element(s): ['C', 'H', 'O'] AFLOW prototype label: AB2C_oP80_60_c2d_5d_c2d Parameter names: ['a', 'b/a', 'c/a', 'y1', 'y2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['8.3779', '1.302355', '0.93903007', '0.0055976307', '0.39603281', '0.27320821', '0.63725026', '0.30410201', '0.40956961', '0.82695426', '0.36824384', '0.45774976', '0.44813508', '0.35556668', '0.30552576', '0.60793114', '0.43384904', '0.14950563', '0.61134274', '0.2752196', '0.48557147', '0.75967684', '0.43446358', '0.360958', '0.89501794', '0.45691948', '0.37316064', '0.57693153', '0.18202617', '0.27834912', '0.76608798', '0.28823648'] model name: Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'O', 'O', 'O'] representative atom coordinates = [[0. 0.00559763 0.25 ] [0.27320821 0.63725026 0.30410201] [0.40956961 0.82695426 0.36824384] [0.45774976 0.44813508 0.35556668] [0.30552576 0.60793114 0.43384904] [0.14950563 0.61134274 0.2752196 ] [0.48557147 0.75967684 0.43446358] [0.360958 0.89501794 0.45691948] [0. 0.39603281 0.25 ] [0.37316064 0.57693153 0.18202617] [0.27834912 0.76608798 0.28823648]] spacegroup = 60 cell = [[8.3779, 0, 0], [0, 10.911, 0], [0, 0, 7.8671]] ========================================= Step Time Energy fmax BFGS: 0 21:12:34 -344.728753 6.1568 BFGS: 1 21:12:34 -345.031982 5.7133 BFGS: 2 21:12:34 -347.826120 1.8947 BFGS: 3 21:12:34 -349.634849 3.2139 BFGS: 4 21:12:35 -350.083885 7.4407 BFGS: 5 21:12:35 -351.544144 2.1626 BFGS: 6 21:12:36 -351.654042 3.4686 BFGS: 7 21:12:36 -352.117193 0.7606 BFGS: 8 21:12:37 -352.260253 0.9527 BFGS: 9 21:12:37 -352.351749 0.5333 BFGS: 10 21:12:38 -352.393800 0.2043 BFGS: 11 21:12:39 -352.423110 0.2595 BFGS: 12 21:12:39 -352.458702 0.2585 BFGS: 13 21:12:40 -352.473141 0.1119 BFGS: 14 21:12:41 -352.483588 0.0931 BFGS: 15 21:12:42 -352.490658 0.1069 BFGS: 16 21:12:43 -352.493322 0.0706 BFGS: 17 21:12:43 -352.493200 0.0564 BFGS: 18 21:12:45 -352.492954 0.0785 BFGS: 19 21:12:46 -352.496724 0.1090 BFGS: 20 21:12:47 -352.501511 0.1301 BFGS: 21 21:12:48 -352.508121 0.0965 BFGS: 22 21:12:49 -352.513416 0.0733 BFGS: 23 21:12:51 -352.520210 0.0753 BFGS: 24 21:12:52 -352.527063 0.1181 BFGS: 25 21:12:53 -352.533896 0.1123 BFGS: 26 21:12:55 -352.541176 0.0940 BFGS: 27 21:12:56 -352.549092 0.1011 BFGS: 28 21:12:57 -352.558277 0.1353 BFGS: 29 21:12:58 -352.568349 0.1610 BFGS: 30 21:12:59 -352.578786 0.1388 BFGS: 31 21:13:00 -352.589816 0.1345 BFGS: 32 21:13:00 -352.601020 0.1522 BFGS: 33 21:13:02 -352.612408 0.1529 BFGS: 34 21:13:03 -352.623468 0.1450 BFGS: 35 21:13:04 -352.634831 0.1179 BFGS: 36 21:13:05 -352.644892 0.1437 BFGS: 37 21:13:06 -352.657367 0.1322 BFGS: 38 21:13:07 -352.664765 0.1623 BFGS: 39 21:13:07 -352.675783 0.1455 BFGS: 40 21:13:08 -352.687555 0.1465 BFGS: 41 21:13:09 -352.701389 0.1366 BFGS: 42 21:13:10 -352.714425 0.1262 BFGS: 43 21:13:11 -352.727313 0.1178 BFGS: 44 21:13:12 -352.736957 0.1385 BFGS: 45 21:13:13 -352.747199 0.0991 BFGS: 46 21:13:14 -352.751791 0.1449 BFGS: 47 21:13:15 -352.758149 0.0970 BFGS: 48 21:13:16 -352.762347 0.1061 BFGS: 49 21:13:17 -352.766052 0.0883 BFGS: 50 21:13:19 -352.769282 0.1107 BFGS: 51 21:13:20 -352.774284 0.0912 BFGS: 52 21:13:20 -352.778022 0.0998 BFGS: 53 21:13:21 -352.782744 0.0693 BFGS: 54 21:13:22 -352.785795 0.0732 BFGS: 55 21:13:23 -352.788634 0.0650 BFGS: 56 21:13:24 -352.789655 0.0724 BFGS: 57 21:13:26 -352.790764 0.0640 BFGS: 58 21:13:26 -352.791670 0.0618 BFGS: 59 21:13:28 -352.792451 0.0591 BFGS: 60 21:13:30 -352.792953 0.0582 BFGS: 61 21:13:31 -352.793775 0.0568 BFGS: 62 21:13:31 -352.794833 0.0553 BFGS: 63 21:13:32 -352.796335 0.0549 BFGS: 64 21:13:33 -352.798269 0.0537 BFGS: 65 21:13:34 -352.800990 0.0618 BFGS: 66 21:13:35 -352.804429 0.0643 BFGS: 67 21:13:36 -352.806773 0.0783 BFGS: 68 21:13:37 -352.808929 0.0854 BFGS: 69 21:13:37 -352.811302 0.1017 BFGS: 70 21:13:38 -352.814995 0.1003 BFGS: 71 21:13:40 -352.818474 0.0998 BFGS: 72 21:13:40 -352.821931 0.0999 BFGS: 73 21:13:41 -352.825332 0.1001 BFGS: 74 21:13:43 -352.828708 0.1006 BFGS: 75 21:13:43 -352.832049 0.1011 BFGS: 76 21:13:44 -352.835372 0.1017 BFGS: 77 21:13:45 -352.838670 0.1023 BFGS: 78 21:13:46 -352.841956 0.1028 BFGS: 79 21:13:47 -352.845220 0.1033 BFGS: 80 21:13:48 -352.848473 0.1037 BFGS: 81 21:13:49 -352.851706 0.1041 BFGS: 82 21:13:49 -352.854927 0.1044 BFGS: 83 21:13:50 -352.858128 0.1046 BFGS: 84 21:13:50 -352.861316 0.1048 BFGS: 85 21:13:51 -352.864481 0.1049 BFGS: 86 21:13:52 -352.867611 0.1049 BFGS: 87 21:13:53 -352.870738 0.1049 BFGS: 88 21:13:54 -352.873853 0.1049 BFGS: 89 21:13:55 -352.876942 0.1047 BFGS: 90 21:13:56 -352.880024 0.1045 BFGS: 91 21:13:56 -352.882798 0.1045 BFGS: 92 21:13:57 -352.885936 0.1041 BFGS: 93 21:13:58 -352.888815 0.1038 BFGS: 94 21:13:59 -352.891826 0.1034 BFGS: 95 21:14:00 -352.894741 0.1030 BFGS: 96 21:14:01 -352.897687 0.1026 BFGS: 97 21:14:02 -352.900589 0.1021 BFGS: 98 21:14:03 -352.904576 0.0903 BFGS: 99 21:14:04 -352.906187 0.1031 BFGS: 100 21:14:04 -352.910043 0.0916 BFGS: 101 21:14:05 -352.913097 0.1012 BFGS: 102 21:14:07 -352.915424 0.0909 BFGS: 103 21:14:07 -352.917997 0.0909 BFGS: 104 21:14:09 -352.920993 0.0999 BFGS: 105 21:14:10 -352.923222 0.0901 BFGS: 106 21:14:10 -352.926141 0.0989 BFGS: 107 21:14:11 -352.928737 0.0982 BFGS: 108 21:14:12 -352.931296 0.0976 BFGS: 109 21:14:13 -352.934331 0.0918 BFGS: 110 21:14:14 -352.936881 0.0915 BFGS: 111 21:14:16 -352.939977 0.0876 BFGS: 112 21:14:16 -352.942489 0.0876 BFGS: 113 21:14:17 -352.944962 0.0875 BFGS: 114 21:14:18 -352.947453 0.0875 BFGS: 115 21:14:18 -352.949918 0.0874 BFGS: 116 21:14:19 -352.951539 0.0912 BFGS: 117 21:14:20 -352.954866 0.0869 BFGS: 118 21:14:20 -352.956456 0.0907 BFGS: 119 21:14:21 -352.958933 0.0903 BFGS: 120 21:14:21 -352.963083 0.0835 BFGS: 121 21:14:22 -352.964657 0.0877 BFGS: 122 21:14:23 -352.967947 0.0833 BFGS: 123 21:14:23 -352.970332 0.0833 BFGS: 124 21:14:24 -352.972745 0.0832 BFGS: 125 21:14:25 -352.975118 0.0831 BFGS: 126 21:14:26 -352.977512 0.0830 BFGS: 127 21:14:26 -352.979868 0.0828 BFGS: 128 21:14:27 -352.982242 0.0826 BFGS: 129 21:14:27 -352.984578 0.0823 BFGS: 130 21:14:28 -352.986933 0.0820 BFGS: 131 21:14:29 -352.989244 0.0816 BFGS: 132 21:14:29 -352.991577 0.0811 BFGS: 133 21:14:30 -352.993860 0.0807 BFGS: 134 21:14:31 -352.995847 0.0687 BFGS: 135 21:14:31 -352.998284 0.0807 BFGS: 136 21:14:32 -353.000309 0.0677 BFGS: 137 21:14:32 -353.001239 0.0679 BFGS: 138 21:14:33 -353.003429 0.0681 BFGS: 139 21:14:34 -353.005540 0.0684 BFGS: 140 21:14:34 -353.007614 0.0684 BFGS: 141 21:14:34 -353.009674 0.0683 BFGS: 142 21:14:34 -353.010796 0.0681 BFGS: 143 21:14:34 -353.013730 0.0683 BFGS: 144 21:14:34 -353.014769 0.0680 BFGS: 145 21:14:34 -353.016725 0.0677 BFGS: 146 21:14:35 -353.018640 0.0675 BFGS: 147 21:14:35 -353.020535 0.0668 BFGS: 148 21:14:36 -353.022399 0.0661 BFGS: 149 21:14:36 -353.023207 0.0651 BFGS: 150 21:14:36 -353.026014 0.0646 BFGS: 151 21:14:37 -353.027724 0.0638 BFGS: 152 21:14:37 -353.029435 0.0624 BFGS: 153 21:14:38 -353.031104 0.0610 BFGS: 154 21:14:39 -353.032750 0.0592 BFGS: 155 21:14:40 -353.034359 0.0573 BFGS: 156 21:14:40 -353.035939 0.0551 BFGS: 157 21:14:41 -353.037482 0.0526 BFGS: 158 21:14:42 -353.038993 0.0498 BFGS: 159 21:14:43 -353.039842 0.0467 BFGS: 160 21:14:44 -353.041914 0.0434 BFGS: 161 21:14:44 -353.043282 0.0401 BFGS: 162 21:14:45 -353.044669 0.0359 BFGS: 163 21:14:46 -353.045981 0.0319 BFGS: 164 21:14:47 -353.047319 0.0285 BFGS: 165 21:14:47 -353.048610 0.0304 BFGS: 166 21:14:48 -353.050954 0.0346 BFGS: 167 21:14:49 -353.053764 0.0354 BFGS: 168 21:14:50 -353.055187 0.0504 BFGS: 169 21:14:51 -353.057381 0.0664 BFGS: 170 21:14:52 -353.058574 0.0714 BFGS: 171 21:14:52 -353.059809 0.0727 BFGS: 172 21:14:53 -353.061021 0.0727 BFGS: 173 21:14:54 -353.062291 0.0723 BFGS: 174 21:14:55 -353.063629 0.0744 BFGS: 175 21:14:55 -353.065102 0.0764 BFGS: 176 21:14:56 -353.066786 0.0773 BFGS: 177 21:14:57 -353.068864 0.0779 BFGS: 178 21:14:58 -353.071727 0.0763 BFGS: 179 21:14:59 -353.076088 0.0723 BFGS: 180 21:14:59 -353.078990 0.1162 BFGS: 181 21:15:00 -353.081665 0.1166 BFGS: 182 21:15:01 -353.084115 0.1165 BFGS: 183 21:15:02 -353.086485 0.1159 BFGS: 184 21:15:02 -353.088799 0.1151 BFGS: 185 21:15:03 -353.091078 0.1141 BFGS: 186 21:15:04 -353.093326 0.1132 BFGS: 187 21:15:05 -353.095550 0.1123 BFGS: 188 21:15:05 -353.097751 0.1118 BFGS: 189 21:15:06 -353.099932 0.1112 BFGS: 190 21:15:07 -353.102095 0.1105 BFGS: 191 21:15:08 -353.104240 0.1096 BFGS: 192 21:15:08 -353.106368 0.1086 BFGS: 193 21:15:09 -353.109586 0.0936 BFGS: 194 21:15:09 -353.111609 0.0933 BFGS: 195 21:15:10 -353.113627 0.0933 BFGS: 196 21:15:11 -353.115610 0.0928 BFGS: 197 21:15:11 -353.117580 0.0923 BFGS: 198 21:15:11 -353.119530 0.0916 BFGS: 199 21:15:12 -353.122080 0.0856 BFGS: 200 21:15:12 -353.123977 0.0848 BFGS: 201 21:15:13 -353.125864 0.0842 BFGS: 202 21:15:14 -353.128010 0.0760 BFGS: 203 21:15:14 -353.129846 0.0755 BFGS: 204 21:15:15 -353.131663 0.0750 BFGS: 205 21:15:15 -353.133462 0.0744 BFGS: 206 21:15:16 -353.135248 0.0738 BFGS: 207 21:15:17 -353.137021 0.0730 BFGS: 208 21:15:18 -353.138781 0.0722 BFGS: 209 21:15:18 -353.140531 0.0713 BFGS: 210 21:15:19 -353.142270 0.0703 BFGS: 211 21:15:20 -353.144000 0.0692 BFGS: 212 21:15:21 -353.146620 0.0652 BFGS: 213 21:15:21 -353.148321 0.0650 BFGS: 214 21:15:22 -353.150012 0.0649 BFGS: 215 21:15:23 -353.151693 0.0649 BFGS: 216 21:15:23 -353.153367 0.0647 BFGS: 217 21:15:25 -353.155033 0.0646 BFGS: 218 21:15:25 -353.156692 0.0645 BFGS: 219 21:15:26 -353.158345 0.0643 BFGS: 220 21:15:27 -353.159993 0.0641 BFGS: 221 21:15:27 -353.161635 0.0638 BFGS: 222 21:15:29 -353.163274 0.0636 BFGS: 223 21:15:29 -353.164910 0.0633 BFGS: 224 21:15:30 -353.166543 0.0630 BFGS: 225 21:15:31 -353.168174 0.0626 BFGS: 226 21:15:32 -353.169804 0.0623 BFGS: 227 21:15:32 -353.171434 0.0619 BFGS: 228 21:15:32 -353.173065 0.0615 BFGS: 229 21:15:33 -353.174697 0.0611 BFGS: 230 21:15:34 -353.176333 0.0607 BFGS: 231 21:15:34 -353.177973 0.0602 BFGS: 232 21:15:35 -353.179618 0.0597 BFGS: 233 21:15:36 -353.181269 0.0592 BFGS: 234 21:15:36 -353.182929 0.0587 BFGS: 235 21:15:37 -353.184597 0.0581 BFGS: 236 21:15:38 -353.186277 0.0575 BFGS: 237 21:15:39 -353.187969 0.0569 BFGS: 238 21:15:39 -353.189676 0.0563 BFGS: 239 21:15:40 -353.191398 0.0556 BFGS: 240 21:15:41 -353.193138 0.0550 BFGS: 241 21:15:41 -353.194899 0.0542 BFGS: 242 21:15:42 -353.196681 0.0535 BFGS: 243 21:15:42 -353.198488 0.0527 BFGS: 244 21:15:43 -353.200321 0.0519 BFGS: 245 21:15:44 -353.202185 0.0511 BFGS: 246 21:15:44 -353.204095 0.0509 BFGS: 247 21:15:45 -353.206007 0.0518 BFGS: 248 21:15:45 -353.207950 0.0530 BFGS: 249 21:15:46 -353.209949 0.0546 BFGS: 250 21:15:47 -353.211980 0.0560 BFGS: 251 21:15:48 -353.214099 0.0577 BFGS: 252 21:15:49 -353.216287 0.0598 BFGS: 253 21:15:50 -353.218483 0.0610 BFGS: 254 21:15:51 -353.220807 0.0631 BFGS: 255 21:15:52 -353.223106 0.0646 BFGS: 256 21:15:52 -353.223981 0.0663 BFGS: 257 21:15:53 -353.225765 0.0678 BFGS: 258 21:15:54 -353.226374 0.0680 BFGS: 259 21:15:54 -353.228602 0.0690 BFGS: 260 21:15:55 -353.229600 0.0681 BFGS: 261 21:15:56 -353.231842 0.0675 BFGS: 262 21:15:57 -353.232813 0.0662 BFGS: 263 21:15:58 -353.233812 0.0651 BFGS: 264 21:15:59 -353.234867 0.0637 BFGS: 265 21:16:00 -353.235980 0.0622 BFGS: 266 21:16:00 -353.236409 0.0604 BFGS: 267 21:16:01 -353.237088 0.0591 BFGS: 268 21:16:02 -353.237637 0.0573 BFGS: 269 21:16:02 -353.239757 0.0557 BFGS: 270 21:16:03 -353.240468 0.0536 BFGS: 271 21:16:04 -353.242017 0.0520 BFGS: 272 21:16:05 -353.243571 0.0501 BFGS: 273 21:16:06 -353.245262 0.0480 BFGS: 274 21:16:06 -353.247098 0.0463 BFGS: 275 21:16:07 -353.248152 0.0546 BFGS: 276 21:16:07 -353.251267 0.0639 BFGS: 277 21:16:08 -353.252737 0.0744 BFGS: 278 21:16:09 -353.255372 0.0857 BFGS: 279 21:16:09 -353.258393 0.0988 BFGS: 280 21:16:10 -353.261841 0.1135 BFGS: 281 21:16:11 -353.265950 0.1356 BFGS: 282 21:16:11 -353.266630 0.1922 BFGS: 283 21:16:12 -353.276003 0.2192 BFGS: 284 21:16:12 -353.281579 0.2382 BFGS: 285 21:16:13 -353.287935 0.2474 BFGS: 286 21:16:14 -353.294805 0.2470 BFGS: 287 21:16:15 -353.301735 0.2396 BFGS: 288 21:16:15 -353.307789 0.2277 BFGS: 289 21:16:16 -353.314360 0.2120 BFGS: 290 21:16:17 -353.323324 0.1908 BFGS: 291 21:16:17 -353.336063 0.1367 BFGS: 292 21:16:17 -353.348376 0.1038 BFGS: 293 21:16:18 -353.354799 0.0940 BFGS: 294 21:16:19 -353.358426 0.0941 BFGS: 295 21:16:20 -353.361222 0.0913 BFGS: 296 21:16:21 -353.363645 0.0886 BFGS: 297 21:16:21 -353.365841 0.0869 BFGS: 298 21:16:21 -353.367871 0.0845 BFGS: 299 21:16:22 -353.369769 0.0818 BFGS: 300 21:16:23 -353.371551 0.0788 BFGS: 301 21:16:24 -353.373230 0.0756 BFGS: 302 21:16:25 -353.374812 0.0721 BFGS: 303 21:16:25 -353.376302 0.0685 BFGS: 304 21:16:26 -353.377702 0.0648 BFGS: 305 21:16:27 -353.379016 0.0609 BFGS: 306 21:16:28 -353.380243 0.0569 BFGS: 307 21:16:29 -353.381386 0.0528 BFGS: 308 21:16:30 -353.382444 0.0486 BFGS: 309 21:16:31 -353.383418 0.0443 BFGS: 310 21:16:32 -353.384307 0.0400 BFGS: 311 21:16:33 -353.385118 0.0356 BFGS: 312 21:16:33 -353.385843 0.0307 BFGS: 313 21:16:34 -353.386496 0.0274 BFGS: 314 21:16:35 -353.387053 0.0230 BFGS: 315 21:16:35 -353.387527 0.0198 BFGS: 316 21:16:36 -353.387913 0.0177 BFGS: 317 21:16:37 -353.388212 0.0162 BFGS: 318 21:16:38 -353.386103 0.0144 BFGS: 319 21:16:39 -353.385572 0.0135 BFGS: 320 21:16:40 -353.385596 0.0119 BFGS: 321 21:16:41 -353.386247 0.0115 BFGS: 322 21:16:41 -353.386278 0.0105 BFGS: 323 21:16:42 -353.385718 0.0073 BFGS: 324 21:16:43 -353.386395 0.0098 BFGS: 325 21:16:44 -353.386410 0.0090 BFGS: 326 21:16:46 -353.385794 0.0073 BFGS: 327 21:16:46 -353.385799 0.0060 BFGS: 328 21:16:47 -353.386432 0.0064 BFGS: 329 21:16:48 -353.385808 0.0034 BFGS: 330 21:16:49 -353.385810 0.0035 BFGS: 331 21:16:50 -353.385812 0.0038 BFGS: 332 21:16:51 -353.386436 0.0045 BFGS: 333 21:16:51 -353.386438 0.0044 BFGS: 334 21:16:52 -353.385812 0.0044 BFGS: 335 21:16:54 -353.385815 0.0041 BFGS: 336 21:16:55 -353.386436 0.0049 BFGS: 337 21:16:56 -353.385817 0.0036 BFGS: 338 21:16:56 -353.386441 0.0047 BFGS: 339 21:16:57 -353.386443 0.0048 BFGS: 340 21:16:58 -353.385821 0.0035 BFGS: 341 21:16:58 -353.385822 0.0035 BFGS: 342 21:16:59 -353.386445 0.0049 BFGS: 343 21:16:59 -353.386447 0.0048 BFGS: 344 21:17:00 -353.385822 0.0038 BFGS: 345 21:17:01 -353.385824 0.0037 BFGS: 346 21:17:01 -353.386445 0.0050 BFGS: 347 21:17:02 -353.386450 0.0047 BFGS: 348 21:17:03 -353.385822 0.0043 BFGS: 349 21:17:03 -353.385826 0.0040 BFGS: 350 21:17:04 -353.386447 0.0053 BFGS: 351 21:17:05 -353.385829 0.0038 BFGS: 352 21:17:06 -353.386454 0.0049 BFGS: 353 21:17:06 -353.386458 0.0050 BFGS: 354 21:17:07 -353.385137 0.0088 BFGS: 355 21:17:08 -353.385911 0.0056 BFGS: 356 21:17:08 -353.386574 0.0087 BFGS: 357 21:17:09 -353.386630 0.0081 BFGS: 358 21:17:10 -353.386658 0.0089 BFGS: 359 21:17:11 -353.386695 0.0079 BFGS: 360 21:17:12 -353.386736 0.0074 BFGS: 361 21:17:13 -353.386763 0.0051 BFGS: 362 21:17:13 -353.386786 0.0045 BFGS: 363 21:17:14 -353.386790 0.0047 BFGS: 364 21:17:15 -353.386168 0.0036 BFGS: 365 21:17:15 -353.386169 0.0037 BFGS: 366 21:17:16 -353.386794 0.0043 BFGS: 367 21:17:18 -353.386171 0.0036 BFGS: 368 21:17:19 -353.386172 0.0036 BFGS: 369 21:17:19 -353.386796 0.0045 BFGS: 370 21:17:20 -353.386797 0.0044 BFGS: 371 21:17:21 -353.386169 0.0039 BFGS: 372 21:17:22 -353.386172 0.0036 BFGS: 373 21:17:23 -353.386795 0.0048 BFGS: 374 21:17:24 -353.386797 0.0045 BFGS: 375 21:17:25 -353.386166 0.0042 BFGS: 376 21:17:25 -353.386171 0.0037 BFGS: 377 21:17:26 -353.386793 0.0051 BFGS: 378 21:17:27 -353.386797 0.0045 BFGS: 379 21:17:28 -353.386164 0.0046 BFGS: 380 21:17:28 -353.386171 0.0038 BFGS: 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0.0049 BFGS: 1880 21:33:10 -353.386258 0.0050 BFGS: 1881 21:33:10 -353.386263 0.0040 BFGS: 1882 21:33:11 -353.387801 0.0129 BFGS: 1883 21:33:12 -353.386884 0.0049 BFGS: 1884 21:33:12 -353.386258 0.0050 BFGS: 1885 21:33:13 -353.386263 0.0040 BFGS: 1886 21:33:14 -353.387801 0.0129 BFGS: 1887 21:33:15 -353.386884 0.0049 BFGS: 1888 21:33:15 -353.386258 0.0050 BFGS: 1889 21:33:16 -353.386263 0.0040 BFGS: 1890 21:33:17 -353.387801 0.0129 BFGS: 1891 21:33:18 -353.386884 0.0049 BFGS: 1892 21:33:18 -353.386258 0.0050 BFGS: 1893 21:33:19 -353.386263 0.0040 BFGS: 1894 21:33:20 -353.387801 0.0129 BFGS: 1895 21:33:20 -353.386884 0.0049 BFGS: 1896 21:33:21 -353.386258 0.0050 BFGS: 1897 21:33:21 -353.386263 0.0040 BFGS: 1898 21:33:22 -353.387801 0.0129 BFGS: 1899 21:33:22 -353.386884 0.0049 BFGS: 1900 21:33:23 -353.386258 0.0050 BFGS: 1901 21:33:23 -353.386263 0.0040 BFGS: 1902 21:33:24 -353.387801 0.0129 BFGS: 1903 21:33:24 -353.386884 0.0049 BFGS: 1904 21:33:25 -353.386258 0.0050 BFGS: 1905 21:33:26 -353.386263 0.0040 BFGS: 1906 21:33:26 -353.387801 0.0129 BFGS: 1907 21:33:27 -353.386884 0.0049 BFGS: 1908 21:33:28 -353.386258 0.0050 BFGS: 1909 21:33:29 -353.386263 0.0040 BFGS: 1910 21:33:30 -353.387801 0.0129 BFGS: 1911 21:33:30 -353.386884 0.0049 BFGS: 1912 21:33:31 -353.386258 0.0050 BFGS: 1913 21:33:32 -353.386263 0.0040 BFGS: 1914 21:33:32 -353.387801 0.0129 BFGS: 1915 21:33:33 -353.386884 0.0049 BFGS: 1916 21:33:33 -353.386258 0.0050 BFGS: 1917 21:33:34 -353.386263 0.0040 BFGS: 1918 21:33:35 -353.387801 0.0129 BFGS: 1919 21:33:35 -353.386884 0.0049 BFGS: 1920 21:33:35 -353.386258 0.0050 BFGS: 1921 21:33:36 -353.386263 0.0040 BFGS: 1922 21:33:37 -353.387801 0.0129 BFGS: 1923 21:33:38 -353.386884 0.0049 BFGS: 1924 21:33:39 -353.386258 0.0050 BFGS: 1925 21:33:39 -353.386263 0.0040 BFGS: 1926 21:33:40 -353.387801 0.0129 BFGS: 1927 21:33:41 -353.386884 0.0049 BFGS: 1928 21:33:41 -353.386258 0.0050 BFGS: 1929 21:33:42 -353.386263 0.0040 BFGS: 1930 21:33:42 -353.387801 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21:33:55 -353.386258 0.0050 BFGS: 1957 21:33:56 -353.386263 0.0040 BFGS: 1958 21:33:57 -353.387801 0.0129 BFGS: 1959 21:33:57 -353.386884 0.0049 BFGS: 1960 21:33:58 -353.386258 0.0050 BFGS: 1961 21:33:58 -353.386263 0.0040 BFGS: 1962 21:34:00 -353.387801 0.0129 BFGS: 1963 21:34:01 -353.386884 0.0049 BFGS: 1964 21:34:02 -353.386258 0.0050 BFGS: 1965 21:34:02 -353.386263 0.0040 BFGS: 1966 21:34:03 -353.387801 0.0129 BFGS: 1967 21:34:03 -353.386884 0.0049 BFGS: 1968 21:34:04 -353.386258 0.0050 BFGS: 1969 21:34:05 -353.386263 0.0040 BFGS: 1970 21:34:05 -353.387801 0.0129 BFGS: 1971 21:34:06 -353.386884 0.0049 BFGS: 1972 21:34:06 -353.386258 0.0050 BFGS: 1973 21:34:07 -353.386263 0.0040 BFGS: 1974 21:34:08 -353.387801 0.0129 BFGS: 1975 21:34:08 -353.386884 0.0049 BFGS: 1976 21:34:09 -353.386258 0.0050 BFGS: 1977 21:34:10 -353.386263 0.0040 BFGS: 1978 21:34:11 -353.387801 0.0129 BFGS: 1979 21:34:12 -353.386884 0.0049 BFGS: 1980 21:34:12 -353.386258 0.0050 BFGS: 1981 21:34:13 -353.386263 0.0040 BFGS: 1982 21:34:14 -353.387801 0.0129 BFGS: 1983 21:34:14 -353.386884 0.0049 BFGS: 1984 21:34:15 -353.386258 0.0050 BFGS: 1985 21:34:15 -353.386263 0.0040 BFGS: 1986 21:34:16 -353.387801 0.0129 BFGS: 1987 21:34:17 -353.386884 0.0049 BFGS: 1988 21:34:17 -353.386258 0.0050 BFGS: 1989 21:34:18 -353.386263 0.0040 BFGS: 1990 21:34:18 -353.387801 0.0129 BFGS: 1991 21:34:19 -353.386884 0.0049 BFGS: 1992 21:34:20 -353.386258 0.0050 BFGS: 1993 21:34:20 -353.386263 0.0040 BFGS: 1994 21:34:21 -353.387801 0.0129 BFGS: 1995 21:34:21 -353.386884 0.0049 BFGS: 1996 21:34:21 -353.386258 0.0050 BFGS: 1997 21:34:21 -353.386263 0.0040 BFGS: 1998 21:34:21 -353.387801 0.0129 BFGS: 1999 21:34:21 -353.386884 0.0049 BFGS: 2000 21:34:22 -353.386258 0.0050 BFGS: 2001 21:34:22 -353.386263 0.0040 BFGS: 2002 21:34:23 -353.387801 0.0129 BFGS: 2003 21:34:23 -353.386884 0.0049 BFGS: 2004 21:34:24 -353.386258 0.0050 BFGS: 2005 21:34:25 -353.386263 0.0040 BFGS: 2006 21:34:25 -353.387801 0.0129 BFGS: 2007 21:34:26 -353.386884 0.0049 BFGS: 2008 21:34:26 -353.386258 0.0050 BFGS: 2009 21:34:27 -353.386263 0.0040 BFGS: 2010 21:34:27 -353.387801 0.0129 BFGS: 2011 21:34:28 -353.386884 0.0049 BFGS: 2012 21:34:28 -353.386258 0.0050 BFGS: 2013 21:34:29 -353.386263 0.0040 BFGS: 2014 21:34:30 -353.387801 0.0129 BFGS: 2015 21:34:31 -353.386884 0.0049 BFGS: 2016 21:34:32 -353.386258 0.0050 BFGS: 2017 21:34:32 -353.386263 0.0040 BFGS: 2018 21:34:33 -353.387801 0.0129 BFGS: 2019 21:34:34 -353.386884 0.0049 BFGS: 2020 21:34:34 -353.386258 0.0050 BFGS: 2021 21:34:35 -353.386263 0.0040 BFGS: 2022 21:34:36 -353.387801 0.0129 BFGS: 2023 21:34:37 -353.386884 0.0049 BFGS: 2024 21:34:37 -353.386258 0.0050 BFGS: 2025 21:34:38 -353.386263 0.0040 BFGS: 2026 21:34:39 -353.387801 0.0129 BFGS: 2027 21:34:40 -353.386884 0.0049 BFGS: 2028 21:34:40 -353.386258 0.0050 BFGS: 2029 21:34:41 -353.386263 0.0040 BFGS: 2030 21:34:42 -353.387801 0.0129 BFGS: 2031 21:34:43 -353.386884 0.0049 BFGS: 2032 21:34:43 -353.386258 0.0050 BFGS: 2033 21:34:44 -353.386263 0.0040 BFGS: 2034 21:34:45 -353.387801 0.0129 BFGS: 2035 21:34:46 -353.386884 0.0049 BFGS: 2036 21:34:47 -353.386258 0.0050 BFGS: 2037 21:34:48 -353.386263 0.0040 BFGS: 2038 21:34:49 -353.387801 0.0129 BFGS: 2039 21:34:50 -353.386884 0.0049 BFGS: 2040 21:34:51 -353.386258 0.0050 BFGS: 2041 21:34:52 -353.386263 0.0040 BFGS: 2042 21:34:53 -353.387801 0.0129 BFGS: 2043 21:34:53 -353.386884 0.0049 BFGS: 2044 21:34:54 -353.386258 0.0050 BFGS: 2045 21:34:55 -353.386263 0.0040 BFGS: 2046 21:34:56 -353.387801 0.0129 BFGS: 2047 21:34:56 -353.386884 0.0049 BFGS: 2048 21:34:57 -353.386258 0.0050 BFGS: 2049 21:34:58 -353.386263 0.0040 BFGS: 2050 21:34:58 -353.387801 0.0129 BFGS: 2051 21:34:59 -353.386884 0.0049 BFGS: 2052 21:35:00 -353.386258 0.0050 BFGS: 2053 21:35:00 -353.386263 0.0040 BFGS: 2054 21:35:00 -353.387801 0.0129 BFGS: 2055 21:35:00 -353.386884 0.0049 BFGS: 2056 21:35:00 -353.386258 0.0050 BFGS: 2057 21:35:01 -353.386263 0.0040 BFGS: 2058 21:35:01 -353.387801 0.0129 BFGS: 2059 21:35:01 -353.386884 0.0049 BFGS: 2060 21:35:01 -353.386258 0.0050 BFGS: 2061 21:35:01 -353.386263 0.0040 BFGS: 2062 21:35:02 -353.387801 0.0129 BFGS: 2063 21:35:03 -353.386884 0.0049 BFGS: 2064 21:35:04 -353.386258 0.0050 BFGS: 2065 21:35:04 -353.386263 0.0040 BFGS: 2066 21:35:05 -353.387801 0.0129 BFGS: 2067 21:35:05 -353.386884 0.0049 BFGS: 2068 21:35:06 -353.386258 0.0050 BFGS: 2069 21:35:06 -353.386263 0.0040 BFGS: 2070 21:35:07 -353.387801 0.0129 BFGS: 2071 21:35:08 -353.386884 0.0049 BFGS: 2072 21:35:08 -353.386258 0.0050 BFGS: 2073 21:35:09 -353.386263 0.0040 BFGS: 2074 21:35:10 -353.387801 0.0129 BFGS: 2075 21:35:11 -353.386884 0.0049 BFGS: 2076 21:35:11 -353.386258 0.0050 BFGS: 2077 21:35:12 -353.386263 0.0040 BFGS: 2078 21:35:12 -353.387801 0.0129 BFGS: 2079 21:35:13 -353.386884 0.0049 BFGS: 2080 21:35:13 -353.386258 0.0050 BFGS: 2081 21:35:14 -353.386263 0.0040 BFGS: 2082 21:35:15 -353.387801 0.0129 BFGS: 2083 21:35:15 -353.386884 0.0049 BFGS: 2084 21:35:16 -353.386258 0.0050 BFGS: 2085 21:35:17 -353.386263 0.0040 BFGS: 2086 21:35:18 -353.387801 0.0129 BFGS: 2087 21:35:19 -353.386884 0.0049 BFGS: 2088 21:35:19 -353.386258 0.0050 BFGS: 2089 21:35:20 -353.386263 0.0040 BFGS: 2090 21:35:21 -353.387801 0.0129 BFGS: 2091 21:35:21 -353.386884 0.0049 BFGS: 2092 21:35:22 -353.386258 0.0050 BFGS: 2093 21:35:23 -353.386263 0.0040 BFGS: 2094 21:35:24 -353.387801 0.0129 BFGS: 2095 21:35:25 -353.386884 0.0049 BFGS: 2096 21:35:25 -353.386258 0.0050 BFGS: 2097 21:35:26 -353.386263 0.0040 BFGS: 2098 21:35:27 -353.387801 0.0129 BFGS: 2099 21:35:27 -353.386884 0.0049 BFGS: 2100 21:35:28 -353.386258 0.0050 BFGS: 2101 21:35:29 -353.386263 0.0040 BFGS: 2102 21:35:30 -353.387801 0.0129 BFGS: 2103 21:35:31 -353.386884 0.0049 BFGS: 2104 21:35:32 -353.386258 0.0050 BFGS: 2105 21:35:32 -353.386263 0.0040 BFGS: 2106 21:35:33 -353.387801 0.0129 BFGS: 2107 21:35:34 -353.386884 0.0049 BFGS: 2108 21:35:35 -353.386258 0.0050 BFGS: 2109 21:35:36 -353.386263 0.0040 BFGS: 2110 21:35:37 -353.387801 0.0129 BFGS: 2111 21:35:37 -353.386884 0.0049 BFGS: 2112 21:35:38 -353.386258 0.0050 BFGS: 2113 21:35:39 -353.386263 0.0040 BFGS: 2114 21:35:39 -353.387801 0.0129 BFGS: 2115 21:35:40 -353.386884 0.0049 BFGS: 2116 21:35:41 -353.386258 0.0050 BFGS: 2117 21:35:42 -353.386263 0.0040 BFGS: 2118 21:35:43 -353.387801 0.0129 BFGS: 2119 21:35:44 -353.386884 0.0049 BFGS: 2120 21:35:44 -353.386258 0.0050 BFGS: 2121 21:35:45 -353.386263 0.0040 BFGS: 2122 21:35:46 -353.387801 0.0129 BFGS: 2123 21:35:47 -353.386884 0.0049 BFGS: 2124 21:35:47 -353.386258 0.0050 BFGS: 2125 21:35:48 -353.386263 0.0040 BFGS: 2126 21:35:48 -353.387801 0.0129 BFGS: 2127 21:35:49 -353.386884 0.0049 BFGS: 2128 21:35:50 -353.386258 0.0050 BFGS: 2129 21:35:50 -353.386263 0.0040 BFGS: 2130 21:35:51 -353.387801 0.0129 BFGS: 2131 21:35:52 -353.386884 0.0049 BFGS: 2132 21:35:52 -353.386258 0.0050 BFGS: 2133 21:35:53 -353.386263 0.0040 BFGS: 2134 21:35:54 -353.387801 0.0129 BFGS: 2135 21:35:54 -353.386884 0.0049 BFGS: 2136 21:35:55 -353.386258 0.0050 BFGS: 2137 21:35:56 -353.386263 0.0040 BFGS: 2138 21:35:56 -353.387801 0.0129 BFGS: 2139 21:35:57 -353.386884 0.0049 BFGS: 2140 21:35:58 -353.386258 0.0050 BFGS: 2141 21:35:59 -353.386263 0.0040 BFGS: 2142 21:35:59 -353.387801 0.0129 BFGS: 2143 21:36:00 -353.386884 0.0049 BFGS: 2144 21:36:00 -353.386258 0.0050 BFGS: 2145 21:36:02 -353.386263 0.0040 BFGS: 2146 21:36:03 -353.387801 0.0129 BFGS: 2147 21:36:04 -353.386884 0.0049 BFGS: 2148 21:36:04 -353.386258 0.0050 BFGS: 2149 21:36:05 -353.386263 0.0040 BFGS: 2150 21:36:06 -353.387801 0.0129 BFGS: 2151 21:36:07 -353.386884 0.0049 BFGS: 2152 21:36:08 -353.386258 0.0050 BFGS: 2153 21:36:08 -353.386263 0.0040 BFGS: 2154 21:36:09 -353.387801 0.0129 BFGS: 2155 21:36:10 -353.386884 0.0049 BFGS: 2156 21:36:10 -353.386258 0.0050 BFGS: 2157 21:36:11 -353.386263 0.0040 BFGS: 2158 21:36:12 -353.387801 0.0129 BFGS: 2159 21:36:12 -353.386884 0.0049 BFGS: 2160 21:36:13 -353.386258 0.0050 BFGS: 2161 21:36:14 -353.386263 0.0040 BFGS: 2162 21:36:15 -353.387801 0.0129 BFGS: 2163 21:36:15 -353.386884 0.0049 BFGS: 2164 21:36:16 -353.386258 0.0050 BFGS: 2165 21:36:16 -353.386263 0.0040 BFGS: 2166 21:36:17 -353.387801 0.0129 BFGS: 2167 21:36:18 -353.386884 0.0049 BFGS: 2168 21:36:19 -353.386258 0.0050 BFGS: 2169 21:36:20 -353.386263 0.0040 BFGS: 2170 21:36:21 -353.387801 0.0129 BFGS: 2171 21:36:22 -353.386884 0.0049 BFGS: 2172 21:36:23 -353.386258 0.0050 BFGS: 2173 21:36:24 -353.386263 0.0040 BFGS: 2174 21:36:24 -353.387801 0.0129 BFGS: 2175 21:36:25 -353.386884 0.0049 BFGS: 2176 21:36:25 -353.386258 0.0050 BFGS: 2177 21:36:26 -353.386263 0.0040 BFGS: 2178 21:36:27 -353.387801 0.0129 BFGS: 2179 21:36:28 -353.386884 0.0049 BFGS: 2180 21:36:29 -353.386258 0.0050 BFGS: 2181 21:36:29 -353.386263 0.0040 BFGS: 2182 21:36:30 -353.387801 0.0129 BFGS: 2183 21:36:31 -353.386884 0.0049 BFGS: 2184 21:36:31 -353.386258 0.0050 BFGS: 2185 21:36:32 -353.386263 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22:41:30 -353.387801 0.0129 BFGS: 8179 22:41:30 -353.386884 0.0049 BFGS: 8180 22:41:31 -353.386258 0.0050 BFGS: 8181 22:41:32 -353.386263 0.0040 BFGS: 8182 22:41:32 -353.387801 0.0129 BFGS: 8183 22:41:33 -353.386884 0.0049 BFGS: 8184 22:41:34 -353.386258 0.0050 BFGS: 8185 22:41:35 -353.386263 0.0040 BFGS: 8186 22:41:36 -353.387801 0.0129 BFGS: 8187 22:41:36 -353.386884 0.0049 BFGS: 8188 22:41:37 -353.386258 0.0050 BFGS: 8189 22:41:38 -353.386263 0.0040 BFGS: 8190 22:41:38 -353.387801 0.0129 BFGS: 8191 22:41:39 -353.386884 0.0049 BFGS: 8192 22:41:40 -353.386258 0.0050 BFGS: 8193 22:41:40 -353.386263 0.0040 BFGS: 8194 22:41:41 -353.387801 0.0129 BFGS: 8195 22:41:41 -353.386884 0.0049 BFGS: 8196 22:41:42 -353.386258 0.0050 BFGS: 8197 22:41:43 -353.386263 0.0040 BFGS: 8198 22:41:44 -353.387801 0.0129 BFGS: 8199 22:41:45 -353.386884 0.0049 BFGS: 8200 22:41:45 -353.386258 0.0050 BFGS: 8201 22:41:46 -353.386263 0.0040 BFGS: 8202 22:41:46 -353.387801 0.0129 BFGS: 8203 22:41:47 -353.386884 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22:42:04 -353.386263 0.0040 BFGS: 8230 22:42:04 -353.387801 0.0129 BFGS: 8231 22:42:05 -353.386884 0.0049 BFGS: 8232 22:42:05 -353.386258 0.0050 BFGS: 8233 22:42:06 -353.386263 0.0040 BFGS: 8234 22:42:07 -353.387801 0.0129 BFGS: 8235 22:42:07 -353.386884 0.0049 BFGS: 8236 22:42:08 -353.386258 0.0050 BFGS: 8237 22:42:08 -353.386263 0.0040 BFGS: 8238 22:42:09 -353.387801 0.0129 BFGS: 8239 22:42:10 -353.386884 0.0049 BFGS: 8240 22:42:10 -353.386258 0.0050 BFGS: 8241 22:42:11 -353.386263 0.0040 BFGS: 8242 22:42:12 -353.387801 0.0129 BFGS: 8243 22:42:12 -353.386884 0.0049 BFGS: 8244 22:42:13 -353.386258 0.0050 BFGS: 8245 22:42:13 -353.386263 0.0040 BFGS: 8246 22:42:14 -353.387801 0.0129 BFGS: 8247 22:42:14 -353.386884 0.0049 BFGS: 8248 22:42:14 -353.386258 0.0050 BFGS: 8249 22:42:15 -353.386263 0.0040 BFGS: 8250 22:42:16 -353.387801 0.0129 BFGS: 8251 22:42:16 -353.386884 0.0049 BFGS: 8252 22:42:17 -353.386258 0.0050 BFGS: 8253 22:42:17 -353.386263 0.0040 BFGS: 8254 22:42:18 -353.387801 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22:42:36 -353.386258 0.0050 BFGS: 8281 22:42:37 -353.386263 0.0040 BFGS: 8282 22:42:38 -353.387801 0.0129 BFGS: 8283 22:42:39 -353.386884 0.0049 BFGS: 8284 22:42:40 -353.386258 0.0050 BFGS: 8285 22:42:41 -353.386263 0.0040 BFGS: 8286 22:42:41 -353.387801 0.0129 BFGS: 8287 22:42:42 -353.386884 0.0049 BFGS: 8288 22:42:43 -353.386258 0.0050 BFGS: 8289 22:42:44 -353.386263 0.0040 BFGS: 8290 22:42:44 -353.387801 0.0129 BFGS: 8291 22:42:45 -353.386884 0.0049 BFGS: 8292 22:42:45 -353.386258 0.0050 BFGS: 8293 22:42:45 -353.386263 0.0040 BFGS: 8294 22:42:45 -353.387801 0.0129 BFGS: 8295 22:42:45 -353.386884 0.0049 BFGS: 8296 22:42:45 -353.386258 0.0050 BFGS: 8297 22:42:45 -353.386263 0.0040 BFGS: 8298 22:42:46 -353.387801 0.0129 BFGS: 8299 22:42:46 -353.386884 0.0049 BFGS: 8300 22:42:46 -353.386258 0.0050 BFGS: 8301 22:42:46 -353.386263 0.0040 BFGS: 8302 22:42:46 -353.387801 0.0129 BFGS: 8303 22:42:46 -353.386884 0.0049 BFGS: 8304 22:42:46 -353.386258 0.0050 BFGS: 8305 22:42:46 -353.386263 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22:57:49 -353.386263 0.0040 BFGS: 9862 22:57:49 -353.387801 0.0129 BFGS: 9863 22:57:50 -353.386884 0.0049 BFGS: 9864 22:57:50 -353.386258 0.0050 BFGS: 9865 22:57:51 -353.386263 0.0040 BFGS: 9866 22:57:51 -353.387801 0.0129 BFGS: 9867 22:57:52 -353.386884 0.0049 BFGS: 9868 22:57:52 -353.386258 0.0050 BFGS: 9869 22:57:53 -353.386263 0.0040 BFGS: 9870 22:57:53 -353.387801 0.0129 BFGS: 9871 22:57:53 -353.386884 0.0049 BFGS: 9872 22:57:53 -353.386258 0.0050 BFGS: 9873 22:57:53 -353.386263 0.0040 BFGS: 9874 22:57:54 -353.387801 0.0129 BFGS: 9875 22:57:54 -353.386884 0.0049 BFGS: 9876 22:57:55 -353.386258 0.0050 BFGS: 9877 22:57:55 -353.386263 0.0040 BFGS: 9878 22:57:55 -353.387801 0.0129 BFGS: 9879 22:57:55 -353.386884 0.0049 BFGS: 9880 22:57:56 -353.386258 0.0050 BFGS: 9881 22:57:56 -353.386263 0.0040 BFGS: 9882 22:57:56 -353.387801 0.0129 BFGS: 9883 22:57:56 -353.386884 0.0049 BFGS: 9884 22:57:56 -353.386258 0.0050 BFGS: 9885 22:57:56 -353.386263 0.0040 BFGS: 9886 22:57:56 -353.387801 0.0129 BFGS: 9887 22:57:57 -353.386884 0.0049 BFGS: 9888 22:57:57 -353.386258 0.0050 BFGS: 9889 22:57:57 -353.386263 0.0040 BFGS: 9890 22:57:57 -353.387801 0.0129 BFGS: 9891 22:57:57 -353.386884 0.0049 BFGS: 9892 22:57:57 -353.386258 0.0050 BFGS: 9893 22:57:58 -353.386263 0.0040 BFGS: 9894 22:57:58 -353.387801 0.0129 BFGS: 9895 22:57:58 -353.386884 0.0049 BFGS: 9896 22:57:58 -353.386258 0.0050 BFGS: 9897 22:57:59 -353.386263 0.0040 BFGS: 9898 22:57:59 -353.387801 0.0129 BFGS: 9899 22:57:59 -353.386884 0.0049 BFGS: 9900 22:57:59 -353.386258 0.0050 BFGS: 9901 22:58:00 -353.386263 0.0040 BFGS: 9902 22:58:00 -353.387801 0.0129 BFGS: 9903 22:58:00 -353.386884 0.0049 BFGS: 9904 22:58:00 -353.386258 0.0050 BFGS: 9905 22:58:01 -353.386263 0.0040 BFGS: 9906 22:58:01 -353.387801 0.0129 BFGS: 9907 22:58:02 -353.386884 0.0049 BFGS: 9908 22:58:02 -353.386258 0.0050 BFGS: 9909 22:58:03 -353.386263 0.0040 BFGS: 9910 22:58:03 -353.387801 0.0129 BFGS: 9911 22:58:04 -353.386884 0.0049 BFGS: 9912 22:58:04 -353.386258 0.0050 BFGS: 9913 22:58:04 -353.386263 0.0040 BFGS: 9914 22:58:04 -353.387801 0.0129 BFGS: 9915 22:58:05 -353.386884 0.0049 BFGS: 9916 22:58:05 -353.386258 0.0050 BFGS: 9917 22:58:06 -353.386263 0.0040 BFGS: 9918 22:58:07 -353.387801 0.0129 BFGS: 9919 22:58:07 -353.386884 0.0049 BFGS: 9920 22:58:08 -353.386258 0.0050 BFGS: 9921 22:58:08 -353.386263 0.0040 BFGS: 9922 22:58:09 -353.387801 0.0129 BFGS: 9923 22:58:09 -353.386884 0.0049 BFGS: 9924 22:58:10 -353.386258 0.0050 BFGS: 9925 22:58:10 -353.386263 0.0040 BFGS: 9926 22:58:11 -353.387801 0.0129 BFGS: 9927 22:58:11 -353.386884 0.0049 BFGS: 9928 22:58:12 -353.386258 0.0050 BFGS: 9929 22:58:13 -353.386263 0.0040 BFGS: 9930 22:58:14 -353.387801 0.0129 BFGS: 9931 22:58:14 -353.386884 0.0049 BFGS: 9932 22:58:15 -353.386258 0.0050 BFGS: 9933 22:58:16 -353.386263 0.0040 BFGS: 9934 22:58:16 -353.387801 0.0129 BFGS: 9935 22:58:18 -353.386884 0.0049 BFGS: 9936 22:58:18 -353.386258 0.0050 BFGS: 9937 22:58:19 -353.386263 0.0040 BFGS: 9938 22:58:19 -353.387801 0.0129 BFGS: 9939 22:58:20 -353.386884 0.0049 BFGS: 9940 22:58:20 -353.386258 0.0050 BFGS: 9941 22:58:21 -353.386263 0.0040 BFGS: 9942 22:58:22 -353.387801 0.0129 BFGS: 9943 22:58:23 -353.386884 0.0049 BFGS: 9944 22:58:23 -353.386258 0.0050 BFGS: 9945 22:58:24 -353.386263 0.0040 BFGS: 9946 22:58:25 -353.387801 0.0129 BFGS: 9947 22:58:25 -353.386884 0.0049 BFGS: 9948 22:58:26 -353.386258 0.0050 BFGS: 9949 22:58:26 -353.386263 0.0040 BFGS: 9950 22:58:27 -353.387801 0.0129 BFGS: 9951 22:58:27 -353.386884 0.0049 BFGS: 9952 22:58:28 -353.386258 0.0050 BFGS: 9953 22:58:28 -353.386263 0.0040 BFGS: 9954 22:58:29 -353.387801 0.0129 BFGS: 9955 22:58:30 -353.386884 0.0049 BFGS: 9956 22:58:30 -353.386258 0.0050 BFGS: 9957 22:58:31 -353.386263 0.0040 BFGS: 9958 22:58:31 -353.387801 0.0129 BFGS: 9959 22:58:32 -353.386884 0.0049 BFGS: 9960 22:58:32 -353.386258 0.0050 BFGS: 9961 22:58:32 -353.386263 0.0040 BFGS: 9962 22:58:33 -353.387801 0.0129 BFGS: 9963 22:58:33 -353.386884 0.0049 BFGS: 9964 22:58:33 -353.386258 0.0050 BFGS: 9965 22:58:34 -353.386263 0.0040 BFGS: 9966 22:58:35 -353.387801 0.0129 BFGS: 9967 22:58:35 -353.386884 0.0049 BFGS: 9968 22:58:35 -353.386258 0.0050 BFGS: 9969 22:58:36 -353.386263 0.0040 BFGS: 9970 22:58:36 -353.387801 0.0129 BFGS: 9971 22:58:37 -353.386884 0.0049 BFGS: 9972 22:58:38 -353.386258 0.0050 BFGS: 9973 22:58:38 -353.386263 0.0040 BFGS: 9974 22:58:39 -353.387801 0.0129 BFGS: 9975 22:58:39 -353.386884 0.0049 BFGS: 9976 22:58:40 -353.386258 0.0050 BFGS: 9977 22:58:40 -353.386263 0.0040 BFGS: 9978 22:58:41 -353.387801 0.0129 BFGS: 9979 22:58:41 -353.386884 0.0049 BFGS: 9980 22:58:41 -353.386258 0.0050 BFGS: 9981 22:58:42 -353.386263 0.0040 BFGS: 9982 22:58:42 -353.387801 0.0129 BFGS: 9983 22:58:43 -353.386884 0.0049 BFGS: 9984 22:58:44 -353.386258 0.0050 BFGS: 9985 22:58:44 -353.386263 0.0040 BFGS: 9986 22:58:45 -353.387801 0.0129 BFGS: 9987 22:58:45 -353.386884 0.0049 BFGS: 9988 22:58:46 -353.386258 0.0050 BFGS: 9989 22:58:46 -353.386263 0.0040 BFGS: 9990 22:58:47 -353.387801 0.0129 BFGS: 9991 22:58:47 -353.386884 0.0049 BFGS: 9992 22:58:48 -353.386258 0.0050 BFGS: 9993 22:58:48 -353.386263 0.0040 BFGS: 9994 22:58:49 -353.387801 0.0129 BFGS: 9995 22:58:49 -353.386884 0.0049 BFGS: 9996 22:58:50 -353.386258 0.0050 BFGS: 9997 22:58:50 -353.386263 0.0040 BFGS: 9998 22:58:50 -353.387801 0.0129 BFGS: 9999 22:58:51 -353.386884 0.0049 BFGS: 10000 22:58:52 -353.386258 0.0050 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.0038563974582161574 eV/Angstrom Maximum stress component: 7.176636250598076e-05 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', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[3.16588082e-31 3.95396654e-02 2.50000000e-01] [5.00000000e-01 4.60460335e-01 7.50000000e-01] [0.00000000e+00 9.60460335e-01 7.50000000e-01] [5.00000000e-01 5.39539665e-01 2.50000000e-01] [3.15803719e-01 7.01245592e-01 3.24485094e-01] [1.84196281e-01 7.98754408e-01 8.24485094e-01] [6.84196281e-01 7.01245592e-01 1.75514906e-01] [8.15803719e-01 7.98754408e-01 6.75514906e-01] [6.84196281e-01 2.98754408e-01 6.75514906e-01] [8.15803719e-01 2.01245592e-01 1.75514906e-01] [3.15803719e-01 2.98754408e-01 8.24485094e-01] [1.84196281e-01 2.01245592e-01 3.24485094e-01] [3.82732411e-01 9.09066469e-01 3.53955100e-01] [1.17267589e-01 5.90933531e-01 8.53955100e-01] [6.17267589e-01 9.09066469e-01 1.46044900e-01] [8.82732411e-01 5.90933531e-01 6.46044900e-01] [6.17267589e-01 9.09335312e-02 6.46044900e-01] [8.82732411e-01 4.09066469e-01 1.46044900e-01] [3.82732411e-01 9.09335312e-02 8.53955100e-01] [1.17267589e-01 4.09066469e-01 3.53955100e-01] [4.69997349e-01 4.67708235e-01 3.49761623e-01] [3.00026508e-02 3.22917645e-02 8.49761623e-01] [5.30002651e-01 4.67708235e-01 1.50238377e-01] [9.69997349e-01 3.22917645e-02 6.50238377e-01] [5.30002651e-01 5.32291765e-01 6.50238377e-01] [9.69997349e-01 9.67708235e-01 1.50238377e-01] [4.69997349e-01 5.32291765e-01 8.49761623e-01] [3.00026508e-02 9.67708235e-01 3.49761623e-01] [3.69888360e-01 6.95444301e-01 4.66562155e-01] [1.30111640e-01 8.04555699e-01 9.66562155e-01] [6.30111640e-01 6.95444301e-01 3.34378446e-02] [8.69888360e-01 8.04555699e-01 5.33437845e-01] [6.30111640e-01 3.04555699e-01 5.33437845e-01] [8.69888360e-01 1.95444301e-01 3.34378446e-02] [3.69888360e-01 3.04555699e-01 9.66562155e-01] [1.30111640e-01 1.95444301e-01 4.66562155e-01] [2.02027829e-01 6.80733527e-01 3.95734084e-01] [2.97972171e-01 8.19266473e-01 8.95734084e-01] [7.97972171e-01 6.80733527e-01 1.04265916e-01] [7.02027829e-01 8.19266473e-01 6.04265916e-01] [7.97972171e-01 3.19266473e-01 6.04265916e-01] [7.02027829e-01 1.80733527e-01 1.04265916e-01] [2.02027829e-01 3.19266473e-01 8.95734084e-01] [2.97972171e-01 1.80733527e-01 3.95734084e-01] [4.18091362e-01 8.81456497e-01 4.97862599e-01] [8.19086375e-02 6.18543503e-01 9.97862599e-01] [5.81908638e-01 8.81456497e-01 2.13740060e-03] [9.18091362e-01 6.18543503e-01 5.02137401e-01] [5.81908638e-01 1.18543503e-01 5.02137401e-01] [9.18091362e-01 3.81456497e-01 2.13740060e-03] [4.18091362e-01 1.18543503e-01 9.97862599e-01] [8.19086375e-02 3.81456497e-01 4.97862599e-01] [2.94258046e-01 9.64002821e-01 4.28889955e-01] [2.05741954e-01 5.35997179e-01 9.28889955e-01] [7.05741954e-01 9.64002821e-01 7.11100447e-02] [7.94258046e-01 5.35997179e-01 5.71110045e-01] [7.05741954e-01 3.59971792e-02 5.71110045e-01] [7.94258046e-01 4.64002821e-01 7.11100447e-02] [2.94258046e-01 3.59971792e-02 9.28889955e-01] [2.05741954e-01 4.64002821e-01 4.28889955e-01] [3.52116255e-31 4.75174352e-01 2.50000000e-01] [5.00000000e-01 2.48256479e-02 7.50000000e-01] [0.00000000e+00 5.24825648e-01 7.50000000e-01] [5.00000000e-01 9.75174352e-01 2.50000000e-01] [3.69397578e-01 6.14023430e-01 1.89842356e-01] [1.30602422e-01 8.85976570e-01 6.89842356e-01] [6.30602422e-01 6.14023430e-01 3.10157644e-01] [8.69397578e-01 8.85976570e-01 8.10157644e-01] [6.30602422e-01 3.85976570e-01 8.10157644e-01] [8.69397578e-01 1.14023430e-01 3.10157644e-01] [3.69397578e-01 3.85976570e-01 6.89842356e-01] [1.30602422e-01 1.14023430e-01 1.89842356e-01] [3.21502250e-01 8.15829028e-01 2.35341665e-01] [1.78497750e-01 6.84170972e-01 7.35341665e-01] [6.78497750e-01 8.15829028e-01 2.64658335e-01] [8.21502250e-01 6.84170972e-01 7.64658335e-01] [6.78497750e-01 1.84170972e-01 7.64658335e-01] [8.21502250e-01 3.15829028e-01 2.64658335e-01] [3.21502250e-01 1.84170972e-01 7.35341665e-01] [1.78497750e-01 3.15829028e-01 2.35341665e-01]] cellpar = Cell([[8.410888829533896, -1.695306121904979e-36, 0.0], [-1.1075894504123437e-36, 11.28594121379893, 0.0], [0.0, 0.0, 7.083983983852908]]) forces = [[-1.95788087e-45 1.99501073e-08 -1.43059917e-27] [ 1.95788087e-45 -1.99501073e-08 -7.15299586e-28] [ 1.95788087e-45 -1.99501073e-08 7.15299586e-28] [-1.95788087e-45 1.99501073e-08 1.43059917e-27] [-7.50173060e-07 -2.59838652e-05 1.22750711e-05] [ 7.50173060e-07 2.59838652e-05 1.22750711e-05] [ 7.50173060e-07 -2.59838652e-05 -1.22750711e-05] [-7.50173060e-07 2.59838652e-05 -1.22750711e-05] [ 7.50173060e-07 2.59838652e-05 -1.22750711e-05] [-7.50173060e-07 -2.59838652e-05 -1.22750711e-05] [-7.50173060e-07 2.59838652e-05 1.22750711e-05] [ 7.50173060e-07 -2.59838652e-05 1.22750711e-05] [ 3.33540431e-04 2.30164713e-04 -2.41656785e-04] [-3.33540431e-04 -2.30164713e-04 -2.41656785e-04] [-3.33540431e-04 2.30164713e-04 2.41656785e-04] [ 3.33540431e-04 -2.30164713e-04 2.41656785e-04] [-3.33540431e-04 -2.30164713e-04 2.41656785e-04] [ 3.33540431e-04 2.30164713e-04 2.41656785e-04] [ 3.33540431e-04 -2.30164713e-04 -2.41656785e-04] [-3.33540431e-04 2.30164713e-04 -2.41656785e-04] [ 1.13166680e-07 2.86775729e-08 -9.78640962e-08] [-1.13166680e-07 -2.86775729e-08 -9.78640962e-08] [-1.13166680e-07 2.86775729e-08 9.78640962e-08] [ 1.13166680e-07 -2.86775729e-08 9.78640962e-08] [-1.13166680e-07 -2.86775729e-08 9.78640962e-08] [ 1.13166680e-07 2.86775729e-08 9.78640962e-08] [ 1.13166680e-07 -2.86775729e-08 -9.78640962e-08] [-1.13166680e-07 2.86775729e-08 -9.78640962e-08] [-6.89625001e-08 -4.74539827e-07 3.66651780e-07] [ 6.89625001e-08 4.74539827e-07 3.66651780e-07] [ 6.89625001e-08 -4.74539827e-07 -3.66651780e-07] [-6.89625001e-08 4.74539827e-07 -3.66651780e-07] [ 6.89625001e-08 4.74539827e-07 -3.66651780e-07] [-6.89625001e-08 -4.74539827e-07 -3.66651780e-07] [-6.89625001e-08 4.74539827e-07 3.66651780e-07] [ 6.89625001e-08 -4.74539827e-07 3.66651780e-07] [-1.26353496e-07 -7.40555485e-07 3.24108121e-07] [ 1.26353496e-07 7.40555485e-07 3.24108121e-07] [ 1.26353496e-07 -7.40555485e-07 -3.24108121e-07] [-1.26353496e-07 7.40555485e-07 -3.24108121e-07] [ 1.26353496e-07 7.40555485e-07 -3.24108121e-07] [-1.26353496e-07 -7.40555485e-07 -3.24108121e-07] [-1.26353496e-07 7.40555485e-07 3.24108121e-07] [ 1.26353496e-07 -7.40555485e-07 3.24108121e-07] [ 5.26899247e-04 -5.26372662e-04 2.85062760e-04] [-5.26899247e-04 5.26372662e-04 2.85062760e-04] [-5.26899247e-04 -5.26372662e-04 -2.85062760e-04] [ 5.26899247e-04 5.26372662e-04 -2.85062760e-04] [-5.26899247e-04 5.26372662e-04 -2.85062760e-04] [ 5.26899247e-04 -5.26372662e-04 -2.85062760e-04] [ 5.26899247e-04 5.26372662e-04 2.85062760e-04] [-5.26899247e-04 -5.26372662e-04 2.85062760e-04] [-1.67022616e-04 -3.41178012e-03 -3.35420967e-03] [ 1.67022616e-04 3.41178012e-03 -3.35420967e-03] [ 1.67022616e-04 -3.41178012e-03 3.35420967e-03] [-1.67022616e-04 3.41178012e-03 3.35420967e-03] [ 1.67022616e-04 3.41178012e-03 3.35420967e-03] [-1.67022616e-04 -3.41178012e-03 3.35420967e-03] [-1.67022616e-04 3.41178012e-03 -3.35420967e-03] [ 1.67022616e-04 -3.41178012e-03 -3.35420967e-03] [ 2.36036887e-41 -2.40513164e-04 0.00000000e+00] [-2.36036887e-41 2.40513164e-04 0.00000000e+00] [-2.36036887e-41 2.40513164e-04 0.00000000e+00] [ 2.36036887e-41 -2.40513164e-04 0.00000000e+00] [ 2.33890173e-07 -9.46135361e-07 2.94479121e-07] [-2.33890173e-07 9.46135361e-07 2.94479121e-07] [-2.33890173e-07 -9.46135361e-07 -2.94479121e-07] [ 2.33890173e-07 9.46135361e-07 -2.94479121e-07] [-2.33890173e-07 9.46135361e-07 -2.94479121e-07] [ 2.33890173e-07 -9.46135361e-07 -2.94479121e-07] [ 2.33890173e-07 9.46135361e-07 2.94479121e-07] [-2.33890173e-07 -9.46135361e-07 2.94479121e-07] [-6.00097560e-04 3.85639746e-03 3.20049956e-03] [ 6.00097560e-04 -3.85639746e-03 3.20049956e-03] [ 6.00097560e-04 3.85639746e-03 -3.20049956e-03] [-6.00097560e-04 -3.85639746e-03 -3.20049956e-03] [ 6.00097560e-04 -3.85639746e-03 -3.20049956e-03] [-6.00097560e-04 3.85639746e-03 -3.20049956e-03] [-6.00097560e-04 -3.85639746e-03 3.20049956e-03] [ 6.00097560e-04 3.85639746e-03 3.20049956e-03]] stress = [-5.94419611e-06 7.17663625e-05 5.05932047e-05 0.00000000e+00 0.00000000e+00 8.31037758e-33] energy per atom = -4.369822106741694 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0