element(s): ['C', 'H', 'O'] AFLOW prototype label: AB3C3_mP28_14_e_3e_3e Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.1854', '0.79756624', '2.7941721', '119.4183', '0.0061710198', '0.067426981', '0.95103208', '0.78821568', '0.02597956', '0.78430239', '0.49668533', '0.72237993', '0.8415634', '0.25118796', '0.51283375', '0.85678433', '0.8027077', '0.94075202', '0.86214651', '0.19422499', '0.26657962', '0.96050157', '0.28742869', '0.6442878', '0.80720545'] model name: Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'H', 'H', 'H', 'O', 'O', 'O'] representative atom coordinates = [[0.10410686 0.06742698 0.05513894] [0.2196109 0.02597956 0.00391329] [0.81355853 0.72237993 0.65512193] [0.5376193 0.51283375 0.39440363] [0.07841468 0.94075202 0.94056119] [0.27322185 0.26657962 0.23372342] [0.67301779 0.6442878 0.48022324]] spacegroup = 14 cell = [[12.7676, 0, 0], [0, 4.1357, 0], [-11.98317429543, 0, 5.1257242771479]] ========================================= Step Time Energy fmax BFGS: 0 21:12:32 -87.685585 42.7969 BFGS: 1 21:12:33 -99.058741 16.3623 BFGS: 2 21:12:34 -106.736041 21.7978 BFGS: 3 21:12:35 -113.648744 23.8690 BFGS: 4 21:12:36 -118.220962 19.9185 BFGS: 5 21:12:36 -121.458046 18.8667 BFGS: 6 21:12:38 -124.144483 17.2756 BFGS: 7 21:12:38 -126.351121 14.7867 BFGS: 8 21:12:39 -127.817055 9.1189 BFGS: 9 21:12:40 -128.390437 2.8507 BFGS: 10 21:12:40 -128.757607 3.2001 BFGS: 11 21:12:40 -129.282239 3.6056 BFGS: 12 21:12:41 -129.519950 3.6553 BFGS: 13 21:12:42 -129.724413 3.0741 BFGS: 14 21:12:42 -129.979022 1.8370 BFGS: 15 21:12:43 -130.078721 2.5156 BFGS: 16 21:12:44 -130.191361 2.4324 BFGS: 17 21:12:44 -130.315310 2.6260 BFGS: 18 21:12:45 -130.386012 1.7628 BFGS: 19 21:12:46 -130.438587 0.8623 BFGS: 20 21:12:46 -130.485858 0.4594 BFGS: 21 21:12:47 -130.520481 0.5867 BFGS: 22 21:12:48 -130.549111 0.6335 BFGS: 23 21:12:49 -130.530914 0.6603 BFGS: 24 21:12:50 -130.540383 1.1305 BFGS: 25 21:12:51 -130.561780 0.4617 BFGS: 26 21:12:51 -130.573518 0.5182 BFGS: 27 21:12:52 -130.600392 0.4953 BFGS: 28 21:12:53 -130.626456 0.3049 BFGS: 29 21:12:54 -130.639484 0.2878 BFGS: 30 21:12:55 -130.647089 0.3134 BFGS: 31 21:12:56 -130.657884 0.3330 BFGS: 32 21:12:57 -130.665726 0.2966 BFGS: 33 21:12:57 -130.678144 0.2330 BFGS: 34 21:12:58 -130.690104 0.4467 BFGS: 35 21:12:59 -130.702195 0.5769 BFGS: 36 21:13:00 -130.704378 0.6626 BFGS: 37 21:13:01 -130.725017 0.7213 BFGS: 38 21:13:02 -130.736005 0.7650 BFGS: 39 21:13:02 -130.744495 0.7919 BFGS: 40 21:13:03 -130.822395 0.8092 BFGS: 41 21:13:04 -130.833986 0.8229 BFGS: 42 21:13:05 -130.843412 0.8511 BFGS: 43 21:13:06 -130.857203 0.8706 BFGS: 44 21:13:07 -130.871717 0.8873 BFGS: 45 21:13:07 -130.886483 0.8980 BFGS: 46 21:13:08 -130.901631 0.9036 BFGS: 47 21:13:09 -130.916729 0.9002 BFGS: 48 21:13:09 -130.934405 0.8883 BFGS: 49 21:13:10 -130.948810 0.8641 BFGS: 50 21:13:11 -130.963414 0.8325 BFGS: 51 21:13:12 -130.977361 0.7818 BFGS: 52 21:13:13 -130.992404 0.7260 BFGS: 53 21:13:14 -131.005868 0.6462 BFGS: 54 21:13:15 -131.020731 0.5649 BFGS: 55 21:13:16 -131.036152 0.5363 BFGS: 56 21:13:17 -131.053577 0.4907 BFGS: 57 21:13:18 -131.068369 0.4491 BFGS: 58 21:13:19 -131.090308 0.3968 BFGS: 59 21:13:20 -131.104955 0.5179 BFGS: 60 21:13:21 -131.129468 0.4544 BFGS: 61 21:13:22 -131.143544 0.2669 BFGS: 62 21:13:23 -131.165610 0.3156 BFGS: 63 21:13:24 -131.172699 0.4046 BFGS: 64 21:13:25 -131.181958 0.4256 BFGS: 65 21:13:26 -131.188157 0.4030 BFGS: 66 21:13:26 -131.197246 0.3559 BFGS: 67 21:13:27 -131.202990 0.3092 BFGS: 68 21:13:28 -131.212584 0.3272 BFGS: 69 21:13:29 -131.218047 0.3927 BFGS: 70 21:13:29 -131.224236 0.4630 BFGS: 71 21:13:30 -131.231019 0.5157 BFGS: 72 21:13:31 -131.238648 0.5593 BFGS: 73 21:13:32 -131.246979 0.5858 BFGS: 74 21:13:33 -131.255956 0.5990 BFGS: 75 21:13:33 -131.265329 0.5963 BFGS: 76 21:13:34 -131.274910 0.5809 BFGS: 77 21:13:35 -131.284453 0.5530 BFGS: 78 21:13:36 -131.307667 0.5531 BFGS: 79 21:13:37 -131.315867 0.5422 BFGS: 80 21:13:38 -131.324778 0.5426 BFGS: 81 21:13:39 -131.332725 0.5161 BFGS: 82 21:13:40 -131.344113 0.5103 BFGS: 83 21:13:41 -131.378690 0.4753 BFGS: 84 21:13:42 -131.385682 0.4445 BFGS: 85 21:13:43 -131.393463 0.4320 BFGS: 86 21:13:44 -131.400768 0.4087 BFGS: 87 21:13:45 -131.425477 0.4003 BFGS: 88 21:13:46 -131.432279 0.3775 BFGS: 89 21:13:46 -131.453083 0.3599 BFGS: 90 21:13:47 -131.460166 0.3410 BFGS: 91 21:13:48 -131.468653 0.3118 BFGS: 92 21:13:49 -131.476828 0.2882 BFGS: 93 21:13:49 -131.486541 0.2778 BFGS: 94 21:13:50 -131.498685 0.2676 BFGS: 95 21:13:51 -131.510623 0.2614 BFGS: 96 21:13:52 -131.520609 0.3189 BFGS: 97 21:13:53 -131.532434 0.2681 BFGS: 98 21:13:53 -131.540127 0.3608 BFGS: 99 21:13:54 -131.547033 0.2757 BFGS: 100 21:13:55 -131.554826 0.2130 BFGS: 101 21:13:56 -131.560555 0.1902 BFGS: 102 21:13:56 -131.563210 0.0888 BFGS: 103 21:13:58 -131.567301 0.1391 BFGS: 104 21:13:59 -131.571065 0.1763 BFGS: 105 21:13:59 -131.573643 0.1544 BFGS: 106 21:14:00 -131.576285 0.1952 BFGS: 107 21:14:01 -131.578993 0.2109 BFGS: 108 21:14:02 -131.590462 0.2255 BFGS: 109 21:14:03 -131.604466 0.2225 BFGS: 110 21:14:04 -131.607436 0.2308 BFGS: 111 21:14:06 -131.621236 0.2280 BFGS: 112 21:14:06 -131.624605 0.1743 BFGS: 113 21:14:07 -131.637442 0.1573 BFGS: 114 21:14:09 -131.632632 0.1512 BFGS: 115 21:14:10 -131.632820 0.1261 BFGS: 116 21:14:10 -131.633291 0.1157 BFGS: 117 21:14:11 -131.634676 0.0913 BFGS: 118 21:14:12 -131.635473 0.0820 BFGS: 119 21:14:13 -131.637498 0.0887 BFGS: 120 21:14:14 -131.640028 0.1205 BFGS: 121 21:14:16 -131.657749 0.1487 BFGS: 122 21:14:17 -131.661311 0.1593 BFGS: 123 21:14:18 -131.665269 0.1576 BFGS: 124 21:14:19 -131.672674 0.1460 BFGS: 125 21:14:19 -131.676245 0.1358 BFGS: 126 21:14:21 -131.679627 0.1200 BFGS: 127 21:14:23 -131.689603 0.1108 BFGS: 128 21:14:23 -131.691971 0.1093 BFGS: 129 21:14:24 -131.694249 0.1086 BFGS: 130 21:14:25 -131.696386 0.1119 BFGS: 131 21:14:27 -131.698394 0.1167 BFGS: 132 21:14:27 -131.700352 0.1224 BFGS: 133 21:14:28 -131.707930 0.1278 BFGS: 134 21:14:28 -131.709768 0.1322 BFGS: 135 21:14:29 -131.711850 0.1345 BFGS: 136 21:14:30 -131.714172 0.1382 BFGS: 137 21:14:31 -131.716704 0.1483 BFGS: 138 21:14:32 -131.719430 0.1563 BFGS: 139 21:14:33 -131.722325 0.1620 BFGS: 140 21:14:34 -131.722376 0.1655 BFGS: 141 21:14:35 -131.725551 0.1665 BFGS: 142 21:14:36 -131.732781 0.1665 BFGS: 143 21:14:36 -131.740500 0.1633 BFGS: 144 21:14:37 -131.745948 0.1596 BFGS: 145 21:14:38 -131.749040 0.1552 BFGS: 146 21:14:39 -131.752138 0.1535 BFGS: 147 21:14:39 -131.755196 0.1573 BFGS: 148 21:14:40 -131.760691 0.1604 BFGS: 149 21:14:40 -131.763429 0.1631 BFGS: 150 21:14:41 -131.768490 0.1658 BFGS: 151 21:14:42 -131.770950 0.1663 BFGS: 152 21:14:43 -131.773503 0.1689 BFGS: 153 21:14:45 -131.776023 0.1689 BFGS: 154 21:14:45 -131.778620 0.1701 BFGS: 155 21:14:46 -131.785209 0.1677 BFGS: 156 21:14:47 -131.787651 0.1767 BFGS: 157 21:14:48 -131.790053 0.1652 BFGS: 158 21:14:49 -131.781242 0.1900 BFGS: 159 21:14:50 -131.784119 0.2015 BFGS: 160 21:14:51 -131.798849 0.2187 BFGS: 161 21:14:52 -131.808692 0.2318 BFGS: 162 21:14:53 -131.812213 0.2545 BFGS: 163 21:14:55 -131.824891 0.2667 BFGS: 164 21:14:56 -131.827401 0.2788 BFGS: 165 21:14:57 -131.830317 0.2931 BFGS: 166 21:14:58 -131.834991 0.3059 BFGS: 167 21:14:59 -131.838406 0.3113 BFGS: 168 21:15:00 -131.842003 0.3250 BFGS: 169 21:15:01 -131.845855 0.3260 BFGS: 170 21:15:02 -131.838697 0.3348 BFGS: 171 21:15:04 -131.842711 0.3306 BFGS: 172 21:15:05 -131.842311 0.3338 BFGS: 173 21:15:06 -131.846212 0.3228 BFGS: 174 21:15:07 -131.845249 0.3166 BFGS: 175 21:15:08 -131.852403 0.3028 BFGS: 176 21:15:09 -131.860292 0.2900 BFGS: 177 21:15:09 -131.862972 0.2796 BFGS: 178 21:15:10 -131.864114 0.2495 BFGS: 179 21:15:11 -131.867004 0.2409 BFGS: 180 21:15:12 -131.870295 0.2018 BFGS: 181 21:15:13 -131.874385 0.1853 BFGS: 182 21:15:13 -131.880146 0.4622 BFGS: 183 21:15:14 -131.886247 0.3869 BFGS: 184 21:15:15 -131.882680 0.2887 BFGS: 185 21:15:16 -131.890175 0.2963 BFGS: 186 21:15:16 -131.897658 0.3190 BFGS: 187 21:15:18 -131.913280 0.3420 BFGS: 188 21:15:18 -131.931935 0.3688 BFGS: 189 21:15:19 -131.938036 0.2708 BFGS: 190 21:15:20 -131.945113 0.3058 BFGS: 191 21:15:21 -131.953585 0.1695 BFGS: 192 21:15:22 -131.960495 0.2550 BFGS: 193 21:15:23 -131.961268 0.3511 BFGS: 194 21:15:23 -131.965826 0.2017 BFGS: 195 21:15:24 -131.969774 0.1874 BFGS: 196 21:15:25 -131.970411 0.2089 BFGS: 197 21:15:26 -131.973488 0.3107 BFGS: 198 21:15:26 -131.975729 0.2422 BFGS: 199 21:15:26 -131.984259 0.4354 BFGS: 200 21:15:27 -131.989040 0.3764 BFGS: 201 21:15:28 -131.990464 0.1989 BFGS: 202 21:15:28 -131.994951 0.2320 BFGS: 203 21:15:29 -132.000472 0.2900 BFGS: 204 21:15:30 -132.011021 0.3425 BFGS: 205 21:15:31 -132.019311 0.4215 BFGS: 206 21:15:32 -132.026759 0.4626 BFGS: 207 21:15:33 -132.033199 0.5102 BFGS: 208 21:15:34 -132.039318 0.5254 BFGS: 209 21:15:35 -132.045154 0.5509 BFGS: 210 21:15:35 -132.050828 0.5453 BFGS: 211 21:15:36 -132.059664 0.5559 BFGS: 212 21:15:36 -132.072551 0.5554 BFGS: 213 21:15:37 -132.077405 0.5575 BFGS: 214 21:15:38 -132.079134 0.5363 BFGS: 215 21:15:39 -132.083530 0.0692 BFGS: 216 21:15:40 -132.084300 0.0896 BFGS: 217 21:15:41 -132.086139 0.6030 BFGS: 218 21:15:42 -132.091864 0.0907 BFGS: 219 21:15:43 -132.094184 0.0671 BFGS: 220 21:15:43 -132.095204 0.0890 BFGS: 221 21:15:44 -132.095746 0.0602 BFGS: 222 21:15:45 -132.096238 0.0796 BFGS: 223 21:15:46 -132.096516 0.0614 BFGS: 224 21:15:47 -132.096694 0.0509 BFGS: 225 21:15:48 -132.096847 0.0489 BFGS: 226 21:15:48 -132.097109 0.0378 BFGS: 227 21:15:49 -132.097391 0.0359 BFGS: 228 21:15:50 -132.097754 0.0427 BFGS: 229 21:15:50 -132.098260 0.0568 BFGS: 230 21:15:51 -132.098197 0.1785 BFGS: 231 21:15:52 -132.099536 0.1993 BFGS: 232 21:15:53 -132.104376 0.2315 BFGS: 233 21:15:53 -132.105619 0.2790 BFGS: 234 21:15:54 -132.101341 0.3329 BFGS: 235 21:15:55 -132.100715 0.3739 BFGS: 236 21:15:56 -132.101200 0.3925 BFGS: 237 21:15:57 -132.108968 0.3671 BFGS: 238 21:15:58 -132.109534 0.3441 BFGS: 239 21:15:59 -132.110102 0.3479 BFGS: 240 21:15:59 -132.114588 0.3015 BFGS: 241 21:16:00 -132.129198 0.2816 BFGS: 242 21:16:01 -132.131757 0.2858 BFGS: 243 21:16:01 -132.135622 0.1496 BFGS: 244 21:16:02 -132.138046 0.1675 BFGS: 245 21:16:02 -132.139743 0.1475 BFGS: 246 21:16:03 -132.142508 0.1397 BFGS: 247 21:16:04 -132.145162 0.1271 BFGS: 248 21:16:05 -132.145182 0.1150 BFGS: 249 21:16:06 -132.142293 0.0920 BFGS: 250 21:16:06 -132.140856 0.4410 BFGS: 251 21:16:07 -132.138723 0.3785 BFGS: 252 21:16:08 -132.142787 0.2011 BFGS: 253 21:16:09 -132.143340 0.1095 BFGS: 254 21:16:09 -132.143662 0.1285 BFGS: 255 21:16:10 -132.140046 0.4956 BFGS: 256 21:16:11 -132.143865 0.1020 BFGS: 257 21:16:12 -132.146838 0.1062 BFGS: 258 21:16:13 -132.143074 0.4229 BFGS: 259 21:16:14 -132.143337 0.4524 BFGS: 260 21:16:15 -132.143873 0.1281 BFGS: 261 21:16:16 -132.147292 0.0906 BFGS: 262 21:16:16 -132.147893 0.1346 BFGS: 263 21:16:17 -132.144128 0.4145 BFGS: 264 21:16:18 -132.145516 0.4328 BFGS: 265 21:16:19 -132.153030 0.0835 BFGS: 266 21:16:20 -132.163575 0.0787 BFGS: 267 21:16:20 -132.170730 0.0864 BFGS: 268 21:16:21 -132.172830 0.0946 BFGS: 269 21:16:22 -132.175990 0.1185 BFGS: 270 21:16:23 -132.177670 0.1461 BFGS: 271 21:16:23 -132.179049 0.1737 BFGS: 272 21:16:25 -132.175239 0.2088 BFGS: 273 21:16:26 -132.181837 0.2322 BFGS: 274 21:16:26 -132.192504 0.3387 BFGS: 275 21:16:27 -132.193118 0.3878 BFGS: 276 21:16:28 -132.193677 0.4226 BFGS: 277 21:16:29 -132.194200 0.4411 BFGS: 278 21:16:30 -132.204907 0.4172 BFGS: 279 21:16:31 -132.205708 0.4097 BFGS: 280 21:16:31 -132.221541 0.4445 BFGS: 281 21:16:32 -132.226035 0.4481 BFGS: 282 21:16:33 -132.237304 0.4380 BFGS: 283 21:16:34 -132.233134 0.4415 BFGS: 284 21:16:35 -132.226526 0.3114 BFGS: 285 21:16:35 -132.235657 0.3128 BFGS: 286 21:16:36 -132.237715 0.3065 BFGS: 287 21:16:36 -132.239733 0.3065 BFGS: 288 21:16:37 -132.241705 0.3029 BFGS: 289 21:16:38 -132.242119 0.2982 BFGS: 290 21:16:39 -132.245920 0.4808 BFGS: 291 21:16:40 -132.244911 0.4602 BFGS: 292 21:16:41 -132.241599 0.1114 BFGS: 293 21:16:42 -132.244005 0.1829 BFGS: 294 21:16:42 -132.246387 0.1538 BFGS: 295 21:16:43 -132.248474 0.5890 BFGS: 296 21:16:44 -132.250987 0.4597 BFGS: 297 21:16:45 -132.246741 0.1446 BFGS: 298 21:16:45 -132.247081 0.1202 BFGS: 299 21:16:46 -132.251301 0.4376 BFGS: 300 21:16:47 -132.247284 0.1120 BFGS: 301 21:16:48 -132.247361 0.1061 BFGS: 302 21:16:49 -132.251011 0.4582 BFGS: 303 21:16:50 -132.247466 0.1002 BFGS: 304 21:16:51 -132.247517 0.0950 BFGS: 305 21:16:52 -132.249331 0.5904 BFGS: 306 21:16:53 -132.247588 0.0918 BFGS: 307 21:16:54 -132.251500 0.4374 BFGS: 308 21:16:55 -132.247607 0.0904 BFGS: 309 21:16:56 -132.247616 0.0905 BFGS: 310 21:16:57 -132.251434 0.4393 BFGS: 311 21:16:58 -132.251584 0.4331 BFGS: 312 21:16:59 -132.246998 0.1187 BFGS: 313 21:17:00 -132.247398 0.1068 BFGS: 314 21:17:01 -132.251331 0.4422 BFGS: 315 21:17:02 -132.247528 0.1000 BFGS: 316 21:17:03 -132.247575 0.0969 BFGS: 317 21:17:03 -132.251104 0.4541 BFGS: 318 21:17:04 -132.247616 0.0928 BFGS: 319 21:17:05 -132.247639 0.0907 BFGS: 320 21:17:06 -132.249060 0.5966 BFGS: 321 21:17:06 -132.251464 0.4406 BFGS: 322 21:17:07 -132.246467 0.1355 BFGS: 323 21:17:07 -132.247126 0.1195 BFGS: 324 21:17:08 -132.250558 0.4691 BFGS: 325 21:17:09 -132.247414 0.1085 BFGS: 326 21:17:09 -132.247534 0.1018 BFGS: 327 21:17:09 -132.248951 0.5953 BFGS: 328 21:17:11 -132.247615 0.0962 BFGS: 329 21:17:11 -132.251588 0.4327 BFGS: 330 21:17:12 -132.247629 0.0956 BFGS: 331 21:17:13 -132.247637 0.0950 BFGS: 332 21:17:14 -132.247889 0.6290 BFGS: 333 21:17:15 -132.251419 0.4415 BFGS: 334 21:17:16 -132.246185 0.1735 BFGS: 335 21:17:17 -132.246937 0.1386 BFGS: 336 21:17:18 -132.247685 0.6246 BFGS: 337 21:17:19 -132.247349 0.1173 BFGS: 338 21:17:20 -132.247544 0.1042 BFGS: 339 21:17:21 -132.247297 0.6433 BFGS: 340 21:17:21 -132.251645 0.4299 BFGS: 341 21:17:22 -132.245338 0.1982 BFGS: 342 21:17:23 -132.246627 0.1547 BFGS: 343 21:17:24 -132.247531 0.6304 BFGS: 344 21:17:25 -132.247194 0.1276 BFGS: 345 21:17:26 -132.247460 0.1123 BFGS: 346 21:17:26 -132.247240 0.6397 BFGS: 347 21:17:27 -132.247616 0.1010 BFGS: 348 21:17:28 -132.251447 0.4356 BFGS: 349 21:17:29 -132.247639 0.0991 BFGS: 350 21:17:30 -132.247655 0.0977 BFGS: 351 21:17:31 -132.245451 0.7058 BFGS: 352 21:17:32 -132.251225 0.4477 BFGS: 353 21:17:33 -132.244753 0.2169 BFGS: 354 21:17:34 -132.246615 0.1739 BFGS: 355 21:17:34 -132.245014 0.7242 BFGS: 356 21:17:35 -132.247230 0.1352 BFGS: 357 21:17:36 -132.247511 0.1104 BFGS: 358 21:17:36 -132.244806 0.7242 BFGS: 359 21:17:37 -132.251605 0.4332 BFGS: 360 21:17:38 -132.244443 0.2254 BFGS: 361 21:17:39 -132.246433 0.1800 BFGS: 362 21:17:40 -132.246650 0.6770 BFGS: 363 21:17:41 -132.247102 0.1424 BFGS: 364 21:17:41 -132.247412 0.1183 BFGS: 365 21:17:43 -132.247964 0.7223 BFGS: 366 21:17:43 -132.247657 0.0991 BFGS: 367 21:17:44 -132.251213 0.4481 BFGS: 368 21:17:44 -132.247691 0.0948 BFGS: 369 21:17:45 -132.251626 0.4329 BFGS: 370 21:17:46 -132.247699 0.0942 BFGS: 371 21:17:46 -132.247703 0.0938 BFGS: 372 21:17:48 -132.249305 0.5962 BFGS: 373 21:17:49 -132.251567 0.4370 BFGS: 374 21:17:50 -132.247316 0.1217 BFGS: 375 21:17:51 -132.247478 0.1165 BFGS: 376 21:17:52 -132.249216 0.5952 BFGS: 377 21:17:52 -132.247611 0.1053 BFGS: 378 21:17:53 -132.247686 0.0973 BFGS: 379 21:17:54 -132.248621 0.6242 BFGS: 380 21:17:55 -132.251584 0.4379 BFGS: 381 21:17:55 -132.246887 0.1500 BFGS: 382 21:17:56 -132.247295 0.1331 BFGS: 383 21:17:57 -132.251809 0.6234 BFGS: 384 21:17:58 -132.247519 0.1141 BFGS: 385 21:17:59 -132.247652 0.1008 BFGS: 386 21:18:00 -132.251468 0.6406 BFGS: 387 21:18:00 -132.251644 0.4360 BFGS: 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0.1114 BFGS: 1836 21:37:10 -132.257360 0.1101 BFGS: 1837 21:37:10 -132.260983 0.4218 BFGS: 1838 21:37:11 -132.257390 0.1083 BFGS: 1839 21:37:12 -132.257414 0.1071 BFGS: 1840 21:37:13 -132.260707 0.4287 BFGS: 1841 21:37:13 -132.257438 0.1054 BFGS: 1842 21:37:14 -132.261378 0.4116 BFGS: 1843 21:37:15 -132.261471 0.4079 BFGS: 1844 21:37:15 -132.256152 0.0213 BFGS: 1845 21:37:16 -132.256195 0.0203 BFGS: 1846 21:37:16 -132.261287 0.4140 BFGS: 1847 21:37:17 -132.257334 0.1113 BFGS: 1848 21:37:17 -132.257361 0.1100 BFGS: 1849 21:37:18 -132.260981 0.4217 BFGS: 1850 21:37:19 -132.257391 0.1083 BFGS: 1851 21:37:19 -132.257414 0.1071 BFGS: 1852 21:37:20 -132.260708 0.4285 BFGS: 1853 21:37:20 -132.257439 0.1055 BFGS: 1854 21:37:21 -132.261376 0.4115 BFGS: 1855 21:37:22 -132.261469 0.4080 BFGS: 1856 21:37:22 -132.256153 0.0212 BFGS: 1857 21:37:23 -132.256196 0.0202 BFGS: 1858 21:37:24 -132.261286 0.4139 BFGS: 1859 21:37:24 -132.257334 0.1113 BFGS: 1860 21:37:25 -132.257361 0.1100 BFGS: 1861 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0.1082 BFGS: 1887 21:37:44 -132.257416 0.1070 BFGS: 1888 21:37:45 -132.260711 0.4286 BFGS: 1889 21:37:45 -132.257440 0.1054 BFGS: 1890 21:37:46 -132.261372 0.4117 BFGS: 1891 21:37:48 -132.261464 0.4084 BFGS: 1892 21:37:49 -132.256157 0.0209 BFGS: 1893 21:37:49 -132.257300 0.1132 BFGS: 1894 21:37:50 -132.261274 0.4150 BFGS: 1895 21:37:51 -132.257336 0.1112 BFGS: 1896 21:37:51 -132.257363 0.1098 BFGS: 1897 21:37:52 -132.260980 0.4221 BFGS: 1898 21:37:53 -132.257393 0.1082 BFGS: 1899 21:37:54 -132.257416 0.1069 BFGS: 1900 21:37:55 -132.260708 0.4289 BFGS: 1901 21:37:55 -132.257441 0.1053 BFGS: 1902 21:37:55 -132.261369 0.4119 BFGS: 1903 21:37:56 -132.261461 0.4086 BFGS: 1904 21:37:57 -132.256157 0.0208 BFGS: 1905 21:37:58 -132.257300 0.1132 BFGS: 1906 21:37:59 -132.261272 0.4152 BFGS: 1907 21:38:00 -132.257336 0.1112 BFGS: 1908 21:38:01 -132.257364 0.1098 BFGS: 1909 21:38:02 -132.260977 0.4224 BFGS: 1910 21:38:03 -132.257394 0.1081 BFGS: 1911 21:38:04 -132.257417 0.1068 BFGS: 1912 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0.4085 BFGS: 1938 21:38:26 -132.256156 0.0207 BFGS: 1939 21:38:27 -132.257298 0.1134 BFGS: 1940 21:38:27 -132.261280 0.4155 BFGS: 1941 21:38:27 -132.257335 0.1113 BFGS: 1942 21:38:28 -132.257363 0.1098 BFGS: 1943 21:38:29 -132.260982 0.4228 BFGS: 1944 21:38:30 -132.257393 0.1081 BFGS: 1945 21:38:30 -132.257416 0.1067 BFGS: 1946 21:38:31 -132.260707 0.4295 BFGS: 1947 21:38:32 -132.257441 0.1051 BFGS: 1948 21:38:32 -132.261369 0.4122 BFGS: 1949 21:38:33 -132.261461 0.4088 BFGS: 1950 21:38:33 -132.256156 0.0207 BFGS: 1951 21:38:34 -132.257299 0.1133 BFGS: 1952 21:38:35 -132.261274 0.4155 BFGS: 1953 21:38:35 -132.257336 0.1112 BFGS: 1954 21:38:36 -132.257363 0.1097 BFGS: 1955 21:38:36 -132.260975 0.4228 BFGS: 1956 21:38:37 -132.257394 0.1080 BFGS: 1957 21:38:38 -132.257417 0.1067 BFGS: 1958 21:38:39 -132.260700 0.4297 BFGS: 1959 21:38:39 -132.261474 0.4079 BFGS: 1960 21:38:41 -132.256156 0.0211 BFGS: 1961 21:38:42 -132.257298 0.1135 BFGS: 1962 21:38:42 -132.261295 0.4145 BFGS: 1963 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0.1098 BFGS: 1989 21:39:01 -132.260973 0.4232 BFGS: 1990 21:39:02 -132.257394 0.1080 BFGS: 1991 21:39:03 -132.257417 0.1066 BFGS: 1992 21:39:04 -132.259594 0.5417 BFGS: 1993 21:39:04 -132.261473 0.4081 BFGS: 1994 21:39:05 -132.256155 0.0211 BFGS: 1995 21:39:06 -132.257298 0.1135 BFGS: 1996 21:39:06 -132.261293 0.4148 BFGS: 1997 21:39:07 -132.257334 0.1115 BFGS: 1998 21:39:08 -132.257362 0.1099 BFGS: 1999 21:39:09 -132.260986 0.4230 BFGS: 2000 21:39:10 -132.257392 0.1081 BFGS: 2001 21:39:11 -132.257416 0.1067 BFGS: 2002 21:39:12 -132.259604 0.5417 BFGS: 2003 21:39:12 -132.257441 0.1050 BFGS: 2004 21:39:13 -132.261370 0.4123 BFGS: 2005 21:39:14 -132.261463 0.4089 BFGS: 2006 21:39:15 -132.256154 0.0208 BFGS: 2007 21:39:16 -132.256196 0.0199 BFGS: 2008 21:39:17 -132.261283 0.4152 BFGS: 2009 21:39:17 -132.257335 0.1114 BFGS: 2010 21:39:18 -132.257362 0.1098 BFGS: 2011 21:39:19 -132.260976 0.4233 BFGS: 2012 21:39:20 -132.257393 0.1080 BFGS: 2013 21:39:21 -132.257417 0.1066 BFGS: 2014 21:39:21 -132.260696 0.4303 BFGS: 2015 21:39:22 -132.261475 0.4079 BFGS: 2016 21:39:23 -132.256154 0.0210 BFGS: 2017 21:39:24 -132.257297 0.1136 BFGS: 2018 21:39:24 -132.261295 0.4148 BFGS: 2019 21:39:25 -132.257334 0.1115 BFGS: 2020 21:39:26 -132.257361 0.1099 BFGS: 2021 21:39:27 -132.260988 0.4230 BFGS: 2022 21:39:28 -132.257392 0.1081 BFGS: 2023 21:39:29 -132.257415 0.1067 BFGS: 2024 21:39:30 -132.259605 0.5417 BFGS: 2025 21:39:31 -132.257441 0.1050 BFGS: 2026 21:39:32 -132.261372 0.4123 BFGS: 2027 21:39:33 -132.261465 0.4088 BFGS: 2028 21:39:33 -132.256154 0.0207 BFGS: 2029 21:39:34 -132.257297 0.1136 BFGS: 2030 21:39:35 -132.261278 0.4158 BFGS: 2031 21:39:36 -132.257334 0.1114 BFGS: 2032 21:39:36 -132.257362 0.1098 BFGS: 2033 21:39:37 -132.260974 0.4234 BFGS: 2034 21:39:38 -132.257393 0.1080 BFGS: 2035 21:39:38 -132.257417 0.1066 BFGS: 2036 21:39:39 -132.259593 0.5418 BFGS: 2037 21:39:40 -132.261474 0.4080 BFGS: 2038 21:39:40 -132.256154 0.0211 BFGS: 2039 21:39:41 -132.257297 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0.5421 BFGS: 2091 21:40:18 -132.257442 0.1049 BFGS: 2092 21:40:19 -132.261367 0.4125 BFGS: 2093 21:40:19 -132.261461 0.4090 BFGS: 2094 21:40:20 -132.256153 0.0207 BFGS: 2095 21:40:21 -132.257297 0.1136 BFGS: 2096 21:40:22 -132.261274 0.4160 BFGS: 2097 21:40:23 -132.257334 0.1114 BFGS: 2098 21:40:24 -132.257363 0.1097 BFGS: 2099 21:40:24 -132.260967 0.4238 BFGS: 2100 21:40:25 -132.257394 0.1079 BFGS: 2101 21:40:26 -132.257418 0.1065 BFGS: 2102 21:40:26 -132.259582 0.5422 BFGS: 2103 21:40:27 -132.261470 0.4085 BFGS: 2104 21:40:28 -132.256153 0.0210 BFGS: 2105 21:40:28 -132.256195 0.0200 BFGS: 2106 21:40:29 -132.261295 0.4146 BFGS: 2107 21:40:30 -132.257334 0.1116 BFGS: 2108 21:40:31 -132.257361 0.1100 BFGS: 2109 21:40:31 -132.260981 0.4235 BFGS: 2110 21:40:32 -132.257392 0.1080 BFGS: 2111 21:40:33 -132.257416 0.1065 BFGS: 2112 21:40:34 -132.260693 0.4309 BFGS: 2113 21:40:35 -132.257442 0.1048 BFGS: 2114 21:40:36 -132.261365 0.4127 BFGS: 2115 21:40:36 -132.261459 0.4092 BFGS: 2116 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22:57:41 -132.260090 0.5304 BFGS: 8339 22:57:42 -132.257336 0.1117 BFGS: 8340 22:57:42 -132.257369 0.1096 BFGS: 8341 22:57:43 -132.259723 0.5406 BFGS: 8342 22:57:43 -132.257406 0.1073 BFGS: 8343 22:57:44 -132.257434 0.1054 BFGS: 8344 22:57:45 -132.259377 0.5496 BFGS: 8345 22:57:45 -132.261403 0.4122 BFGS: 8346 22:57:46 -132.257239 0.1170 BFGS: 8347 22:57:46 -132.257290 0.1143 BFGS: 8348 22:57:47 -132.260092 0.5304 BFGS: 8349 22:57:47 -132.257335 0.1117 BFGS: 8350 22:57:48 -132.257369 0.1097 BFGS: 8351 22:57:49 -132.259724 0.5406 BFGS: 8352 22:57:49 -132.257406 0.1073 BFGS: 8353 22:57:50 -132.257434 0.1054 BFGS: 8354 22:57:51 -132.259378 0.5496 BFGS: 8355 22:57:51 -132.261404 0.4122 BFGS: 8356 22:57:52 -132.256138 0.0211 BFGS: 8357 22:57:52 -132.257290 0.1143 BFGS: 8358 22:57:53 -132.260090 0.5304 BFGS: 8359 22:57:53 -132.257336 0.1117 BFGS: 8360 22:57:53 -132.257369 0.1096 BFGS: 8361 22:57:54 -132.259723 0.5406 BFGS: 8362 22:57:54 -132.257406 0.1073 BFGS: 8363 22:57:55 -132.257434 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22:58:07 -132.257336 0.1117 BFGS: 8390 22:58:07 -132.257369 0.1097 BFGS: 8391 22:58:08 -132.259723 0.5406 BFGS: 8392 22:58:08 -132.257406 0.1073 BFGS: 8393 22:58:09 -132.257434 0.1054 BFGS: 8394 22:58:09 -132.259378 0.5496 BFGS: 8395 22:58:10 -132.261404 0.4122 BFGS: 8396 22:58:10 -132.257239 0.1170 BFGS: 8397 22:58:11 -132.257290 0.1143 BFGS: 8398 22:58:11 -132.260092 0.5303 BFGS: 8399 22:58:12 -132.257335 0.1117 BFGS: 8400 22:58:12 -132.257369 0.1097 BFGS: 8401 22:58:12 -132.259724 0.5406 BFGS: 8402 22:58:13 -132.257406 0.1073 BFGS: 8403 22:58:13 -132.257434 0.1054 BFGS: 8404 22:58:14 -132.259379 0.5496 BFGS: 8405 22:58:14 -132.261404 0.4122 BFGS: 8406 22:58:15 -132.256138 0.0211 BFGS: 8407 22:58:15 -132.257290 0.1143 BFGS: 8408 22:58:15 -132.260090 0.5304 BFGS: 8409 22:58:16 -132.257336 0.1117 BFGS: 8410 22:58:16 -132.257369 0.1097 BFGS: 8411 22:58:17 -132.259723 0.5406 BFGS: 8412 22:58:17 -132.257406 0.1073 BFGS: 8413 22:58:17 -132.257434 0.1054 BFGS: 8414 22:58:18 -132.259377 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22:58:32 -132.257369 0.1097 BFGS: 8441 22:58:33 -132.259724 0.5406 BFGS: 8442 22:58:33 -132.257406 0.1073 BFGS: 8443 22:58:33 -132.257434 0.1054 BFGS: 8444 22:58:34 -132.259378 0.5496 BFGS: 8445 22:58:34 -132.261404 0.4122 BFGS: 8446 22:58:35 -132.257239 0.1170 BFGS: 8447 22:58:35 -132.257290 0.1143 BFGS: 8448 22:58:36 -132.260092 0.5303 BFGS: 8449 22:58:36 -132.257335 0.1117 BFGS: 8450 22:58:37 -132.257369 0.1097 BFGS: 8451 22:58:37 -132.259725 0.5405 BFGS: 8452 22:58:38 -132.257406 0.1073 BFGS: 8453 22:58:38 -132.257434 0.1054 BFGS: 8454 22:58:39 -132.259379 0.5496 BFGS: 8455 22:58:39 -132.261405 0.4122 BFGS: 8456 22:58:40 -132.256138 0.0211 BFGS: 8457 22:58:41 -132.257290 0.1143 BFGS: 8458 22:58:41 -132.260090 0.5304 BFGS: 8459 22:58:42 -132.257336 0.1117 BFGS: 8460 22:58:42 -132.257369 0.1097 BFGS: 8461 22:58:43 -132.259723 0.5406 BFGS: 8462 22:58:43 -132.257406 0.1073 BFGS: 8463 22:58:44 -132.257434 0.1054 BFGS: 8464 22:58:44 -132.259377 0.5496 BFGS: 8465 22:58:44 -132.261404 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22:58:50 -132.259724 0.5406 BFGS: 8492 22:58:50 -132.257406 0.1073 BFGS: 8493 22:58:51 -132.257434 0.1054 BFGS: 8494 22:58:51 -132.259378 0.5496 BFGS: 8495 22:58:51 -132.261404 0.4122 BFGS: 8496 22:58:52 -132.256138 0.0211 BFGS: 8497 22:58:52 -132.257290 0.1143 BFGS: 8498 22:58:52 -132.260090 0.5304 BFGS: 8499 22:58:53 -132.257336 0.1117 BFGS: 8500 22:58:53 -132.257369 0.1096 BFGS: 8501 22:58:53 -132.259723 0.5406 BFGS: 8502 22:58:54 -132.257406 0.1073 BFGS: 8503 22:58:54 -132.257435 0.1054 BFGS: 8504 22:58:54 -132.259377 0.5497 BFGS: 8505 22:58:55 -132.261403 0.4122 BFGS: 8506 22:58:55 -132.257239 0.1170 BFGS: 8507 22:58:55 -132.257290 0.1143 BFGS: 8508 22:58:56 -132.260092 0.5304 BFGS: 8509 22:58:56 -132.257335 0.1117 BFGS: 8510 22:58:57 -132.257369 0.1097 BFGS: 8511 22:58:57 -132.259724 0.5406 BFGS: 8512 22:58:58 -132.257406 0.1073 BFGS: 8513 22:58:58 -132.257434 0.1054 BFGS: 8514 22:58:58 -132.259378 0.5496 BFGS: 8515 22:58:59 -132.261404 0.4122 BFGS: 8516 22:59:00 -132.256138 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22:59:39 -132.259377 0.5497 BFGS: 8645 22:59:39 -132.260303 0.5239 BFGS: 8646 22:59:40 -132.257239 0.1171 BFGS: 8647 22:59:40 -132.257290 0.1143 BFGS: 8648 22:59:40 -132.260092 0.5304 BFGS: 8649 22:59:41 -132.257335 0.1117 BFGS: 8650 22:59:41 -132.257369 0.1097 BFGS: 8651 22:59:42 -132.259724 0.5406 BFGS: 8652 22:59:42 -132.257406 0.1073 BFGS: 8653 22:59:42 -132.257434 0.1054 BFGS: 8654 22:59:43 -132.259378 0.5496 BFGS: 8655 22:59:43 -132.261405 0.4122 BFGS: 8656 22:59:43 -132.257239 0.1171 BFGS: 8657 22:59:44 -132.257290 0.1143 BFGS: 8658 22:59:44 -132.260093 0.5303 BFGS: 8659 22:59:45 -132.257335 0.1117 BFGS: 8660 22:59:45 -132.257369 0.1097 BFGS: 8661 22:59:45 -132.259725 0.5405 BFGS: 8662 22:59:46 -132.257406 0.1073 BFGS: 8663 22:59:46 -132.257434 0.1054 BFGS: 8664 22:59:46 -132.259379 0.5496 BFGS: 8665 22:59:47 -132.261405 0.4122 BFGS: 8666 22:59:47 -132.257239 0.1170 BFGS: 8667 22:59:47 -132.257290 0.1143 BFGS: 8668 22:59:48 -132.260093 0.5303 BFGS: 8669 22:59:48 -132.257335 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22:59:59 -132.261405 0.4122 BFGS: 8696 23:00:00 -132.256138 0.0210 BFGS: 8697 23:00:00 -132.257290 0.1143 BFGS: 8698 23:00:01 -132.260090 0.5304 BFGS: 8699 23:00:01 -132.257336 0.1117 BFGS: 8700 23:00:01 -132.257369 0.1096 BFGS: 8701 23:00:02 -132.259723 0.5406 BFGS: 8702 23:00:02 -132.257406 0.1073 BFGS: 8703 23:00:03 -132.257435 0.1054 BFGS: 8704 23:00:03 -132.259378 0.5497 BFGS: 8705 23:00:03 -132.261404 0.4122 BFGS: 8706 23:00:04 -132.257239 0.1170 BFGS: 8707 23:00:05 -132.257290 0.1143 BFGS: 8708 23:00:05 -132.260092 0.5304 BFGS: 8709 23:00:06 -132.257336 0.1117 BFGS: 8710 23:00:06 -132.257369 0.1097 BFGS: 8711 23:00:07 -132.259724 0.5406 BFGS: 8712 23:00:07 -132.257406 0.1073 BFGS: 8713 23:00:08 -132.257434 0.1054 BFGS: 8714 23:00:08 -132.259378 0.5496 BFGS: 8715 23:00:08 -132.261405 0.4122 BFGS: 8716 23:00:09 -132.257239 0.1170 BFGS: 8717 23:00:09 -132.257290 0.1143 BFGS: 8718 23:00:10 -132.260093 0.5303 BFGS: 8719 23:00:10 -132.257335 0.1117 BFGS: 8720 23:00:10 -132.257369 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0.1117 BFGS: 9690 23:06:11 -132.257370 0.1097 BFGS: 9691 23:06:11 -132.259727 0.5406 BFGS: 9692 23:06:12 -132.257407 0.1073 BFGS: 9693 23:06:12 -132.257435 0.1054 BFGS: 9694 23:06:12 -132.259381 0.5496 BFGS: 9695 23:06:13 -132.261406 0.4122 BFGS: 9696 23:06:13 -132.256138 0.0210 BFGS: 9697 23:06:13 -132.257291 0.1143 BFGS: 9698 23:06:14 -132.260092 0.5304 BFGS: 9699 23:06:14 -132.257336 0.1117 BFGS: 9700 23:06:14 -132.257370 0.1096 BFGS: 9701 23:06:15 -132.259725 0.5406 BFGS: 9702 23:06:15 -132.257407 0.1073 BFGS: 9703 23:06:15 -132.257435 0.1054 BFGS: 9704 23:06:16 -132.259379 0.5497 BFGS: 9705 23:06:16 -132.260304 0.5239 BFGS: 9706 23:06:16 -132.257240 0.1171 BFGS: 9707 23:06:17 -132.257291 0.1143 BFGS: 9708 23:06:17 -132.260093 0.5304 BFGS: 9709 23:06:17 -132.257336 0.1117 BFGS: 9710 23:06:17 -132.257370 0.1097 BFGS: 9711 23:06:18 -132.259726 0.5406 BFGS: 9712 23:06:18 -132.257407 0.1073 BFGS: 9713 23:06:18 -132.257435 0.1054 BFGS: 9714 23:06:18 -132.259380 0.5496 BFGS: 9715 23:06:19 -132.261406 0.4122 BFGS: 9716 23:06:19 -132.257240 0.1170 BFGS: 9717 23:06:19 -132.257291 0.1143 BFGS: 9718 23:06:20 -132.260094 0.5303 BFGS: 9719 23:06:20 -132.257336 0.1117 BFGS: 9720 23:06:20 -132.257370 0.1097 BFGS: 9721 23:06:21 -132.259727 0.5406 BFGS: 9722 23:06:21 -132.257407 0.1073 BFGS: 9723 23:06:21 -132.257435 0.1054 BFGS: 9724 23:06:22 -132.259381 0.5496 BFGS: 9725 23:06:22 -132.261406 0.4122 BFGS: 9726 23:06:22 -132.257239 0.1170 BFGS: 9727 23:06:23 -132.257291 0.1143 BFGS: 9728 23:06:23 -132.260095 0.5303 BFGS: 9729 23:06:23 -132.257336 0.1117 BFGS: 9730 23:06:23 -132.257370 0.1097 BFGS: 9731 23:06:24 -132.259727 0.5405 BFGS: 9732 23:06:24 -132.257407 0.1073 BFGS: 9733 23:06:24 -132.257435 0.1054 BFGS: 9734 23:06:25 -132.259381 0.5496 BFGS: 9735 23:06:25 -132.261407 0.4122 BFGS: 9736 23:06:25 -132.256138 0.0210 BFGS: 9737 23:06:26 -132.257291 0.1143 BFGS: 9738 23:06:26 -132.260092 0.5304 BFGS: 9739 23:06:26 -132.257336 0.1117 BFGS: 9740 23:06:27 -132.257370 0.1096 BFGS: 9741 23:06:27 -132.259725 0.5406 BFGS: 9742 23:06:27 -132.257407 0.1073 BFGS: 9743 23:06:28 -132.257435 0.1054 BFGS: 9744 23:06:28 -132.259379 0.5497 BFGS: 9745 23:06:28 -132.261405 0.4122 BFGS: 9746 23:06:28 -132.257240 0.1170 BFGS: 9747 23:06:29 -132.257291 0.1143 BFGS: 9748 23:06:29 -132.260093 0.5304 BFGS: 9749 23:06:29 -132.257336 0.1117 BFGS: 9750 23:06:30 -132.257370 0.1096 BFGS: 9751 23:06:30 -132.259726 0.5406 BFGS: 9752 23:06:30 -132.257407 0.1073 BFGS: 9753 23:06:30 -132.257435 0.1054 BFGS: 9754 23:06:31 -132.259380 0.5496 BFGS: 9755 23:06:31 -132.261406 0.4122 BFGS: 9756 23:06:31 -132.257240 0.1170 BFGS: 9757 23:06:32 -132.257291 0.1143 BFGS: 9758 23:06:32 -132.260094 0.5304 BFGS: 9759 23:06:32 -132.257336 0.1117 BFGS: 9760 23:06:32 -132.257370 0.1097 BFGS: 9761 23:06:33 -132.259727 0.5406 BFGS: 9762 23:06:33 -132.257407 0.1073 BFGS: 9763 23:06:33 -132.257435 0.1054 BFGS: 9764 23:06:34 -132.259381 0.5496 BFGS: 9765 23:06:34 -132.261406 0.4122 BFGS: 9766 23:06:34 -132.256138 0.0210 BFGS: 9767 23:06:35 -132.257291 0.1143 BFGS: 9768 23:06:35 -132.260091 0.5304 BFGS: 9769 23:06:35 -132.257336 0.1117 BFGS: 9770 23:06:36 -132.257370 0.1096 BFGS: 9771 23:06:36 -132.259725 0.5406 BFGS: 9772 23:06:36 -132.257407 0.1073 BFGS: 9773 23:06:36 -132.257435 0.1054 BFGS: 9774 23:06:37 -132.259379 0.5497 BFGS: 9775 23:06:37 -132.260304 0.5239 BFGS: 9776 23:06:37 -132.257240 0.1171 BFGS: 9777 23:06:38 -132.257291 0.1143 BFGS: 9778 23:06:38 -132.260093 0.5304 BFGS: 9779 23:06:38 -132.257336 0.1117 BFGS: 9780 23:06:39 -132.257370 0.1097 BFGS: 9781 23:06:39 -132.259726 0.5406 BFGS: 9782 23:06:39 -132.257407 0.1073 BFGS: 9783 23:06:40 -132.257435 0.1054 BFGS: 9784 23:06:40 -132.259380 0.5497 BFGS: 9785 23:06:40 -132.261406 0.4122 BFGS: 9786 23:06:41 -132.257240 0.1170 BFGS: 9787 23:06:41 -132.257291 0.1143 BFGS: 9788 23:06:41 -132.260094 0.5304 BFGS: 9789 23:06:42 -132.257336 0.1117 BFGS: 9790 23:06:42 -132.257370 0.1097 BFGS: 9791 23:06:42 -132.259727 0.5406 BFGS: 9792 23:06:43 -132.257407 0.1073 BFGS: 9793 23:06:43 -132.257435 0.1054 BFGS: 9794 23:06:44 -132.259381 0.5496 BFGS: 9795 23:06:44 -132.261406 0.4122 BFGS: 9796 23:06:44 -132.257239 0.1170 BFGS: 9797 23:06:45 -132.257291 0.1143 BFGS: 9798 23:06:45 -132.260095 0.5303 BFGS: 9799 23:06:45 -132.257336 0.1117 BFGS: 9800 23:06:46 -132.257370 0.1097 BFGS: 9801 23:06:46 -132.259727 0.5405 BFGS: 9802 23:06:46 -132.257407 0.1073 BFGS: 9803 23:06:47 -132.257435 0.1054 BFGS: 9804 23:06:47 -132.259381 0.5496 BFGS: 9805 23:06:47 -132.261407 0.4122 BFGS: 9806 23:06:48 -132.256138 0.0210 BFGS: 9807 23:06:48 -132.257291 0.1143 BFGS: 9808 23:06:48 -132.260092 0.5304 BFGS: 9809 23:06:49 -132.257336 0.1117 BFGS: 9810 23:06:49 -132.257370 0.1096 BFGS: 9811 23:06:49 -132.259725 0.5406 BFGS: 9812 23:06:50 -132.257407 0.1073 BFGS: 9813 23:06:50 -132.257435 0.1054 BFGS: 9814 23:06:51 -132.259379 0.5497 BFGS: 9815 23:06:51 -132.261405 0.4122 BFGS: 9816 23:06:51 -132.257240 0.1170 BFGS: 9817 23:06:51 -132.257291 0.1143 BFGS: 9818 23:06:52 -132.260093 0.5304 BFGS: 9819 23:06:52 -132.257336 0.1117 BFGS: 9820 23:06:52 -132.257370 0.1096 BFGS: 9821 23:06:53 -132.259726 0.5406 BFGS: 9822 23:06:53 -132.257407 0.1073 BFGS: 9823 23:06:53 -132.257435 0.1054 BFGS: 9824 23:06:53 -132.259380 0.5497 BFGS: 9825 23:06:54 -132.261406 0.4122 BFGS: 9826 23:06:54 -132.257240 0.1170 BFGS: 9827 23:06:54 -132.257291 0.1143 BFGS: 9828 23:06:55 -132.260094 0.5304 BFGS: 9829 23:06:55 -132.257336 0.1117 BFGS: 9830 23:06:55 -132.257370 0.1096 BFGS: 9831 23:06:56 -132.259726 0.5406 BFGS: 9832 23:06:56 -132.257407 0.1073 BFGS: 9833 23:06:56 -132.257435 0.1054 BFGS: 9834 23:06:57 -132.259381 0.5496 BFGS: 9835 23:06:57 -132.261406 0.4122 BFGS: 9836 23:06:57 -132.256138 0.0210 BFGS: 9837 23:06:58 -132.257291 0.1143 BFGS: 9838 23:06:58 -132.260091 0.5304 BFGS: 9839 23:06:58 -132.257337 0.1117 BFGS: 9840 23:06:59 -132.257370 0.1096 BFGS: 9841 23:06:59 -132.259725 0.5406 BFGS: 9842 23:06:59 -132.257407 0.1073 BFGS: 9843 23:07:00 -132.257435 0.1054 BFGS: 9844 23:07:00 -132.259379 0.5497 BFGS: 9845 23:07:00 -132.260304 0.5239 BFGS: 9846 23:07:01 -132.257240 0.1171 BFGS: 9847 23:07:01 -132.257291 0.1143 BFGS: 9848 23:07:01 -132.260093 0.5304 BFGS: 9849 23:07:02 -132.257336 0.1117 BFGS: 9850 23:07:02 -132.257370 0.1097 BFGS: 9851 23:07:02 -132.259726 0.5406 BFGS: 9852 23:07:03 -132.257407 0.1073 BFGS: 9853 23:07:03 -132.257435 0.1054 BFGS: 9854 23:07:04 -132.259380 0.5497 BFGS: 9855 23:07:04 -132.261406 0.4122 BFGS: 9856 23:07:04 -132.257240 0.1170 BFGS: 9857 23:07:05 -132.257291 0.1143 BFGS: 9858 23:07:05 -132.260094 0.5304 BFGS: 9859 23:07:05 -132.257336 0.1117 BFGS: 9860 23:07:06 -132.257370 0.1097 BFGS: 9861 23:07:06 -132.259727 0.5406 BFGS: 9862 23:07:06 -132.257407 0.1073 BFGS: 9863 23:07:07 -132.257435 0.1054 BFGS: 9864 23:07:07 -132.259381 0.5496 BFGS: 9865 23:07:08 -132.261406 0.4122 BFGS: 9866 23:07:08 -132.257239 0.1170 BFGS: 9867 23:07:09 -132.257291 0.1143 BFGS: 9868 23:07:09 -132.260095 0.5303 BFGS: 9869 23:07:09 -132.257336 0.1117 BFGS: 9870 23:07:10 -132.257370 0.1097 BFGS: 9871 23:07:10 -132.259727 0.5406 BFGS: 9872 23:07:11 -132.257407 0.1073 BFGS: 9873 23:07:11 -132.257435 0.1054 BFGS: 9874 23:07:11 -132.259381 0.5496 BFGS: 9875 23:07:12 -132.261407 0.4122 BFGS: 9876 23:07:12 -132.256138 0.0210 BFGS: 9877 23:07:13 -132.257291 0.1143 BFGS: 9878 23:07:13 -132.260092 0.5304 BFGS: 9879 23:07:13 -132.257336 0.1117 BFGS: 9880 23:07:14 -132.257370 0.1096 BFGS: 9881 23:07:14 -132.259725 0.5406 BFGS: 9882 23:07:15 -132.257407 0.1073 BFGS: 9883 23:07:15 -132.257435 0.1054 BFGS: 9884 23:07:15 -132.259379 0.5497 BFGS: 9885 23:07:16 -132.261405 0.4122 BFGS: 9886 23:07:16 -132.257240 0.1170 BFGS: 9887 23:07:16 -132.257291 0.1143 BFGS: 9888 23:07:17 -132.260093 0.5304 BFGS: 9889 23:07:17 -132.257336 0.1117 BFGS: 9890 23:07:17 -132.257370 0.1096 BFGS: 9891 23:07:18 -132.259726 0.5406 BFGS: 9892 23:07:18 -132.257407 0.1073 BFGS: 9893 23:07:18 -132.257435 0.1054 BFGS: 9894 23:07:18 -132.259380 0.5497 BFGS: 9895 23:07:19 -132.261406 0.4122 BFGS: 9896 23:07:19 -132.257240 0.1170 BFGS: 9897 23:07:20 -132.257291 0.1143 BFGS: 9898 23:07:20 -132.260094 0.5304 BFGS: 9899 23:07:20 -132.257336 0.1117 BFGS: 9900 23:07:20 -132.257370 0.1096 BFGS: 9901 23:07:21 -132.259726 0.5406 BFGS: 9902 23:07:22 -132.257407 0.1073 BFGS: 9903 23:07:22 -132.257435 0.1054 BFGS: 9904 23:07:22 -132.259380 0.5496 BFGS: 9905 23:07:23 -132.261406 0.4122 BFGS: 9906 23:07:23 -132.256138 0.0210 BFGS: 9907 23:07:23 -132.257291 0.1143 BFGS: 9908 23:07:24 -132.260091 0.5304 BFGS: 9909 23:07:24 -132.257337 0.1117 BFGS: 9910 23:07:24 -132.257370 0.1096 BFGS: 9911 23:07:25 -132.259725 0.5406 BFGS: 9912 23:07:25 -132.257407 0.1073 BFGS: 9913 23:07:25 -132.257435 0.1054 BFGS: 9914 23:07:26 -132.259379 0.5497 BFGS: 9915 23:07:26 -132.260304 0.5239 BFGS: 9916 23:07:27 -132.257240 0.1171 BFGS: 9917 23:07:27 -132.257291 0.1143 BFGS: 9918 23:07:27 -132.260093 0.5304 BFGS: 9919 23:07:28 -132.257336 0.1117 BFGS: 9920 23:07:28 -132.257370 0.1097 BFGS: 9921 23:07:29 -132.259726 0.5406 BFGS: 9922 23:07:29 -132.257407 0.1073 BFGS: 9923 23:07:29 -132.257435 0.1054 BFGS: 9924 23:07:29 -132.259380 0.5497 BFGS: 9925 23:07:30 -132.261406 0.4122 BFGS: 9926 23:07:30 -132.257240 0.1170 BFGS: 9927 23:07:30 -132.257291 0.1143 BFGS: 9928 23:07:31 -132.260094 0.5304 BFGS: 9929 23:07:31 -132.257336 0.1117 BFGS: 9930 23:07:31 -132.257370 0.1097 BFGS: 9931 23:07:32 -132.259727 0.5406 BFGS: 9932 23:07:32 -132.257407 0.1073 BFGS: 9933 23:07:32 -132.257435 0.1054 BFGS: 9934 23:07:33 -132.259381 0.5496 BFGS: 9935 23:07:33 -132.261406 0.4122 BFGS: 9936 23:07:33 -132.257240 0.1170 BFGS: 9937 23:07:34 -132.257291 0.1143 BFGS: 9938 23:07:34 -132.260095 0.5303 BFGS: 9939 23:07:34 -132.257336 0.1117 BFGS: 9940 23:07:35 -132.257370 0.1097 BFGS: 9941 23:07:35 -132.259727 0.5406 BFGS: 9942 23:07:35 -132.257407 0.1073 BFGS: 9943 23:07:36 -132.257435 0.1054 BFGS: 9944 23:07:36 -132.259381 0.5496 BFGS: 9945 23:07:37 -132.261407 0.4122 BFGS: 9946 23:07:37 -132.257239 0.1170 BFGS: 9947 23:07:37 -132.257291 0.1143 BFGS: 9948 23:07:38 -132.260095 0.5303 BFGS: 9949 23:07:38 -132.257336 0.1117 BFGS: 9950 23:07:38 -132.257370 0.1097 BFGS: 9951 23:07:39 -132.259727 0.5405 BFGS: 9952 23:07:39 -132.257407 0.1073 BFGS: 9953 23:07:39 -132.257435 0.1054 BFGS: 9954 23:07:40 -132.259381 0.5496 BFGS: 9955 23:07:40 -132.261407 0.4122 BFGS: 9956 23:07:40 -132.256138 0.0210 BFGS: 9957 23:07:41 -132.257291 0.1143 BFGS: 9958 23:07:41 -132.260092 0.5304 BFGS: 9959 23:07:41 -132.257336 0.1117 BFGS: 9960 23:07:42 -132.257370 0.1096 BFGS: 9961 23:07:42 -132.259725 0.5406 BFGS: 9962 23:07:43 -132.257407 0.1073 BFGS: 9963 23:07:43 -132.257435 0.1054 BFGS: 9964 23:07:43 -132.259379 0.5497 BFGS: 9965 23:07:44 -132.261405 0.4122 BFGS: 9966 23:07:44 -132.257240 0.1170 BFGS: 9967 23:07:44 -132.257291 0.1143 BFGS: 9968 23:07:45 -132.260094 0.5304 BFGS: 9969 23:07:45 -132.257336 0.1117 BFGS: 9970 23:07:45 -132.257370 0.1096 BFGS: 9971 23:07:46 -132.259726 0.5406 BFGS: 9972 23:07:46 -132.257407 0.1073 BFGS: 9973 23:07:46 -132.257435 0.1054 BFGS: 9974 23:07:47 -132.259380 0.5497 BFGS: 9975 23:07:47 -132.261406 0.4122 BFGS: 9976 23:07:47 -132.257240 0.1170 BFGS: 9977 23:07:48 -132.257291 0.1143 BFGS: 9978 23:07:48 -132.260094 0.5304 BFGS: 9979 23:07:48 -132.257336 0.1117 BFGS: 9980 23:07:49 -132.257370 0.1096 BFGS: 9981 23:07:49 -132.259727 0.5406 BFGS: 9982 23:07:49 -132.257407 0.1073 BFGS: 9983 23:07:50 -132.257435 0.1054 BFGS: 9984 23:07:50 -132.259381 0.5496 BFGS: 9985 23:07:51 -132.261406 0.4122 BFGS: 9986 23:07:51 -132.256139 0.0210 BFGS: 9987 23:07:51 -132.257291 0.1143 BFGS: 9988 23:07:51 -132.260092 0.5304 BFGS: 9989 23:07:52 -132.257337 0.1117 BFGS: 9990 23:07:52 -132.257370 0.1096 BFGS: 9991 23:07:52 -132.259725 0.5406 BFGS: 9992 23:07:53 -132.257407 0.1073 BFGS: 9993 23:07:53 -132.257435 0.1053 BFGS: 9994 23:07:53 -132.259379 0.5497 BFGS: 9995 23:07:54 -132.260304 0.5239 BFGS: 9996 23:07:54 -132.257240 0.1171 BFGS: 9997 23:07:54 -132.257291 0.1143 BFGS: 9998 23:07:55 -132.260093 0.5304 BFGS: 9999 23:07:55 -132.257336 0.1117 BFGS: 10000 23:07:55 -132.257370 0.1097 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.09276063993992112 eV/Angstrom Maximum stress component: 0.0032010546407338896 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.10144063 0.00523671 0.05568782] [0.89855937 0.50523671 0.44431218] [0.89855937 0.99476329 0.94431218] [0.10144063 0.49476329 0.55568782] [0.18151401 0.78460665 0.98173589] [0.81848599 0.28460665 0.51826411] [0.81848599 0.21539335 0.01826411] [0.18151401 0.71539335 0.48173589] [0.738194 0.53182922 0.60534541] [0.261806 0.03182922 0.89465459] [0.261806 0.46817078 0.39465459] [0.738194 0.96817078 0.10534541] [0.50204309 0.22583217 0.35738839] [0.49795691 0.72583217 0.14261161] [0.49795691 0.77416783 0.64261161] [0.50204309 0.27416783 0.85738839] [0.02891632 0.78871859 0.88845259] [0.97108368 0.28871859 0.61154741] [0.97108368 0.21128141 0.11154741] [0.02891632 0.71128141 0.38845259] [0.29796096 0.19093041 0.26541841] [0.70203904 0.69093041 0.23458159] [0.70203904 0.80906959 0.73458159] [0.29796096 0.30906959 0.76541841] [0.62651913 0.46506776 0.43829845] [0.37348087 0.96506776 0.06170155] [0.37348087 0.53493224 0.56170155] [0.62651913 0.03493224 0.93829845]] cellpar = Cell([[12.670052599464416, 3.6975398673926773e-17, 1.004477615397557], [-6.506798365508727e-20, 2.9786486314750404, 7.91063221291495e-17], [-11.32004543743992, 7.083670854998078e-17, 4.5559795418852405]]) forces = [[ 0.04658622 -0.03231461 -0.01846672] [-0.04658622 -0.03231461 0.01846672] [-0.04658622 0.03231461 0.01846672] [ 0.04658622 0.03231461 -0.01846672] [ 0.00662517 -0.00145675 -0.0021763 ] [-0.00662517 -0.00145675 0.0021763 ] [-0.00662517 0.00145675 0.0021763 ] [ 0.00662517 0.00145675 -0.0021763 ] [ 0.00024507 -0.00028789 0.00109161] [-0.00024507 -0.00028789 -0.00109161] [-0.00024507 0.00028789 -0.00109161] [ 0.00024507 0.00028789 0.00109161] [ 0.00053849 0.00071291 0.00067742] [-0.00053849 0.00071291 -0.00067742] [-0.00053849 -0.00071291 -0.00067742] [ 0.00053849 -0.00071291 0.00067742] [ 0.03407487 -0.01521792 -0.02281567] [-0.03407487 -0.01521792 0.02281567] [-0.03407487 0.01521792 0.02281567] [ 0.03407487 0.01521792 -0.02281567] [ 0.01270884 0.05269233 0.09276064] [-0.01270884 0.05269233 -0.09276064] [-0.01270884 -0.05269233 -0.09276064] [ 0.01270884 -0.05269233 0.09276064] [-0.00054303 0.0004086 0.00014131] [ 0.00054303 0.0004086 -0.00014131] [ 0.00054303 -0.0004086 -0.00014131] [-0.00054303 -0.0004086 0.00014131]] stress = [-1.76584563e-03 -5.40759309e-04 -3.20105464e-03 -9.78715327e-24 -6.12883417e-04 -3.75549267e-23] energy per atom = -4.67143599028021 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0