.965759 BFGS: 358 14:53:34 -1242.703527 225.824148 BFGS: 359 14:53:35 -1244.532953 227.495518 BFGS: 360 14:53:35 -1246.422018 228.875866 BFGS: 361 14:53:35 -1248.176579 229.944036 BFGS: 362 14:53:35 -1249.835623 228.211178 BFGS: 363 14:53:36 -1251.537349 227.080983 BFGS: 364 14:53:36 -1253.306158 226.302407 BFGS: 365 14:53:36 -1255.139106 225.690746 BFGS: 366 14:53:36 -1257.026997 225.701718 BFGS: 367 14:53:37 -1258.952954 225.802174 BFGS: 368 14:53:37 -1260.916203 226.206653 BFGS: 369 14:53:37 -1262.904174 226.792487 BFGS: 370 14:53:37 -1264.922923 227.473344 BFGS: 371 14:53:37 -1266.962534 228.384939 BFGS: 372 14:53:37 -1269.017360 229.293682 BFGS: 373 14:53:37 -1271.006049 230.345226 BFGS: 374 14:53:37 -1272.941131 231.258694 BFGS: 375 14:53:37 -1274.810434 232.335068 BFGS: 376 14:53:38 -1276.630106 233.220275 BFGS: 377 14:53:38 -1278.380414 234.307648 BFGS: 378 14:53:38 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-2039.568235 47.461735 BFGS: 1852 14:57:50 -2039.577806 44.980174 BFGS: 1853 14:57:50 -2039.586373 44.806733 BFGS: 1854 14:57:50 -2039.000517 115.477956 BFGS: 1855 14:57:51 -2039.603304 44.324093 BFGS: 1856 14:57:51 -2039.612102 44.274903 BFGS: 1857 14:57:51 -2039.620679 44.349938 BFGS: 1858 14:57:51 -2039.628943 44.183870 BFGS: 1859 14:57:51 -2039.637083 44.071216 BFGS: 1860 14:57:51 -2039.645373 43.227913 BFGS: 1861 14:57:52 -2039.653440 43.046315 BFGS: 1862 14:57:52 -2039.484700 57.274429 BFGS: 1863 14:57:52 -2039.669632 42.700402 BFGS: 1864 14:57:52 -2039.677452 42.885103 BFGS: 1865 14:57:52 -2039.685234 43.180878 BFGS: 1866 14:57:52 -2039.692822 43.221952 BFGS: 1867 14:57:52 -2015.435948 425.868230 BFGS: 1868 14:57:53 -2039.707870 39.176389 BFGS: 1869 14:57:53 -2039.717720 42.803671 BFGS: 1870 14:57:53 -2039.725821 44.568475 BFGS: 1871 14:57:53 -2039.733231 44.522462 BFGS: 1872 14:57:53 -2039.739140 45.006482 BFGS: 1873 14:57:53 -2039.747534 44.160091 BFGS: 1874 14:57:53 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-2041.065158 93.214266 BFGS: 1921 14:58:01 -2041.090005 87.550967 BFGS: 1922 14:58:01 -2041.103444 86.396294 BFGS: 1923 14:58:01 -2041.116223 87.426344 BFGS: 1924 14:58:01 -2041.128497 87.715400 BFGS: 1925 14:58:01 -2041.139883 94.145368 BFGS: 1926 14:58:02 -2041.152733 87.915181 BFGS: 1927 14:58:02 -2041.164635 87.567539 BFGS: 1928 14:58:02 -2041.164174 100.303410 BFGS: 1929 14:58:02 -2041.188202 86.351738 BFGS: 1930 14:58:02 -2041.200061 86.505479 BFGS: 1931 14:58:02 -2041.211778 87.944357 BFGS: 1932 14:58:02 -2041.223248 85.594718 BFGS: 1933 14:58:02 -2041.234608 84.767166 BFGS: 1934 14:58:03 -2041.246084 86.342847 BFGS: 1935 14:58:03 -2041.257408 84.260368 BFGS: 1936 14:58:03 -2041.268601 83.640479 BFGS: 1937 14:58:03 -2025.894190 510.930413 BFGS: 1938 14:58:03 -2041.271951 75.155736 BFGS: 1939 14:58:03 -2041.292748 82.734185 BFGS: 1940 14:58:04 -2041.304749 81.098336 BFGS: 1941 14:58:04 -2041.315555 80.152039 BFGS: 1942 14:58:04 -2041.326082 80.103161 BFGS: 1943 14:58:04 -2041.336473 80.279034 BFGS: 1944 14:58:04 -2041.346749 80.295781 BFGS: 1945 14:58:04 -2041.356930 80.490138 BFGS: 1946 14:58:04 -2041.366948 79.198821 BFGS: 1947 14:58:04 -2041.362184 80.167136 BFGS: 1948 14:58:05 -2041.386939 79.576243 BFGS: 1949 14:58:05 -2041.397445 76.770288 BFGS: 1950 14:58:05 -2041.407452 75.583061 BFGS: 1951 14:58:05 -2041.419437 77.606153 BFGS: 1952 14:58:05 -2041.433789 74.975916 BFGS: 1953 14:58:06 -2041.447288 73.900578 BFGS: 1954 14:58:06 -2041.460982 74.975986 BFGS: 1955 14:58:06 -2041.471403 75.062855 BFGS: 1956 14:58:06 -2041.481338 75.048903 BFGS: 1957 14:58:07 -2041.490850 73.718383 BFGS: 1958 14:58:07 -2041.498822 71.809495 BFGS: 1959 14:58:07 -2041.510070 69.747208 BFGS: 1960 14:58:07 -2041.520037 69.357702 BFGS: 1961 14:58:07 -2041.553225 90.412069 BFGS: 1962 14:58:07 -2041.599165 87.469920 BFGS: 1963 14:58:07 -2041.753857 78.206468 BFGS: 1964 14:58:07 -2041.794737 66.733882 BFGS: 1965 14:58:08 -2041.815948 58.566425 BFGS: 1966 14:58:08 -2041.829325 55.030581 BFGS: 1967 14:58:08 -2041.840666 51.710207 BFGS: 1968 14:58:08 -2041.850133 50.250917 BFGS: 1969 14:58:08 -2041.862743 50.108395 BFGS: 1970 14:58:08 -2041.876316 47.304795 BFGS: 1971 14:58:09 -2041.918682 37.611147 BFGS: 1972 14:58:09 -2041.971991 30.151399 BFGS: 1973 14:58:09 -2042.030626 27.998900 BFGS: 1974 14:58:09 -2042.080082 23.354152 BFGS: 1975 14:58:09 -2042.099570 26.102277 BFGS: 1976 14:58:09 -2042.105971 28.816986 BFGS: 1977 14:58:09 -2042.109500 28.972888 BFGS: 1978 14:58:09 -2042.112614 28.875778 BFGS: 1979 14:58:09 -2042.115409 28.323104 BFGS: 1980 14:58:09 -2042.118021 28.909144 BFGS: 1981 14:58:10 -2042.120465 26.900942 BFGS: 1982 14:58:10 -2042.122776 26.027401 BFGS: 1983 14:58:10 -2042.123539 29.333097 BFGS: 1984 14:58:10 -2042.127107 24.468696 BFGS: 1985 14:58:10 -2042.129167 23.929475 BFGS: 1986 14:58:10 -2042.131006 24.615375 BFGS: 1987 14:58:11 -2042.132821 22.247036 BFGS: 1988 14:58:11 -2042.134480 21.454770 BFGS: 1989 14:58:11 -2041.946093 52.484800 BFGS: 1990 14:58:11 -2042.137422 19.621415 BFGS: 1991 14:58:11 -2042.138873 19.301862 BFGS: 1992 14:58:11 -2042.140156 19.321828 BFGS: 1993 14:58:11 -2042.141216 17.788656 BFGS: 1994 14:58:11 -2042.142111 16.705635 BFGS: 1995 14:58:11 -2042.142949 16.306149 BFGS: 1996 14:58:11 -2042.143676 16.163899 BFGS: 1997 14:58:11 -2042.144283 14.962790 BFGS: 1998 14:58:12 -2042.122904 15.588862 BFGS: 1999 14:58:12 -2042.144694 17.055443 BFGS: 2000 14:58:12 -2042.145645 12.327881 BFGS: 2001 14:58:12 -2042.145808 11.544901 BFGS: 2002 14:58:12 -2042.145779 10.784132 BFGS: 2003 14:58:12 -2042.145703 10.428557 BFGS: 2004 14:58:12 -1743.966289 5973.316413 BFGS: 2005 14:58:12 -2041.768234 135.184297 BFGS: 2006 14:58:12 -2042.031055 42.593888 BFGS: 2007 14:58:12 -2042.055645 29.935449 BFGS: 2008 14:58:13 -2042.084790 19.808532 BFGS: 2009 14:58:13 -2042.091583 17.774586 BFGS: 2010 14:58:13 -2042.096295 17.300346 BFGS: 2011 14:58:13 -2042.099026 17.081132 BFGS: 2012 14:58:13 -2042.101583 17.123516 BFGS: 2013 14:58:13 -2042.103528 16.729338 BFGS: 2014 14:58:14 -2042.107801 16.809046 BFGS: 2015 14:58:14 -2042.113527 15.357390 BFGS: 2016 14:58:14 -2042.125250 13.879605 BFGS: 2017 14:58:14 -2042.134804 12.920292 BFGS: 2018 14:58:14 -2042.143218 10.673370 BFGS: 2019 14:58:14 -2042.147697 8.184266 BFGS: 2020 14:58:15 -2042.148125 7.152776 BFGS: 2021 14:58:15 -2042.147036 7.171168 BFGS: 2022 14:58:15 -2042.145556 7.271592 BFGS: 2023 14:58:15 -2042.143934 7.498294 BFGS: 2024 14:58:15 -2042.142215 7.682170 BFGS: 2025 14:58:15 -2042.139867 8.067838 BFGS: 2026 14:58:16 -2042.138565 7.980409 BFGS: 2027 14:58:16 -2042.136618 8.128345 BFGS: 2028 14:58:16 -2042.134288 8.248073 BFGS: 2029 14:58:16 -2042.132315 8.432378 BFGS: 2030 14:58:16 -2042.130047 8.588960 BFGS: 2031 14:58:16 -2042.126687 8.716589 BFGS: 2032 14:58:16 -2042.125136 8.906823 BFGS: 2033 14:58:17 -2042.122602 9.062627 BFGS: 2034 14:58:17 -2042.119868 9.206394 BFGS: 2035 14:58:17 -2042.117117 9.377488 BFGS: 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-2063.244645 70.782681 BFGS: 8099 15:12:52 -2063.241429 79.522353 BFGS: 8100 15:12:52 -2063.245250 70.767327 BFGS: 8101 15:12:52 -2063.245565 71.058147 BFGS: 8102 15:12:52 -2063.245873 71.460912 BFGS: 8103 15:12:52 -2063.246171 71.132573 BFGS: 8104 15:12:52 -2063.246465 70.996891 BFGS: 8105 15:12:52 -2063.246769 71.165314 BFGS: 8106 15:12:52 -2063.247059 72.087431 BFGS: 8107 15:12:52 -2063.247363 71.170225 BFGS: 8108 15:12:52 -2063.247661 71.218852 BFGS: 8109 15:12:53 -2063.218559 115.919015 BFGS: 8110 15:12:53 -2063.248253 71.231686 BFGS: 8111 15:12:53 -2063.248563 71.540064 BFGS: 8112 15:12:53 -2063.248868 72.038294 BFGS: 8113 15:12:53 -2063.249163 71.708376 BFGS: 8114 15:12:53 -2063.249459 71.501993 BFGS: 8115 15:12:53 -2063.249753 71.540175 BFGS: 8116 15:12:53 -2063.250043 71.458518 BFGS: 8117 15:12:53 -2063.250260 72.960063 BFGS: 8118 15:12:54 -2063.250632 71.547926 BFGS: 8119 15:12:54 -2063.250915 71.560987 BFGS: 8120 15:12:54 -2063.251170 72.470008 BFGS: 8121 15:12:54 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-2063.399148 128.962720 BFGS: 9542 15:15:48 -2063.399005 128.915787 BFGS: 9543 15:15:48 -2063.398867 128.761925 BFGS: 9544 15:15:48 -2063.398730 128.957356 BFGS: 9545 15:15:48 -2063.398601 130.076584 BFGS: 9546 15:15:48 -2063.398470 129.444916 BFGS: 9547 15:15:48 -2063.398342 129.161670 BFGS: 9548 15:15:48 -2063.398209 129.246814 BFGS: 9549 15:15:48 -2063.398075 129.519243 BFGS: 9550 15:15:48 -2063.397934 129.506553 BFGS: 9551 15:15:48 -2063.397417 132.958532 BFGS: 9552 15:15:48 -2063.397638 129.255210 BFGS: 9553 15:15:48 -2063.397495 129.424975 BFGS: 9554 15:15:49 -2063.397350 130.259175 BFGS: 9555 15:15:49 -2063.397206 129.537617 BFGS: 9556 15:15:49 -2063.397059 129.483732 BFGS: 9557 15:15:49 -2063.396823 131.702456 BFGS: 9558 15:15:49 -2063.396774 129.615386 BFGS: 9559 15:15:49 -2063.396630 129.765434 BFGS: 9560 15:15:49 -2063.396481 130.481280 BFGS: 9561 15:15:49 -2063.396332 129.773341 BFGS: 9562 15:15:49 -2063.396182 129.803861 BFGS: 9563 15:15:50 -2063.391777 141.199974 BFGS: 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-2063.388380 130.814153 BFGS: 9610 15:15:56 -2063.388254 132.675160 BFGS: 9611 15:15:56 -2063.388086 131.958008 BFGS: 9612 15:15:56 -2063.387922 131.622909 BFGS: 9613 15:15:56 -2063.387771 131.794505 BFGS: 9614 15:15:56 -2063.387595 131.776925 BFGS: 9615 15:15:56 -2063.387407 132.904286 BFGS: 9616 15:15:56 -2063.387236 132.014308 BFGS: 9617 15:15:56 -2063.387054 132.002067 BFGS: 9618 15:15:56 -2063.386390 136.697515 BFGS: 9619 15:15:56 -2063.386693 132.120912 BFGS: 9620 15:15:56 -2063.386517 132.358907 BFGS: 9621 15:15:56 -2063.386337 132.870400 BFGS: 9622 15:15:57 -2063.386150 132.398763 BFGS: 9623 15:15:57 -2063.385963 132.349027 BFGS: 9624 15:15:57 -2063.385767 133.606541 BFGS: 9625 15:15:57 -2063.385592 132.475325 BFGS: 9626 15:15:57 -2063.385406 132.548852 BFGS: 9627 15:15:57 -2063.382520 142.121858 BFGS: 9628 15:15:57 -2063.385033 132.562050 BFGS: 9629 15:15:57 -2063.384853 132.830496 BFGS: 9630 15:15:58 -2063.384668 133.198221 BFGS: 9631 15:15:58 -2063.384477 132.870528 BFGS: 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-2063.374153 129.787581 BFGS: 9678 15:16:03 -2063.373952 130.549052 BFGS: 9679 15:16:03 -2063.373716 131.062208 BFGS: 9680 15:16:04 -2063.373467 131.211492 BFGS: 9681 15:16:04 -2063.373213 131.232704 BFGS: 9682 15:16:04 -2063.372952 131.094650 BFGS: 9683 15:16:04 -2063.372638 131.726068 BFGS: 9684 15:16:04 -2063.372417 130.782567 BFGS: 9685 15:16:04 -2063.372151 130.766417 BFGS: 9686 15:16:04 -2063.371878 131.172769 BFGS: 9687 15:16:04 -2063.371607 130.627535 BFGS: 9688 15:16:05 -2063.371333 130.587595 BFGS: 9689 15:16:05 -2063.369293 136.017104 BFGS: 9690 15:16:05 -2063.370778 130.430633 BFGS: 9691 15:16:05 -2063.370505 130.541291 BFGS: 9692 15:16:05 -2063.370227 130.726774 BFGS: 9693 15:16:05 -2063.369943 130.447304 BFGS: 9694 15:16:05 -2063.369656 130.274399 BFGS: 9695 15:16:05 -2063.369368 130.127069 BFGS: 9696 15:16:06 -2063.353320 136.199286 BFGS: 9697 15:16:06 -2063.367779 132.956381 BFGS: 9698 15:16:06 -2063.368363 132.229796 BFGS: 9699 15:16:06 -2063.368116 131.911562 BFGS: 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144.630897 BFGS: 9723 15:16:08 -2063.360727 128.891848 BFGS: 9724 15:16:08 -2063.360398 129.028784 BFGS: 9725 15:16:08 -2063.360068 129.387670 BFGS: 9726 15:16:08 -2063.359733 129.005081 BFGS: 9727 15:16:09 -2063.359397 128.721035 BFGS: 9728 15:16:09 -2063.359058 128.600635 BFGS: 9729 15:16:09 -2063.358718 128.459248 BFGS: 9730 15:16:09 -2063.358378 128.520332 BFGS: 9731 15:16:09 -2063.358031 129.371324 BFGS: 9732 15:16:09 -2063.357694 128.579650 BFGS: 9733 15:16:09 -2063.357349 128.491198 BFGS: 9734 15:16:10 -936.343008 15322.568431 BFGS: 9735 15:16:10 -2063.300733 166.998515 BFGS: 9736 15:16:10 -2063.314694 159.548984 BFGS: 9737 15:16:10 -2063.316763 161.479723 BFGS: 9738 15:16:10 -2063.316946 161.376515 BFGS: 9739 15:16:10 -2063.319236 164.829224 BFGS: 9740 15:16:10 -2063.320072 162.825385 BFGS: 9741 15:16:10 -2063.326812 149.727994 BFGS: 9742 15:16:11 -2063.336582 137.574187 BFGS: 9743 15:16:11 -2063.345947 128.920595 BFGS: 9744 15:16:11 -2063.351782 124.986980 BFGS: 9745 15:16:11 -2063.352798 126.244233 BFGS: 9746 15:16:11 -2063.352561 127.473791 BFGS: 9747 15:16:11 -2063.352198 127.693015 BFGS: 9748 15:16:11 -2063.351829 127.787809 BFGS: 9749 15:16:11 -2063.351456 127.652057 BFGS: 9750 15:16:12 -2063.351083 127.556654 BFGS: 9751 15:16:12 -2063.350704 127.806002 BFGS: 9752 15:16:12 -2063.350328 127.295327 BFGS: 9753 15:16:12 -2063.349951 127.270918 BFGS: 9754 15:16:12 -2063.349378 129.258266 BFGS: 9755 15:16:12 -2063.349189 127.159568 BFGS: 9756 15:16:12 -2063.348811 127.241331 BFGS: 9757 15:16:12 -2063.348429 127.518646 BFGS: 9758 15:16:13 -2063.348041 127.129187 BFGS: 9759 15:16:13 -2063.347652 127.025935 BFGS: 9760 15:16:13 -2063.347268 127.331983 BFGS: 9761 15:16:13 -2063.346876 126.977097 BFGS: 9762 15:16:13 -2063.346483 126.871031 BFGS: 9763 15:16:13 -2063.346095 127.132842 BFGS: 9764 15:16:13 -2063.345698 126.857554 BFGS: 9765 15:16:13 -2063.345299 126.736141 BFGS: 9766 15:16:13 -2063.344903 126.677358 BFGS: 9767 15:16:13 -2063.344502 127.173292 BFGS: 9768 15:16:14 -2063.344105 126.640860 BFGS: 9769 15:16:14 -2063.343703 126.616701 BFGS: 9770 15:16:14 -2063.341888 131.651906 BFGS: 9771 15:16:14 -2063.342892 126.462680 BFGS: 9772 15:16:14 -2063.342491 126.571977 BFGS: 9773 15:16:14 -2063.342085 126.754545 BFGS: 9774 15:16:14 -2063.341674 126.469878 BFGS: 9775 15:16:14 -2063.341259 126.305131 BFGS: 9776 15:16:15 -2063.340845 126.178112 BFGS: 9777 15:16:15 -2063.339872 128.223695 BFGS: 9778 15:16:15 -2063.340013 125.999366 BFGS: 9779 15:16:15 -2063.339600 126.040299 BFGS: 9780 15:16:15 -2063.339185 126.398373 BFGS: 9781 15:16:15 -2063.338764 126.026183 BFGS: 9782 15:16:16 -2063.338341 125.948670 BFGS: 9783 15:16:16 -2063.337923 126.327006 BFGS: 9784 15:16:16 -2063.337497 125.982849 BFGS: 9785 15:16:16 -2063.337069 125.887725 BFGS: 9786 15:16:16 -2063.336646 126.101519 BFGS: 9787 15:16:17 -2063.336215 125.871778 BFGS: 9788 15:16:17 -2063.335782 125.806882 BFGS: 9789 15:16:17 -2024.757311 4104.759336 BFGS: 9790 15:16:17 -2063.334872 125.002363 BFGS: 9791 15:16:17 -2063.334447 125.221524 BFGS: 9792 15:16:17 -2063.334016 125.925588 BFGS: 9793 15:16:17 -2063.333568 125.526447 BFGS: 9794 15:16:17 -2063.333115 125.354999 BFGS: 9795 15:16:17 -2063.332704 125.331268 BFGS: 9796 15:16:18 -2063.332297 125.845754 BFGS: 9797 15:16:18 -2063.331861 125.397259 BFGS: 9798 15:16:18 -2063.331415 125.263869 BFGS: 9799 15:16:18 -2063.329888 127.678243 BFGS: 9800 15:16:18 -2063.330515 124.977009 BFGS: 9801 15:16:18 -2063.330068 124.952257 BFGS: 9802 15:16:18 -2063.329618 125.065110 BFGS: 9803 15:16:19 -2063.329164 124.810076 BFGS: 9804 15:16:19 -2063.328708 124.702531 BFGS: 9805 15:16:19 -2063.326802 130.697832 BFGS: 9806 15:16:19 -2063.327800 124.866149 BFGS: 9807 15:16:19 -2063.327338 124.869605 BFGS: 9808 15:16:19 -2063.326818 126.477882 BFGS: 9809 15:16:20 -2063.326416 124.905674 BFGS: 9810 15:16:20 -2063.325955 124.903888 BFGS: 9811 15:16:20 -2063.324947 128.462789 BFGS: 9812 15:16:20 -2063.325043 124.905974 BFGS: 9813 15:16:20 -2063.324584 124.931251 BFGS: 9814 15:16:20 -2063.324120 125.117106 BFGS: 9815 15:16:21 -2063.323650 124.731979 BFGS: 9816 15:16:21 -2063.323178 124.604096 BFGS: 9817 15:16:21 -2063.322710 124.813384 BFGS: 9818 15:16:21 -2063.322235 124.514465 BFGS: 9819 15:16:21 -2063.321758 124.405590 BFGS: 9820 15:16:21 -2063.321287 124.548141 BFGS: 9821 15:16:22 -2063.320810 124.485876 BFGS: 9822 15:16:22 -2063.320219 126.151090 BFGS: 9823 15:16:22 -2063.319837 124.169897 BFGS: 9824 15:16:22 -2063.319367 124.401232 BFGS: 9825 15:16:23 -2063.318881 124.127566 BFGS: 9826 15:16:23 -2063.318389 123.899047 BFGS: 9827 15:16:23 -2063.317894 123.663628 BFGS: 9828 15:16:23 -2063.317393 123.480292 BFGS: 9829 15:16:23 -2063.316888 123.275764 BFGS: 9830 15:16:23 -2063.316387 123.207559 BFGS: 9831 15:16:24 -2063.315909 124.433735 BFGS: 9832 15:16:24 -2063.315433 123.828197 BFGS: 9833 15:16:24 -2063.314950 123.679699 BFGS: 9834 15:16:24 -2063.314453 123.819368 BFGS: 9835 15:16:24 -2063.313947 123.884312 BFGS: 9836 15:16:24 -2063.313439 124.198212 BFGS: 9837 15:16:24 -2063.312926 123.869999 BFGS: 9838 15:16:24 -2063.312408 123.689475 BFGS: 9839 15:16:24 -2063.311875 124.246563 BFGS: 9840 15:16:25 -2063.311383 123.581399 BFGS: 9841 15:16:25 -2063.310873 123.314011 BFGS: 9842 15:16:25 -2063.310350 123.021758 BFGS: 9843 15:16:25 -2063.310035 123.070202 BFGS: 9844 15:16:25 -2063.309551 123.117225 BFGS: 9845 15:16:25 -2063.309067 124.426690 BFGS: 9846 15:16:25 -2063.308591 123.615828 BFGS: 9847 15:16:25 -2063.308085 123.567373 BFGS: 9848 15:16:25 -2063.305987 129.036830 BFGS: 9849 15:16:25 -2063.307076 123.587917 BFGS: 9850 15:16:25 -2063.306573 123.732068 BFGS: 9851 15:16:25 -2063.306065 123.993208 BFGS: 9852 15:16:26 -2063.305550 123.693910 BFGS: 9853 15:16:26 -2063.305033 123.549980 BFGS: 9854 15:16:26 -2063.304519 123.487645 BFGS: 9855 15:16:26 -2063.303877 124.967857 BFGS: 9856 15:16:26 -2063.303485 123.384340 BFGS: 9857 15:16:26 -2063.302970 123.458471 BFGS: 9858 15:16:26 -2063.302451 123.853750 BFGS: 9859 15:16:26 -2063.301928 123.391720 BFGS: 9860 15:16:26 -2063.301404 123.333367 BFGS: 9861 15:16:26 -2063.300828 124.559327 BFGS: 9862 15:16:26 -2063.300354 123.239247 BFGS: 9863 15:16:27 -2063.299830 123.300223 BFGS: 9864 15:16:27 -2063.299302 123.744879 BFGS: 9865 15:16:27 -2063.298772 123.188482 BFGS: 9866 15:16:27 -2063.298241 123.152450 BFGS: 9867 15:16:27 -2063.248825 152.633261 BFGS: 9868 15:16:27 -2063.297173 122.981512 BFGS: 9869 15:16:27 -2063.296645 123.125147 BFGS: 9870 15:16:27 -2063.296111 123.303232 BFGS: 9871 15:16:27 -2063.295572 123.059542 BFGS: 9872 15:16:27 -2063.295028 122.867768 BFGS: 9873 15:16:28 -2063.294484 122.685020 BFGS: 9874 15:16:28 -2063.293954 122.735789 BFGS: 9875 15:16:28 -2063.293419 122.903417 BFGS: 9876 15:16:28 -2063.292881 122.994349 BFGS: 9877 15:16:28 -2063.292339 123.345177 BFGS: 9878 15:16:28 -2063.291793 122.854796 BFGS: 9879 15:16:28 -2063.291247 122.809362 BFGS: 9880 15:16:28 -2063.290623 124.204677 BFGS: 9881 15:16:28 -2063.290152 122.721879 BFGS: 9882 15:16:28 -2063.289607 122.788777 BFGS: 9883 15:16:28 -2063.289057 123.200242 BFGS: 9884 15:16:29 -2063.288505 122.689630 BFGS: 9885 15:16:29 -2063.287951 122.636338 BFGS: 9886 15:16:29 -2063.287164 124.822493 BFGS: 9887 15:16:29 -2063.286841 122.522730 BFGS: 9888 15:16:29 -2063.286289 122.616816 BFGS: 9889 15:16:29 -2063.285734 122.919651 BFGS: 9890 15:16:29 -2063.285173 122.534542 BFGS: 9891 15:16:29 -2063.284611 122.429939 BFGS: 9892 15:16:30 -2063.284056 122.659675 BFGS: 9893 15:16:30 -2063.283493 122.470617 BFGS: 9894 15:16:30 -2063.282925 122.687748 BFGS: 9895 15:16:30 -2063.282359 122.327847 BFGS: 9896 15:16:30 -2063.281796 122.110449 BFGS: 9897 15:16:30 -2063.281234 122.129806 BFGS: 9898 15:16:30 -2063.280660 123.168885 BFGS: 9899 15:16:31 -2063.280110 122.330899 BFGS: 9900 15:16:31 -2063.279543 122.353661 BFGS: 9901 15:16:31 -2063.278871 124.040515 BFGS: 9902 15:16:31 -2063.278403 122.263151 BFGS: 9903 15:16:31 -2063.277836 122.340139 BFGS: 9904 15:16:31 -2063.277266 122.822238 BFGS: 9905 15:16:31 -2063.276694 122.288069 BFGS: 9906 15:16:32 -2063.276119 122.213028 BFGS: 9907 15:16:32 -2063.275524 123.204819 BFGS: 9908 15:16:32 -2063.274979 122.258784 BFGS: 9909 15:16:32 -2063.274407 122.270015 BFGS: 9910 15:16:32 -2063.273683 124.334532 BFGS: 9911 15:16:32 -2063.273265 122.287559 BFGS: 9912 15:16:32 -2063.272696 122.357087 BFGS: 9913 15:16:32 -2063.272120 123.295970 BFGS: 9914 15:16:32 -2063.271565 122.480190 BFGS: 9915 15:16:33 -2063.270998 122.367969 BFGS: 9916 15:16:33 -2063.270699 123.694926 BFGS: 9917 15:16:33 -2063.270275 124.451945 BFGS: 9918 15:16:33 -2063.269932 126.058451 BFGS: 9919 15:16:33 -2063.269594 126.606501 BFGS: 9920 15:16:33 -2063.270092 130.232433 BFGS: 9921 15:16:33 -2063.271209 131.970807 BFGS: 9922 15:16:33 -2063.278589 139.213695 BFGS: 9923 15:16:34 -2063.289229 144.684069 BFGS: 9924 15:16:34 -2063.306669 149.796901 BFGS: 9925 15:16:34 -2063.315905 148.099172 BFGS: 9926 15:16:34 -2063.317683 144.687582 BFGS: 9927 15:16:34 -2063.317571 143.570988 BFGS: 9928 15:16:34 -2063.317296 143.515390 BFGS: 9929 15:16:34 -2063.317018 143.763984 BFGS: 9930 15:16:34 -2063.316737 143.542465 BFGS: 9931 15:16:35 -2063.316448 143.806269 BFGS: 9932 15:16:35 -2063.316167 143.378676 BFGS: 9933 15:16:35 -2063.315887 143.308955 BFGS: 9934 15:16:35 -2063.315526 144.883340 BFGS: 9935 15:16:35 -2063.315331 143.472987 BFGS: 9936 15:16:35 -2063.315054 143.601368 BFGS: 9937 15:16:35 -2063.314750 145.025316 BFGS: 9938 15:16:35 -2063.314494 143.735378 BFGS: 9939 15:16:36 -2063.314215 143.868850 BFGS: 9940 15:16:36 -2063.313917 145.020282 BFGS: 9941 15:16:36 -2063.313649 143.865780 BFGS: 9942 15:16:36 -2063.313369 143.984302 BFGS: 9943 15:16:36 -2063.313062 145.250997 BFGS: 9944 15:16:36 -2063.312801 143.974498 BFGS: 9945 15:16:36 -2063.312520 144.104751 BFGS: 9946 15:16:37 -2063.312225 145.150508 BFGS: 9947 15:16:37 -2063.311951 144.099621 BFGS: 9948 15:16:37 -2063.311669 144.202089 BFGS: 9949 15:16:37 -2063.311344 145.692849 BFGS: 9950 15:16:37 -2063.311097 144.187176 BFGS: 9951 15:16:37 -2063.310815 144.339662 BFGS: 9952 15:16:37 -2063.310526 145.176220 BFGS: 9953 15:16:37 -2063.310243 144.344024 BFGS: 9954 15:16:37 -2063.309958 144.408123 BFGS: 9955 15:16:38 -2063.309318 147.943564 BFGS: 9956 15:16:38 -2063.309382 144.376344 BFGS: 9957 15:16:38 -2063.309101 144.604354 BFGS: 9958 15:16:38 -2063.308816 145.067385 BFGS: 9959 15:16:38 -2063.308526 144.640585 BFGS: 9960 15:16:38 -2063.308235 144.568297 BFGS: 9961 15:16:38 -2063.307946 145.446031 BFGS: 9962 15:16:38 -2063.307657 144.704009 BFGS: 9963 15:16:38 -2063.307367 144.697104 BFGS: 9964 15:16:39 -2063.307013 146.646168 BFGS: 9965 15:16:39 -2063.306790 144.799303 BFGS: 9966 15:16:39 -2063.306504 144.943951 BFGS: 9967 15:16:39 -2063.306205 146.012862 BFGS: 9968 15:16:39 -2063.305927 144.966582 BFGS: 9969 15:16:39 -2063.305638 145.033517 BFGS: 9970 15:16:40 -2063.305274 146.788212 BFGS: 9971 15:16:40 -2063.305055 144.982160 BFGS: 9972 15:16:40 -2063.304768 145.141045 BFGS: 9973 15:16:40 -2063.304477 145.792590 BFGS: 9974 15:16:40 -2063.304184 145.146335 BFGS: 9975 15:16:40 -2063.303891 145.165064 BFGS: 9976 15:16:40 -2063.302065 151.982381 BFGS: 9977 15:16:40 -2063.303304 145.148552 BFGS: 9978 15:16:40 -2063.303017 145.409973 BFGS: 9979 15:16:41 -2063.302727 145.797035 BFGS: 9980 15:16:41 -2063.302431 145.465684 BFGS: 9981 15:16:41 -2063.302133 145.334537 BFGS: 9982 15:16:41 -2063.301840 145.658569 BFGS: 9983 15:16:41 -2063.301543 145.679717 BFGS: 9984 15:16:41 -2063.297607 156.229868 BFGS: 9985 15:16:41 -2063.300942 145.425714 BFGS: 9986 15:16:41 -2063.300651 145.671029 BFGS: 9987 15:16:42 -2063.300359 146.200162 BFGS: 9988 15:16:42 -2063.300061 145.835062 BFGS: 9989 15:16:42 -2063.299768 145.594927 BFGS: 9990 15:16:42 -2063.299477 145.655363 BFGS: 9991 15:16:42 -2063.299179 145.510947 BFGS: 9992 15:16:42 -2063.298877 146.194461 BFGS: 9993 15:16:42 -2063.298585 145.682945 BFGS: 9994 15:16:42 -2063.298289 145.650338 BFGS: 9995 15:16:42 -2063.297893 147.570430 BFGS: 9996 15:16:43 -2063.297700 145.839798 BFGS: 9997 15:16:43 -2063.297405 145.984032 BFGS: 9998 15:16:43 -2063.297099 147.030123 BFGS: 9999 15:16:43 -2063.296809 146.059247 BFGS: 10000 15:16:43 -2063.296511 146.150456 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 154.11280810106106 eV/Angstrom Maximum stress component: 0.9214555691202221 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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 2.94357262e-24 1.75929339e-01] [6.66666667e-01 3.33333333e-01 5.09262673e-01] [3.33333333e-01 6.66666667e-01 8.42596006e-01] [0.00000000e+00 4.01759203e-24 3.17728789e-01] [6.66666667e-01 3.33333333e-01 6.51062123e-01] [3.33333333e-01 6.66666667e-01 9.84395456e-01] [0.00000000e+00 9.22207556e-24 4.12782321e-01] [6.66666667e-01 3.33333333e-01 7.46115654e-01] [3.33333333e-01 6.66666667e-01 7.94489872e-02] [0.00000000e+00 0.00000000e+00 4.87941724e-01] [6.66666667e-01 3.33333333e-01 8.21275057e-01] [3.33333333e-01 6.66666667e-01 1.54608391e-01] [0.00000000e+00 0.00000000e+00 5.22912280e-01] [6.66666667e-01 3.33333333e-01 8.56245614e-01] [3.33333333e-01 6.66666667e-01 1.89578947e-01] [0.00000000e+00 3.03195615e-26 6.34167685e-01] [6.66666667e-01 3.33333333e-01 9.67501018e-01] [3.33333333e-01 6.66666667e-01 3.00834352e-01] [1.00000000e+00 0.00000000e+00 8.03743002e-01] [6.66666667e-01 3.33333333e-01 1.37076335e-01] [3.33333333e-01 6.66666667e-01 4.70409669e-01] [1.00000000e+00 0.00000000e+00 8.68617860e-01] [6.66666667e-01 3.33333333e-01 2.01951193e-01] [3.33333333e-01 6.66666667e-01 5.35284526e-01] [4.48260315e-26 0.00000000e+00 5.80833466e-02] [6.66666667e-01 3.33333333e-01 3.91416680e-01] [3.33333333e-01 6.66666667e-01 7.24750013e-01] [1.00000000e+00 1.09124178e-25 8.52304076e-01] [6.66666667e-01 3.33333333e-01 1.85637409e-01] [3.33333333e-01 6.66666667e-01 5.18970742e-01] [1.00000000e+00 5.47671170e-26 7.45525406e-01] [6.66666667e-01 3.33333333e-01 7.88587390e-02] [3.33333333e-01 6.66666667e-01 4.12192072e-01] [0.00000000e+00 5.12980408e-26 5.38279773e-01] [6.66666667e-01 3.33333333e-01 8.71613106e-01] [3.33333333e-01 6.66666667e-01 2.04946440e-01] [0.00000000e+00 0.00000000e+00 5.02678060e-01] [6.66666667e-01 3.33333333e-01 8.36011393e-01] [3.33333333e-01 6.66666667e-01 1.69344726e-01] [0.00000000e+00 0.00000000e+00 4.71004818e-01] [6.66666667e-01 3.33333333e-01 8.04338151e-01] [3.33333333e-01 6.66666667e-01 1.37671484e-01] [0.00000000e+00 0.00000000e+00 3.96468614e-01] [6.66666667e-01 3.33333333e-01 7.29801948e-01] [3.33333333e-01 6.66666667e-01 6.31352809e-02] [7.44943474e-26 0.00000000e+00 3.01383304e-01] [6.66666667e-01 3.33333333e-01 6.34716637e-01] [3.33333333e-01 6.66666667e-01 9.68049970e-01] [0.00000000e+00 6.73107386e-26 1.59192561e-01] [6.66666667e-01 3.33333333e-01 4.92525894e-01] [3.33333333e-01 6.66666667e-01 8.25859227e-01] [1.00000000e+00 5.26512266e-27 9.89288203e-01] [6.66666667e-01 3.33333333e-01 3.22621537e-01] [3.33333333e-01 6.66666667e-01 6.55954870e-01]] cellpar = Cell([[1.7771182203053164, 7.372112998711297e-17, -1.5115925003568423e-15], [-0.8885591101526582, 1.539029524312594, -6.0794353565715475e-15], [-3.041877747276628e-14, -1.1738705278163506e-13, 64.8250005483172]]) forces = [[ 3.40344434e-14 1.31340025e-13 -7.25302919e+01] [ 3.40344434e-14 1.31340025e-13 -7.25302919e+01] [ 3.40344434e-14 1.31340025e-13 -7.25302919e+01] [-2.65789829e-15 -1.02569160e-14 5.66420718e+00] [-2.65789829e-15 -1.02569160e-14 5.66420718e+00] [-2.65789829e-15 -1.02569160e-14 5.66420718e+00] [-1.74679780e-14 -6.74094960e-14 3.72257460e+01] [-1.74679780e-14 -6.74094960e-14 3.72257460e+01] [-1.74679780e-14 -6.74094960e-14 3.72257460e+01] [-7.23165935e-14 -2.79072089e-13 1.54112808e+02] [-7.23165935e-14 -2.79072089e-13 1.54112808e+02] [-7.23165935e-14 -2.79072089e-13 1.54112808e+02] [-5.36858127e-15 -2.07175300e-14 1.14409031e+01] [-5.36858127e-15 -2.07175300e-14 1.14409031e+01] [-5.36858127e-15 -2.07175300e-14 1.14409031e+01] [ 3.84506922e-14 1.48382473e-13 -8.19416937e+01] [ 3.84506922e-14 1.48382473e-13 -8.19416937e+01] [ 3.84506922e-14 1.48382473e-13 -8.19416937e+01] [-2.31380900e-14 -8.92906428e-14 4.93092367e+01] [-2.31380900e-14 -8.92906428e-14 4.93092367e+01] [-2.31380900e-14 -8.92906428e-14 4.93092367e+01] [ 2.29143401e-15 8.84271844e-15 -4.88324065e+00] [ 2.29143401e-15 8.84271844e-15 -4.88324065e+00] [ 2.29143401e-15 8.84271844e-15 -4.88324065e+00] [ 2.20697296e-14 8.51678051e-14 -4.70324698e+01] [ 2.20697296e-14 8.51678051e-14 -4.70324698e+01] [ 2.20697296e-14 8.51678051e-14 -4.70324698e+01] [ 3.89228008e-14 1.50204356e-13 -8.29477971e+01] [ 3.89228008e-14 1.50204356e-13 -8.29477971e+01] [ 3.89228008e-14 1.50204356e-13 -8.29477971e+01] [-2.48562916e-14 -9.59212387e-14 5.29708703e+01] [-2.48562916e-14 -9.59212387e-14 5.29708703e+01] [-2.48562916e-14 -9.59212387e-14 5.29708703e+01] [-3.29583242e-14 -1.27187246e-13 7.02369905e+01] [-3.29583242e-14 -1.27187246e-13 7.02369905e+01] [-3.29583242e-14 -1.27187246e-13 7.02369905e+01] [ 5.64641548e-14 2.17897012e-13 -1.20329914e+02] [ 5.64641548e-14 2.17897012e-13 -1.20329914e+02] [ 5.64641548e-14 2.17897012e-13 -1.20329914e+02] [ 1.54402306e-14 5.95843527e-14 -3.29044439e+01] [ 1.54402306e-14 5.95843527e-14 -3.29044439e+01] [ 1.54402306e-14 5.95843527e-14 -3.29044439e+01] [ 2.00757801e-14 7.74730892e-14 -4.27831940e+01] [ 2.00757801e-14 7.74730892e-14 -4.27831940e+01] [ 2.00757801e-14 7.74730892e-14 -4.27831940e+01] [-2.13164600e-14 -8.22609131e-14 4.54271882e+01] [-2.13164600e-14 -8.22609131e-14 4.54271882e+01] [-2.13164600e-14 -8.22609131e-14 4.54271882e+01] [-1.31927146e-14 -5.09111154e-14 2.81147964e+01] [-1.31927146e-14 -5.09111154e-14 2.81147964e+01] [-1.31927146e-14 -5.09111154e-14 2.81147964e+01] [-1.44763340e-14 -5.58646443e-14 3.08502983e+01] [-1.44763340e-14 -5.58646443e-14 3.08502983e+01] [-1.44763340e-14 -5.58646443e-14 3.08502983e+01]] stress = [ 9.21455569e-01 9.21455569e-01 -7.51050067e-02 1.32150674e-15 3.91942263e-16 -1.34006951e-16] energy per atom = -38.20919465669573 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0