element(s): ['C', 'H', 'O'] AFLOW prototype label: A3B2C4_tP36_76_3a_2a_4a Parameter names: ['a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.2717', '1.7709712', '0.82092583', '0.41854229', '0.073928004', '0.91934015', '0.31945899', '0.1867982', '0.11036204', '0.61241729', '0.13169148', '0.091391045', '0.76534671', '0.17836499', '0.265049', '0.59876925', '0.086361935', '0.66486674', '0.36134092', '0.018595557', '0.94207152', '0.58930949', '0.044932206', '0.86251691', '0.1622807', '0.24128077', '0.089186294', '0.44112091', '0.21674685'] model name: Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'H', 'H', 'O', 'O', 'O', 'O'] representative atom coordinates = [[0.82092583 0.41854229 0.073928 ] [0.91934015 0.31945899 0.1867982 ] [0.11036204 0.61241729 0.13169148] [0.09139105 0.76534671 0.17836499] [0.265049 0.59876925 0.08636194] [0.66486674 0.36134092 0.01859556] [0.94207152 0.58930949 0.04493221] [0.86251691 0.1622807 0.24128077] [0.08918629 0.44112091 0.21674685]] spacegroup = 76 cell = [[6.2717, 0, 0], [0, 6.2717, 0], [0, 0, 11.107]] ========================================= Step Time Energy fmax BFGS: 0 11:24:55 -163.588806 38.9990 BFGS: 1 11:24:56 -184.154330 10.1251 BFGS: 2 11:24:56 -185.992702 13.2290 BFGS: 3 11:24:57 -185.924575 7.5856 BFGS: 4 11:24:57 -186.786274 4.0011 BFGS: 5 11:24:58 -187.525922 4.2948 BFGS: 6 11:24:59 -187.961918 2.0797 BFGS: 7 11:25:00 -187.266384 9.6794 BFGS: 8 11:25:01 -188.191764 2.4455 BFGS: 9 11:25:01 -185.462940 18.5074 BFGS: 10 11:25:02 -188.323794 0.9781 BFGS: 11 11:25:04 -188.352772 0.6532 BFGS: 12 11:25:04 -188.379783 0.2218 BFGS: 13 11:25:05 -188.385436 0.2262 BFGS: 14 11:25:06 -188.395867 0.6448 BFGS: 15 11:25:07 -188.394554 0.1693 BFGS: 16 11:25:08 -188.398695 0.1543 BFGS: 17 11:25:09 -188.415465 0.2155 BFGS: 18 11:25:10 -188.432035 0.5722 BFGS: 19 11:25:11 -188.439142 0.2454 BFGS: 20 11:25:12 -188.455524 0.2098 BFGS: 21 11:25:13 -188.499121 0.7237 BFGS: 22 11:25:14 -188.515065 0.6744 BFGS: 23 11:25:15 -188.539594 0.5542 BFGS: 24 11:25:16 -188.533872 0.0792 BFGS: 25 11:25:16 -188.536104 0.1463 BFGS: 26 11:25:17 -188.544515 0.5018 BFGS: 27 11:25:18 -188.537941 0.1299 BFGS: 28 11:25:19 -188.538537 0.0918 BFGS: 29 11:25:20 -188.539771 0.1067 BFGS: 30 11:25:21 -188.541071 0.1373 BFGS: 31 11:25:21 -188.544213 0.1906 BFGS: 32 11:25:22 -188.547264 0.1868 BFGS: 33 11:25:22 -188.549090 0.0981 BFGS: 34 11:25:23 -188.549726 0.0511 BFGS: 35 11:25:23 -188.550061 0.0686 BFGS: 36 11:25:24 -188.550290 0.0696 BFGS: 37 11:25:25 -188.550449 0.0530 BFGS: 38 11:25:25 -188.550518 0.0434 BFGS: 39 11:25:26 -188.550564 0.0473 BFGS: 40 11:25:27 -188.550657 0.0518 BFGS: 41 11:25:27 -188.558936 0.4644 BFGS: 42 11:25:28 -188.550719 0.0507 BFGS: 43 11:25:28 -188.550751 0.0494 BFGS: 44 11:25:29 -188.559021 0.4626 BFGS: 45 11:25:29 -188.550795 0.0455 BFGS: 46 11:25:31 -188.550821 0.0445 BFGS: 47 11:25:32 -188.559476 0.5231 BFGS: 48 11:25:32 -188.558100 0.4642 BFGS: 49 11:25:33 -188.548722 0.1386 BFGS: 50 11:25:34 -188.549700 0.0701 BFGS: 51 11:25:34 -188.550619 0.0775 BFGS: 52 11:25:35 -188.557944 0.4871 BFGS: 53 11:25:35 -188.550773 0.0568 BFGS: 54 11:25:36 -188.550840 0.0510 BFGS: 55 11:25:36 -188.558386 0.4655 BFGS: 56 11:25:37 -188.554593 0.3970 BFGS: 57 11:25:38 -188.551934 0.5649 BFGS: 58 11:25:38 -188.550284 0.1658 BFGS: 59 11:25:39 -188.554444 0.4305 BFGS: 60 11:25:39 -188.550633 0.1091 BFGS: 61 11:25:40 -188.550773 0.0839 BFGS: 62 11:25:40 -188.558945 0.5127 BFGS: 63 11:25:41 -188.550901 0.0563 BFGS: 64 11:25:42 -188.550973 0.0453 BFGS: 65 11:25:43 -188.557860 0.5881 BFGS: 66 11:25:44 -188.554528 0.4224 BFGS: 67 11:25:45 -188.549428 0.2537 BFGS: 68 11:25:46 -188.550437 0.1462 BFGS: 69 11:25:46 -188.558823 0.5397 BFGS: 70 11:25:47 -188.550850 0.0815 BFGS: 71 11:25:48 -188.551006 0.0496 BFGS: 72 11:25:49 -188.558497 0.5711 BFGS: 73 11:25:49 -188.554676 0.4149 BFGS: 74 11:25:50 -188.549215 0.2794 BFGS: 75 11:25:51 -188.550468 0.1498 BFGS: 76 11:25:52 -188.555357 0.5329 BFGS: 77 11:25:52 -188.550923 0.0841 BFGS: 78 11:25:53 -188.551099 0.0520 BFGS: 79 11:25:53 -188.558263 0.5897 BFGS: 80 11:25:54 -188.554697 0.4204 BFGS: 81 11:25:55 -188.553237 0.5904 BFGS: 82 11:25:55 -188.550585 0.1336 BFGS: 83 11:25:56 -188.554922 0.5643 BFGS: 84 11:25:57 -188.551066 0.0707 BFGS: 85 11:25:58 -188.554920 0.3978 BFGS: 86 11:25:59 -188.551155 0.0599 BFGS: 87 11:25:59 -188.551206 0.0547 BFGS: 88 11:26:00 -188.557553 0.8265 BFGS: 89 11:26:01 -188.559439 0.4792 BFGS: 90 11:26:01 -188.549822 0.1596 BFGS: 91 11:26:01 -188.550743 0.0996 BFGS: 92 11:26:02 -188.558348 0.7976 BFGS: 93 11:26:03 -188.555072 0.3971 BFGS: 94 11:26:03 -188.550498 0.1244 BFGS: 95 11:26:04 -188.551045 0.0820 BFGS: 96 11:26:05 -188.558050 0.8158 BFGS: 97 11:26:06 -188.558667 0.4685 BFGS: 98 11:26:07 -188.549642 0.1788 BFGS: 99 11:26:08 -188.550696 0.1100 BFGS: 100 11:26:09 -188.558703 0.7904 BFGS: 101 11:26:10 -188.551465 0.0442 BFGS: 102 11:26:10 -188.559452 0.4622 BFGS: 103 11:26:11 -188.555213 0.4132 BFGS: 104 11:26:12 -188.550830 0.1185 BFGS: 105 11:26:12 -188.551292 0.0776 BFGS: 106 11:26:13 -188.558968 0.7290 BFGS: 107 11:26:13 -188.555284 0.4154 BFGS: 108 11:26:13 -188.550728 0.1368 BFGS: 109 11:26:14 -188.551343 0.0850 BFGS: 110 11:26:15 -188.559004 0.7300 BFGS: 111 11:26:15 -188.555417 0.4102 BFGS: 112 11:26:16 -188.550833 0.1406 BFGS: 113 11:26:18 -188.551447 0.0871 BFGS: 114 11:26:19 -188.559039 0.7336 BFGS: 115 11:26:20 -188.555523 0.4097 BFGS: 116 11:26:21 -188.550958 0.1411 BFGS: 117 11:26:22 -188.551569 0.0874 BFGS: 118 11:26:22 -188.560000 0.7360 BFGS: 119 11:26:23 -188.555624 0.4110 BFGS: 120 11:26:24 -188.551086 0.1419 BFGS: 121 11:26:24 -188.551701 0.0875 BFGS: 122 11:26:25 -188.560024 0.7394 BFGS: 123 11:26:26 -188.555731 0.4119 BFGS: 124 11:26:26 -188.551231 0.1411 BFGS: 125 11:26:27 -188.551836 0.0874 BFGS: 126 11:26:28 -188.560956 0.6916 BFGS: 127 11:26:29 -188.555909 0.4042 BFGS: 128 11:26:30 -188.551418 0.1398 BFGS: 129 11:26:31 -188.551966 0.0881 BFGS: 130 11:26:31 -188.560833 0.7053 BFGS: 131 11:26:32 -188.559688 0.4651 BFGS: 132 11:26:32 -188.550991 0.1748 BFGS: 133 11:26:33 -188.551840 0.1075 BFGS: 134 11:26:34 -188.560761 0.7159 BFGS: 135 11:26:35 -188.552456 0.0466 BFGS: 136 11:26:36 -188.560524 0.4608 BFGS: 137 11:26:37 -188.556233 0.4071 BFGS: 138 11:26:37 -188.551806 0.1509 BFGS: 139 11:26:38 -188.552289 0.0949 BFGS: 140 11:26:39 -188.560607 0.7040 BFGS: 141 11:26:40 -188.552762 0.0410 BFGS: 142 11:26:40 -188.556223 0.4424 BFGS: 143 11:26:41 -188.556487 0.4138 BFGS: 144 11:26:42 -188.551346 0.2649 BFGS: 145 11:26:42 -188.552396 0.1546 BFGS: 146 11:26:43 -188.560832 0.5416 BFGS: 147 11:26:43 -188.552991 0.0905 BFGS: 148 11:26:44 -188.553255 0.0597 BFGS: 149 11:26:45 -188.561268 0.7578 BFGS: 150 11:26:45 -188.560676 0.4734 BFGS: 151 11:26:46 -188.552343 0.1778 BFGS: 152 11:26:47 -188.553153 0.1203 BFGS: 153 11:26:48 -188.561524 0.7626 BFGS: 154 11:26:48 -188.557503 0.4306 BFGS: 155 11:26:49 -188.557671 0.4189 BFGS: 156 11:26:50 -188.561716 0.5488 BFGS: 157 11:26:51 -188.561386 0.4734 BFGS: 158 11:26:51 -188.552997 0.1641 BFGS: 159 11:26:52 -188.553837 0.1171 BFGS: 160 11:26:52 -188.563463 0.6881 BFGS: 161 11:26:53 -188.554476 0.0766 BFGS: 162 11:26:54 -188.558431 0.4246 BFGS: 163 11:26:54 -188.561933 0.4775 BFGS: 164 11:26:55 -188.558713 0.4211 BFGS: 165 11:26:55 -188.555267 0.0395 BFGS: 166 11:26:56 -188.564063 0.4557 BFGS: 167 11:26:57 -188.559305 0.4164 BFGS: 168 11:26:57 -188.559414 0.4210 BFGS: 169 11:26:58 -188.563364 0.4715 BFGS: 170 11:26:58 -188.556298 0.0399 BFGS: 171 11:26:59 -188.560167 0.4069 BFGS: 172 11:27:00 -188.556569 0.0424 BFGS: 173 11:27:00 -188.565121 0.4867 BFGS: 174 11:27:01 -188.556656 0.0413 BFGS: 175 11:27:02 -188.564034 0.4677 BFGS: 176 11:27:03 -188.564138 0.4629 BFGS: 177 11:27:04 -188.556807 0.0375 BFGS: 178 11:27:04 -188.556828 0.0403 BFGS: 179 11:27:05 -188.560449 0.4246 BFGS: 180 11:27:06 -188.556864 0.0433 BFGS: 181 11:27:07 -188.560551 0.4139 BFGS: 182 11:27:08 -188.564103 0.4697 BFGS: 183 11:27:09 -188.556897 0.0380 BFGS: 184 11:27:10 -188.556907 0.0368 BFGS: 185 11:27:11 -188.563776 0.4832 BFGS: 186 11:27:12 -188.560561 0.4015 BFGS: 187 11:27:13 -188.556868 0.0433 BFGS: 188 11:27:13 -188.556898 0.0428 BFGS: 189 11:27:14 -188.563818 0.4871 BFGS: 190 11:27:15 -188.556938 0.0393 BFGS: 191 11:27:15 -188.560609 0.3989 BFGS: 192 11:27:16 -188.556960 0.0373 BFGS: 193 11:27:16 -188.556975 0.0367 BFGS: 194 11:27:17 -188.563967 0.4764 BFGS: 195 11:27:17 -188.560698 0.3967 BFGS: 196 11:27:18 -188.557049 0.0386 BFGS: 197 11:27:19 -188.560780 0.4147 BFGS: 198 11:27:19 -188.564475 0.4687 BFGS: 199 11:27:20 -188.557157 0.0422 BFGS: 200 11:27:20 -188.557174 0.0419 BFGS: 201 11:27:21 -188.557207 0.0451 BFGS: 202 11:27:21 -188.557221 0.0456 BFGS: 203 11:27:21 -188.560931 0.4289 BFGS: 204 11:27:22 -188.557260 0.0496 BFGS: 205 11:27:23 -188.557293 0.0489 BFGS: 206 11:27:24 -188.557300 0.0488 BFGS: 207 11:27:24 -188.557317 0.0451 BFGS: 208 11:27:25 -188.557366 0.0318 BFGS: 209 11:27:26 -188.557413 0.0312 BFGS: 210 11:27:26 -188.557494 0.0307 BFGS: 211 11:27:27 -188.557518 0.0331 BFGS: 212 11:27:28 -188.557578 0.0387 BFGS: 213 11:27:29 -188.557594 0.0375 BFGS: 214 11:27:29 -188.557611 0.0354 BFGS: 215 11:27:30 -188.557623 0.0332 BFGS: 216 11:27:31 -188.561321 0.4178 BFGS: 217 11:27:32 -188.560814 0.4813 BFGS: 218 11:27:33 -188.557682 0.0329 BFGS: 219 11:27:34 -188.557701 0.0337 BFGS: 220 11:27:34 -188.561446 0.4124 BFGS: 221 11:27:35 -188.561482 0.4109 BFGS: 222 11:27:36 -188.561581 0.4103 BFGS: 223 11:27:37 -188.561647 0.4090 BFGS: 224 11:27:37 -188.561792 0.4062 BFGS: 225 11:27:38 -188.561903 0.4023 BFGS: 226 11:27:38 -188.565660 0.4813 BFGS: 227 11:27:39 -188.557970 0.0462 BFGS: 228 11:27:40 -188.558348 0.0431 BFGS: 229 11:27:40 -188.565553 0.4726 BFGS: 230 11:27:41 -188.565820 0.4633 BFGS: 231 11:27:42 -188.558321 0.0414 BFGS: 232 11:27:43 -188.558449 0.0432 BFGS: 233 11:27:44 -188.567042 0.4688 BFGS: 234 11:27:44 -188.565824 0.4720 BFGS: 235 11:27:45 -188.558287 0.0419 BFGS: 236 11:27:46 -188.558471 0.0491 BFGS: 237 11:27:46 -188.567490 0.5094 BFGS: 238 11:27:47 -188.565872 0.4731 BFGS: 239 11:27:47 -188.558312 0.0459 BFGS: 240 11:27:48 -188.558493 0.0536 BFGS: 241 11:27:49 -188.567597 0.5165 BFGS: 242 11:27:49 -188.565924 0.4718 BFGS: 243 11:27:50 -188.558309 0.0499 BFGS: 244 11:27:50 -188.558499 0.0581 BFGS: 245 11:27:51 -188.567702 0.5190 BFGS: 246 11:27:51 -188.562261 0.4373 BFGS: 247 11:27:52 -188.562300 0.4384 BFGS: 248 11:27:52 -188.565968 0.4645 BFGS: 249 11:27:53 -188.558518 0.0408 BFGS: 250 11:27:53 -188.558646 0.0512 BFGS: 251 11:27:54 -188.565719 0.4834 BFGS: 252 11:27:54 -188.562315 0.4331 BFGS: 253 11:27:55 -188.562303 0.3933 BFGS: 254 11:27:55 -188.562379 0.4215 BFGS: 255 11:27:56 -188.558706 0.0525 BFGS: 256 11:27:56 -188.558753 0.0522 BFGS: 257 11:27:57 -188.568012 0.4935 BFGS: 258 11:27:57 -188.566177 0.4790 BFGS: 259 11:27:59 -188.562642 0.4174 BFGS: 260 11:27:59 -188.566402 0.4691 BFGS: 261 11:28:00 -188.566869 0.4761 BFGS: 262 11:28:01 -188.563350 0.4215 BFGS: 263 11:28:01 -188.564559 0.4149 BFGS: 264 11:28:02 -188.568747 0.4904 BFGS: 265 11:28:03 -188.565574 0.4107 BFGS: 266 11:28:03 -188.565593 0.3931 BFGS: 267 11:28:04 -188.565120 0.4396 BFGS: 268 11:28:04 -188.561361 0.0559 BFGS: 269 11:28:05 -188.561738 0.0467 BFGS: 270 11:28:06 -188.569451 0.5111 BFGS: 271 11:28:07 -188.566365 0.4402 BFGS: 272 11:28:08 -188.561975 0.0472 BFGS: 273 11:28:08 -188.565855 0.4402 BFGS: 274 11:28:09 -188.562305 0.0427 BFGS: 275 11:28:09 -188.566078 0.4488 BFGS: 276 11:28:10 -188.562483 0.0695 BFGS: 277 11:28:11 -188.566174 0.4375 BFGS: 278 11:28:12 -188.566210 0.4390 BFGS: 279 11:28:13 -188.566249 0.4318 BFGS: 280 11:28:13 -188.562606 0.0502 BFGS: 281 11:28:14 -188.562641 0.0444 BFGS: 282 11:28:14 -188.562741 0.0503 BFGS: 283 11:28:15 -188.562790 0.0498 BFGS: 284 11:28:15 -188.570785 0.4985 BFGS: 285 11:28:16 -188.563105 0.0836 BFGS: 286 11:28:16 -188.566871 0.4393 BFGS: 287 11:28:17 -188.563283 0.0645 BFGS: 288 11:28:18 -188.563391 0.0673 BFGS: 289 11:28:18 -188.566867 0.4762 BFGS: 290 11:28:19 -188.567139 0.4698 BFGS: 291 11:28:19 -188.567223 0.4565 BFGS: 292 11:28:20 -188.563431 0.0660 BFGS: 293 11:28:20 -188.563561 0.0736 BFGS: 294 11:28:20 -188.567923 0.4993 BFGS: 295 11:28:21 -188.567311 0.4886 BFGS: 296 11:28:22 -188.563483 0.0610 BFGS: 297 11:28:23 -188.563695 0.0763 BFGS: 298 11:28:23 -188.568061 0.5379 BFGS: 299 11:28:24 -188.567369 0.4990 BFGS: 300 11:28:25 -188.563518 0.0558 BFGS: 301 11:28:26 -188.563773 0.0773 BFGS: 302 11:28:27 -188.568382 0.5680 BFGS: 303 11:28:28 -188.567441 0.5049 BFGS: 304 11:28:28 -188.563554 0.0512 BFGS: 305 11:28:29 -188.563859 0.0785 BFGS: 306 11:28:30 -188.568302 0.5876 BFGS: 307 11:28:30 -188.567529 0.5104 BFGS: 308 11:28:31 -188.563592 0.0460 BFGS: 309 11:28:32 -188.563959 0.0797 BFGS: 310 11:28:32 -188.568244 0.6067 BFGS: 311 11:28:33 -188.567644 0.5154 BFGS: 312 11:28:34 -188.563660 0.0419 BFGS: 313 11:28:34 -188.564082 0.0810 BFGS: 314 11:28:35 -188.568213 0.6258 BFGS: 315 11:28:35 -188.567789 0.5202 BFGS: 316 11:28:36 -188.563765 0.0391 BFGS: 317 11:28:37 -188.564234 0.0824 BFGS: 318 11:28:38 -188.568209 0.6450 BFGS: 319 11:28:39 -188.567973 0.5247 BFGS: 320 11:28:40 -188.563915 0.0388 BFGS: 321 11:28:40 -188.564423 0.0839 BFGS: 322 11:28:41 -188.568229 0.6652 BFGS: 323 11:28:42 -188.568207 0.5289 BFGS: 324 11:28:42 -188.564124 0.0384 BFGS: 325 11:28:43 -188.564662 0.0856 BFGS: 326 11:28:44 -188.569682 0.6630 BFGS: 327 11:28:45 -188.568488 0.5356 BFGS: 328 11:28:46 -188.564299 0.0393 BFGS: 329 11:28:47 -188.564944 0.0853 BFGS: 330 11:28:48 -188.569978 0.7566 BFGS: 331 11:28:48 -188.568932 0.5292 BFGS: 332 11:28:49 -188.564916 0.0539 BFGS: 333 11:28:50 -188.565379 0.0902 BFGS: 334 11:28:51 -188.573299 0.8038 BFGS: 335 11:28:52 -188.569433 0.5379 BFGS: 336 11:28:53 -188.565525 0.0592 BFGS: 337 11:28:54 -188.565989 0.0967 BFGS: 338 11:28:54 -188.570406 0.6861 BFGS: 339 11:28:55 -188.570236 0.5455 BFGS: 340 11:28:56 -188.566261 0.0385 BFGS: 341 11:28:57 -188.566925 0.0761 BFGS: 342 11:28:58 -188.572134 0.6202 BFGS: 343 11:28:58 -188.571687 0.5070 BFGS: 344 11:28:59 -188.567333 0.0568 BFGS: 345 11:29:00 -188.568119 0.0351 BFGS: 346 11:29:00 -188.578112 0.5551 BFGS: 347 11:29:01 -188.568798 0.0362 BFGS: 348 11:29:02 -188.569147 0.0351 BFGS: 349 11:29:03 -188.578372 0.5227 BFGS: 350 11:29:03 -188.572883 0.4187 BFGS: 351 11:29:04 -188.569045 0.0608 BFGS: 352 11:29:05 -188.569248 0.0479 BFGS: 353 11:29:05 -188.577641 0.5394 BFGS: 354 11:29:06 -188.572953 0.4150 BFGS: 355 11:29:06 -188.569135 0.0736 BFGS: 356 11:29:06 -188.569364 0.0583 BFGS: 357 11:29:07 -188.578510 0.6314 BFGS: 358 11:29:08 -188.572920 0.4218 BFGS: 359 11:29:08 -188.569202 0.0853 BFGS: 360 11:29:09 -188.569447 0.0622 BFGS: 361 11:29:09 -188.577536 0.6982 BFGS: 362 11:29:10 -188.573792 0.4066 BFGS: 363 11:29:10 -188.569288 0.0884 BFGS: 364 11:29:11 -188.573130 0.3812 BFGS: 365 11:29:12 -188.569443 0.0737 BFGS: 366 11:29:12 -188.569500 0.0687 BFGS: 367 11:29:13 -188.577607 0.6897 BFGS: 368 11:29:14 -188.577473 0.4885 BFGS: 369 11:29:14 -188.569261 0.0583 BFGS: 370 11:29:15 -188.569405 0.0405 BFGS: 371 11:29:16 -188.577992 0.6939 BFGS: 372 11:29:17 -188.572954 0.4375 BFGS: 373 11:29:17 -188.569418 0.0676 BFGS: 374 11:29:18 -188.569491 0.0473 BFGS: 375 11:29:19 -188.577759 0.6975 BFGS: 376 11:29:19 -188.572941 0.4371 BFGS: 377 11:29:20 -188.569282 0.0792 BFGS: 378 11:29:20 -188.569539 0.0531 BFGS: 379 11:29:21 -188.578093 0.6728 BFGS: 380 11:29:22 -188.573874 0.4117 BFGS: 381 11:29:22 -188.569359 0.0824 BFGS: 382 11:29:23 -188.573221 0.3847 BFGS: 383 11:29:24 -188.569508 0.0672 BFGS: 384 11:29:24 -188.569563 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0.4796 BFGS: 4663 11:56:23 -188.590238 0.4395 BFGS: 4664 11:56:23 -188.586002 0.0927 BFGS: 4665 11:56:24 -188.586047 0.0787 BFGS: 4666 11:56:24 -188.590204 0.4421 BFGS: 4667 11:56:24 -188.586074 0.0687 BFGS: 4668 11:56:24 -188.589758 0.3655 BFGS: 4669 11:56:25 -188.586077 0.0676 BFGS: 4670 11:56:25 -188.586079 0.0666 BFGS: 4671 11:56:25 -188.590198 0.4428 BFGS: 4672 11:56:25 -188.589737 0.3716 BFGS: 4673 11:56:26 -188.589196 0.5302 BFGS: 4674 11:56:26 -188.589537 0.4795 BFGS: 4675 11:56:26 -188.590238 0.4395 BFGS: 4676 11:56:26 -188.586002 0.0927 BFGS: 4677 11:56:27 -188.586047 0.0787 BFGS: 4678 11:56:27 -188.590205 0.4421 BFGS: 4679 11:56:27 -188.586074 0.0687 BFGS: 4680 11:56:27 -188.589759 0.3653 BFGS: 4681 11:56:28 -188.586077 0.0676 BFGS: 4682 11:56:28 -188.586079 0.0666 BFGS: 4683 11:56:28 -188.590199 0.4427 BFGS: 4684 11:56:29 -188.589737 0.3715 BFGS: 4685 11:56:29 -188.589196 0.5302 BFGS: 4686 11:56:29 -188.589537 0.4793 BFGS: 4687 11:56:29 -188.590238 0.4395 BFGS: 4688 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0.0702 BFGS: 4816 11:57:08 -188.590220 0.4405 BFGS: 4817 11:57:08 -188.586090 0.0624 BFGS: 4818 11:57:08 -188.589690 0.3787 BFGS: 4819 11:57:08 -188.589754 0.3669 BFGS: 4820 11:57:08 -188.589294 0.5168 BFGS: 4821 11:57:08 -188.585885 0.1231 BFGS: 4822 11:57:08 -188.586072 0.0708 BFGS: 4823 11:57:08 -188.590222 0.4408 BFGS: 4824 11:57:08 -188.586089 0.0628 BFGS: 4825 11:57:08 -188.589696 0.3780 BFGS: 4826 11:57:08 -188.589761 0.3625 BFGS: 4827 11:57:08 -188.589329 0.5119 BFGS: 4828 11:57:08 -188.585895 0.1212 BFGS: 4829 11:57:08 -188.586071 0.0711 BFGS: 4830 11:57:08 -188.590226 0.4410 BFGS: 4831 11:57:08 -188.586089 0.0630 BFGS: 4832 11:57:09 -188.589700 0.3776 BFGS: 4833 11:57:09 -188.586090 0.0620 BFGS: 4834 11:57:09 -188.589756 0.3665 BFGS: 4835 11:57:09 -188.586091 0.0617 BFGS: 4836 11:57:09 -188.586091 0.0616 BFGS: 4837 11:57:09 -188.589374 0.4047 BFGS: 4838 11:57:09 -188.589737 0.3725 BFGS: 4839 11:57:09 -188.586023 0.0943 BFGS: 4840 11:57:09 -188.586048 0.0838 BFGS: 4841 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0.4400 BFGS: 5020 11:57:52 -188.586091 0.0623 BFGS: 5021 11:57:52 -188.589692 0.3786 BFGS: 5022 11:57:52 -188.589755 0.3668 BFGS: 5023 11:57:52 -188.589352 0.5087 BFGS: 5024 11:57:52 -188.585896 0.1206 BFGS: 5025 11:57:52 -188.586072 0.0703 BFGS: 5026 11:57:52 -188.590229 0.4405 BFGS: 5027 11:57:52 -188.586089 0.0625 BFGS: 5028 11:57:52 -188.589698 0.3780 BFGS: 5029 11:57:52 -188.589762 0.3612 BFGS: 5030 11:57:52 -188.589387 0.5034 BFGS: 5031 11:57:52 -188.585907 0.1184 BFGS: 5032 11:57:52 -188.586072 0.0704 BFGS: 5033 11:57:52 -188.590233 0.4407 BFGS: 5034 11:57:52 -188.586089 0.0625 BFGS: 5035 11:57:52 -188.589701 0.3778 BFGS: 5036 11:57:52 -188.586091 0.0616 BFGS: 5037 11:57:52 -188.589756 0.3667 BFGS: 5038 11:57:53 -188.586091 0.0614 BFGS: 5039 11:57:53 -188.586091 0.0613 BFGS: 5040 11:57:53 -188.589427 0.3959 BFGS: 5041 11:57:53 -188.589742 0.3715 BFGS: 5042 11:57:53 -188.586053 0.0800 BFGS: 5043 11:57:53 -188.586067 0.0740 BFGS: 5044 11:57:53 -188.589715 0.3785 BFGS: 5045 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0.0748 BFGS: 5071 11:57:54 -188.586061 0.0711 BFGS: 5072 11:57:54 -188.589617 0.3826 BFGS: 5073 11:57:54 -188.586072 0.0686 BFGS: 5074 11:57:54 -188.586078 0.0668 BFGS: 5075 11:57:54 -188.589581 0.3864 BFGS: 5076 11:57:54 -188.586083 0.0650 BFGS: 5077 11:57:54 -188.586086 0.0636 BFGS: 5078 11:57:55 -188.589315 0.3970 BFGS: 5079 11:57:55 -188.589746 0.3678 BFGS: 5080 11:57:55 -188.586130 0.0940 BFGS: 5081 11:57:55 -188.586012 0.0854 BFGS: 5082 11:57:56 -188.589611 0.3830 BFGS: 5083 11:57:56 -188.586042 0.0791 BFGS: 5084 11:57:56 -188.586059 0.0747 BFGS: 5085 11:57:56 -188.589503 0.3940 BFGS: 5086 11:57:57 -188.586071 0.0706 BFGS: 5087 11:57:57 -188.586079 0.0675 BFGS: 5088 11:57:57 -188.589277 0.4014 BFGS: 5089 11:57:57 -188.586085 0.0645 BFGS: 5090 11:57:58 -188.589747 0.3672 BFGS: 5091 11:57:58 -188.586086 0.0639 BFGS: 5092 11:57:58 -188.586086 0.0635 BFGS: 5093 11:57:58 -188.589372 0.4270 BFGS: 5094 11:57:58 -188.589727 0.3739 BFGS: 5095 11:57:59 -188.588923 0.5141 BFGS: 5096 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0.0824 BFGS: 5173 11:58:18 -188.590166 0.4044 BFGS: 5174 11:58:18 -188.586065 0.0728 BFGS: 5175 11:58:18 -188.586083 0.0658 BFGS: 5176 11:58:18 -188.590262 0.4365 BFGS: 5177 11:58:18 -188.589734 0.3719 BFGS: 5178 11:58:18 -188.585889 0.1211 BFGS: 5179 11:58:18 -188.585960 0.1049 BFGS: 5180 11:58:19 -188.589541 0.3971 BFGS: 5181 11:58:19 -188.586008 0.0918 BFGS: 5182 11:58:19 -188.586037 0.0828 BFGS: 5183 11:58:19 -188.590119 0.4107 BFGS: 5184 11:58:19 -188.586066 0.0724 BFGS: 5185 11:58:19 -188.586084 0.0649 BFGS: 5186 11:58:19 -188.590250 0.4389 BFGS: 5187 11:58:19 -188.589728 0.3734 BFGS: 5188 11:58:19 -188.585871 0.1259 BFGS: 5189 11:58:19 -188.585950 0.1077 BFGS: 5190 11:58:19 -188.589510 0.4013 BFGS: 5191 11:58:19 -188.586004 0.0932 BFGS: 5192 11:58:19 -188.586035 0.0833 BFGS: 5193 11:58:19 -188.590281 0.4364 BFGS: 5194 11:58:19 -188.586065 0.0725 BFGS: 5195 11:58:19 -188.586084 0.0647 BFGS: 5196 11:58:19 -188.590239 0.4406 BFGS: 5197 11:58:19 -188.589726 0.3739 BFGS: 5198 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0.0653 BFGS: 5224 11:58:21 -188.586085 0.0641 BFGS: 5225 11:58:21 -188.589699 0.3773 BFGS: 5226 11:58:21 -188.586088 0.0627 BFGS: 5227 11:58:21 -188.586089 0.0618 BFGS: 5228 11:58:21 -188.589676 0.3803 BFGS: 5229 11:58:21 -188.589756 0.3664 BFGS: 5230 11:58:21 -188.586073 0.0685 BFGS: 5231 11:58:21 -188.586079 0.0666 BFGS: 5232 11:58:21 -188.589742 0.3701 BFGS: 5233 11:58:21 -188.586083 0.0651 BFGS: 5234 11:58:22 -188.586085 0.0641 BFGS: 5235 11:58:22 -188.589709 0.3754 BFGS: 5236 11:58:22 -188.586087 0.0630 BFGS: 5237 11:58:22 -188.586088 0.0622 BFGS: 5238 11:58:22 -188.589699 0.3772 BFGS: 5239 11:58:22 -188.586089 0.0614 BFGS: 5240 11:58:22 -188.589757 0.3657 BFGS: 5241 11:58:22 -188.586089 0.0613 BFGS: 5242 11:58:22 -188.586089 0.0612 BFGS: 5243 11:58:22 -188.589611 0.3934 BFGS: 5244 11:58:22 -188.589745 0.3706 BFGS: 5245 11:58:22 -188.585889 0.1146 BFGS: 5246 11:58:22 -188.586002 0.0919 BFGS: 5247 11:58:22 -188.589655 0.3889 BFGS: 5248 11:58:22 -188.586047 0.0788 BFGS: 5249 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0.4148 BFGS: 5326 11:58:26 -188.589752 0.3684 BFGS: 5327 11:58:26 -188.585891 0.1246 BFGS: 5328 11:58:26 -188.585962 0.1066 BFGS: 5329 11:58:26 -188.589566 0.3967 BFGS: 5330 11:58:26 -188.586008 0.0926 BFGS: 5331 11:58:26 -188.586035 0.0831 BFGS: 5332 11:58:26 -188.590148 0.4111 BFGS: 5333 11:58:26 -188.586062 0.0724 BFGS: 5334 11:58:26 -188.586078 0.0647 BFGS: 5335 11:58:26 -188.590256 0.4173 BFGS: 5336 11:58:26 -188.589745 0.3709 BFGS: 5337 11:58:26 -188.585877 0.1278 BFGS: 5338 11:58:26 -188.585954 0.1086 BFGS: 5339 11:58:27 -188.589538 0.4001 BFGS: 5340 11:58:27 -188.586004 0.0936 BFGS: 5341 11:58:27 -188.586034 0.0835 BFGS: 5342 11:58:27 -188.590263 0.4167 BFGS: 5343 11:58:28 -188.586062 0.0722 BFGS: 5344 11:58:28 -188.586079 0.0641 BFGS: 5345 11:58:28 -188.590234 0.4195 BFGS: 5346 11:58:28 -188.589737 0.3728 BFGS: 5347 11:58:28 -188.585856 0.1326 BFGS: 5348 11:58:28 -188.585943 0.1115 BFGS: 5349 11:58:28 -188.589502 0.4043 BFGS: 5350 11:58:29 -188.586000 0.0950 BFGS: 5351 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0.3804 BFGS: 5377 11:58:31 -188.589240 0.5214 BFGS: 5378 11:58:31 -188.585858 0.1267 BFGS: 5379 11:58:31 -188.586083 0.0621 BFGS: 5380 11:58:31 -188.590584 0.4417 BFGS: 5381 11:58:31 -188.589718 0.3766 BFGS: 5382 11:58:31 -188.589338 0.5068 BFGS: 5383 11:58:32 -188.585884 0.1217 BFGS: 5384 11:58:32 -188.586080 0.0638 BFGS: 5385 11:58:32 -188.590588 0.4410 BFGS: 5386 11:58:33 -188.589735 0.3735 BFGS: 5387 11:58:33 -188.589400 0.4976 BFGS: 5388 11:58:33 -188.585901 0.1181 BFGS: 5389 11:58:33 -188.586078 0.0655 BFGS: 5390 11:58:34 -188.590593 0.4400 BFGS: 5391 11:58:34 -188.589749 0.3701 BFGS: 5392 11:58:34 -188.589437 0.4904 BFGS: 5393 11:58:35 -188.585912 0.1159 BFGS: 5394 11:58:35 -188.586076 0.0666 BFGS: 5395 11:58:35 -188.590597 0.4395 BFGS: 5396 11:58:35 -188.589758 0.3667 BFGS: 5397 11:58:36 -188.585773 0.1453 BFGS: 5398 11:58:36 -188.585901 0.1191 BFGS: 5399 11:58:37 -188.589491 0.4045 BFGS: 5400 11:58:37 -188.585978 0.0999 BFGS: 5401 11:58:37 -188.586020 0.0875 BFGS: 5402 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0.4997 BFGS: 5428 11:58:45 -188.585901 0.1196 BFGS: 5429 11:58:45 -188.586076 0.0674 BFGS: 5430 11:58:46 -188.590404 0.4413 BFGS: 5431 11:58:46 -188.589757 0.3669 BFGS: 5432 11:58:46 -188.589402 0.4992 BFGS: 5433 11:58:46 -188.585900 0.1199 BFGS: 5434 11:58:47 -188.586076 0.0673 BFGS: 5435 11:58:47 -188.590402 0.4416 BFGS: 5436 11:58:47 -188.589757 0.3672 BFGS: 5437 11:58:48 -188.589401 0.4992 BFGS: 5438 11:58:48 -188.585900 0.1201 BFGS: 5439 11:58:48 -188.586077 0.0672 BFGS: 5440 11:58:48 -188.590228 0.4418 BFGS: 5441 11:58:49 -188.589756 0.3673 BFGS: 5442 11:58:49 -188.589405 0.4994 BFGS: 5443 11:58:49 -188.585901 0.1197 BFGS: 5444 11:58:49 -188.586077 0.0674 BFGS: 5445 11:58:50 -188.590399 0.4417 BFGS: 5446 11:58:50 -188.589756 0.3673 BFGS: 5447 11:58:51 -188.589399 0.4997 BFGS: 5448 11:58:51 -188.585899 0.1203 BFGS: 5449 11:58:51 -188.586077 0.0672 BFGS: 5450 11:58:51 -188.590225 0.4421 BFGS: 5451 11:58:52 -188.589755 0.3678 BFGS: 5452 11:58:52 -188.589402 0.5001 BFGS: 5453 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0.1219 BFGS: 5479 11:58:56 -188.586078 0.0666 BFGS: 5480 11:58:56 -188.590389 0.4430 BFGS: 5481 11:58:56 -188.589748 0.3699 BFGS: 5482 11:58:56 -188.589376 0.5032 BFGS: 5483 11:58:57 -188.585891 0.1224 BFGS: 5484 11:58:57 -188.586079 0.0664 BFGS: 5485 11:58:57 -188.590215 0.4433 BFGS: 5486 11:58:58 -188.589746 0.3703 BFGS: 5487 11:58:58 -188.589378 0.5039 BFGS: 5488 11:58:58 -188.585892 0.1221 BFGS: 5489 11:58:59 -188.586079 0.0665 BFGS: 5490 11:58:59 -188.590386 0.4431 BFGS: 5491 11:58:59 -188.589745 0.3705 BFGS: 5492 11:59:00 -188.589370 0.5045 BFGS: 5493 11:59:00 -188.585889 0.1229 BFGS: 5494 11:59:00 -188.586079 0.0662 BFGS: 5495 11:59:00 -188.590212 0.4435 BFGS: 5496 11:59:01 -188.589744 0.3709 BFGS: 5497 11:59:01 -188.589372 0.5049 BFGS: 5498 11:59:02 -188.585890 0.1226 BFGS: 5499 11:59:02 -188.586079 0.0663 BFGS: 5500 11:59:02 -188.590384 0.4434 BFGS: 5501 11:59:02 -188.589743 0.3711 BFGS: 5502 11:59:03 -188.589364 0.5054 BFGS: 5503 11:59:03 -188.585887 0.1234 BFGS: 5504 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0.0652 BFGS: 5530 11:59:12 -188.590206 0.4444 BFGS: 5531 11:59:12 -188.589735 0.3729 BFGS: 5532 11:59:12 -188.589352 0.5080 BFGS: 5533 11:59:12 -188.585883 0.1242 BFGS: 5534 11:59:12 -188.586081 0.0653 BFGS: 5535 11:59:12 -188.590378 0.4442 BFGS: 5536 11:59:12 -188.589734 0.3729 BFGS: 5537 11:59:12 -188.589344 0.5083 BFGS: 5538 11:59:13 -188.585881 0.1249 BFGS: 5539 11:59:13 -188.586081 0.0650 BFGS: 5540 11:59:13 -188.590205 0.4445 BFGS: 5541 11:59:13 -188.589733 0.3733 BFGS: 5542 11:59:13 -188.589348 0.5086 BFGS: 5543 11:59:14 -188.585882 0.1245 BFGS: 5544 11:59:14 -188.586081 0.0651 BFGS: 5545 11:59:14 -188.590376 0.4444 BFGS: 5546 11:59:14 -188.589733 0.3733 BFGS: 5547 11:59:15 -188.589341 0.5088 BFGS: 5548 11:59:15 -188.585880 0.1252 BFGS: 5549 11:59:16 -188.586082 0.0648 BFGS: 5550 11:59:16 -188.590376 0.4447 BFGS: 5551 11:59:16 -188.589731 0.3737 BFGS: 5552 11:59:16 -188.589337 0.5092 BFGS: 5553 11:59:17 -188.585878 0.1255 BFGS: 5554 11:59:17 -188.586082 0.0646 BFGS: 5555 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0.4452 BFGS: 5581 11:59:25 -188.589725 0.3748 BFGS: 5582 11:59:25 -188.589335 0.5105 BFGS: 5583 11:59:26 -188.585877 0.1255 BFGS: 5584 11:59:26 -188.586083 0.0643 BFGS: 5585 11:59:26 -188.590372 0.4450 BFGS: 5586 11:59:26 -188.589725 0.3747 BFGS: 5587 11:59:27 -188.589328 0.5106 BFGS: 5588 11:59:27 -188.585875 0.1262 BFGS: 5589 11:59:27 -188.586083 0.0640 BFGS: 5590 11:59:28 -188.590200 0.4453 BFGS: 5591 11:59:28 -188.589724 0.3750 BFGS: 5592 11:59:28 -188.589334 0.5106 BFGS: 5593 11:59:29 -188.585877 0.1256 BFGS: 5594 11:59:29 -188.586083 0.0642 BFGS: 5595 11:59:29 -188.590372 0.4451 BFGS: 5596 11:59:29 -188.589724 0.3749 BFGS: 5597 11:59:30 -188.589328 0.5107 BFGS: 5598 11:59:30 -188.585875 0.1262 BFGS: 5599 11:59:30 -188.586083 0.0639 BFGS: 5600 11:59:31 -188.590371 0.4453 BFGS: 5601 11:59:31 -188.589723 0.3753 BFGS: 5602 11:59:31 -188.589325 0.5108 BFGS: 5603 11:59:32 -188.585874 0.1264 BFGS: 5604 11:59:32 -188.586084 0.0637 BFGS: 5605 11:59:32 -188.590198 0.4455 BFGS: 5606 11:59:33 -188.589722 0.3755 BFGS: 5607 11:59:33 -188.589331 0.5110 BFGS: 5608 11:59:33 -188.585876 0.1259 BFGS: 5609 11:59:34 -188.586084 0.0639 BFGS: 5610 11:59:34 -188.590370 0.4452 BFGS: 5611 11:59:34 -188.589722 0.3754 BFGS: 5612 11:59:35 -188.589326 0.5110 BFGS: 5613 11:59:35 -188.585874 0.1264 BFGS: 5614 11:59:35 -188.586084 0.0637 BFGS: 5615 11:59:35 -188.590198 0.4455 BFGS: 5616 11:59:36 -188.589721 0.3756 BFGS: 5617 11:59:36 -188.589332 0.5110 BFGS: 5618 11:59:36 -188.585876 0.1258 BFGS: 5619 11:59:36 -188.586084 0.0638 BFGS: 5620 11:59:36 -188.590370 0.4453 BFGS: 5621 11:59:36 -188.589721 0.3755 BFGS: 5622 11:59:37 -188.589326 0.5110 BFGS: 5623 11:59:37 -188.585874 0.1264 BFGS: 5624 11:59:37 -188.586084 0.0636 BFGS: 5625 11:59:37 -188.590370 0.4455 BFGS: 5626 11:59:37 -188.589720 0.3758 BFGS: 5627 11:59:38 -188.589324 0.5110 BFGS: 5628 11:59:38 -188.585873 0.1266 BFGS: 5629 11:59:38 -188.586084 0.0634 BFGS: 5630 11:59:39 -188.590197 0.4457 BFGS: 5631 11:59:39 -188.589719 0.3760 BFGS: 5632 11:59:40 -188.589331 0.5111 BFGS: 5633 11:59:40 -188.585875 0.1260 BFGS: 5634 11:59:40 -188.586084 0.0636 BFGS: 5635 11:59:40 -188.590369 0.4454 BFGS: 5636 11:59:41 -188.589719 0.3758 BFGS: 5637 11:59:41 -188.589325 0.5111 BFGS: 5638 11:59:41 -188.585873 0.1266 BFGS: 5639 11:59:41 -188.586084 0.0634 BFGS: 5640 11:59:42 -188.590369 0.4457 BFGS: 5641 11:59:42 -188.589718 0.3761 BFGS: 5642 11:59:42 -188.589323 0.5111 BFGS: 5643 11:59:43 -188.585873 0.1267 BFGS: 5644 11:59:43 -188.586085 0.0632 BFGS: 5645 11:59:43 -188.590196 0.4458 BFGS: 5646 11:59:44 -188.589717 0.3763 BFGS: 5647 11:59:44 -188.589330 0.5111 BFGS: 5648 11:59:44 -188.585875 0.1260 BFGS: 5649 11:59:44 -188.586084 0.0634 BFGS: 5650 11:59:45 -188.590368 0.4456 BFGS: 5651 11:59:45 -188.589718 0.3761 BFGS: 5652 11:59:45 -188.589325 0.5111 BFGS: 5653 11:59:45 -188.585873 0.1266 BFGS: 5654 11:59:46 -188.586085 0.0632 BFGS: 5655 11:59:46 -188.590196 0.4458 BFGS: 5656 11:59:46 -188.589717 0.3764 BFGS: 5657 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0.5105 BFGS: 5683 11:59:51 -188.585875 0.1259 BFGS: 5684 11:59:51 -188.586085 0.0632 BFGS: 5685 11:59:51 -188.590367 0.4456 BFGS: 5686 11:59:51 -188.589715 0.3765 BFGS: 5687 11:59:51 -188.589330 0.5104 BFGS: 5688 11:59:52 -188.585874 0.1264 BFGS: 5689 11:59:52 -188.586085 0.0629 BFGS: 5690 11:59:52 -188.590367 0.4459 BFGS: 5691 11:59:52 -188.589714 0.3768 BFGS: 5692 11:59:52 -188.589329 0.5103 BFGS: 5693 11:59:52 -188.585873 0.1265 BFGS: 5694 11:59:52 -188.586085 0.0627 BFGS: 5695 11:59:52 -188.590195 0.4460 BFGS: 5696 11:59:52 -188.589713 0.3769 BFGS: 5697 11:59:53 -188.589336 0.5102 BFGS: 5698 11:59:53 -188.585876 0.1258 BFGS: 5699 11:59:53 -188.586085 0.0630 BFGS: 5700 11:59:53 -188.590367 0.4457 BFGS: 5701 11:59:53 -188.589714 0.3768 BFGS: 5702 11:59:53 -188.589331 0.5101 BFGS: 5703 11:59:53 -188.585874 0.1264 BFGS: 5704 11:59:53 -188.586085 0.0628 BFGS: 5705 11:59:53 -188.590366 0.4460 BFGS: 5706 11:59:53 -188.589713 0.3770 BFGS: 5707 11:59:53 -188.589330 0.5100 BFGS: 5708 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0.3736 BFGS: 8590 12:07:57 -188.586078 0.0615 BFGS: 8591 12:07:57 -188.586080 0.0610 BFGS: 8592 12:07:57 -188.590217 0.4282 BFGS: 8593 12:07:57 -188.589730 0.3749 BFGS: 8594 12:07:58 -188.584762 0.2095 BFGS: 8595 12:07:58 -188.585598 0.1428 BFGS: 8596 12:07:58 -188.589973 0.3920 BFGS: 8597 12:07:58 -188.585868 0.1118 BFGS: 8598 12:07:58 -188.585970 0.0951 BFGS: 8599 12:07:58 -188.589884 0.3989 BFGS: 8600 12:07:58 -188.586023 0.0836 BFGS: 8601 12:07:58 -188.586054 0.0754 BFGS: 8602 12:07:58 -188.590152 0.4321 BFGS: 8603 12:07:59 -188.586075 0.0681 BFGS: 8604 12:07:59 -188.589746 0.3673 BFGS: 8605 12:07:59 -188.586078 0.0668 BFGS: 8606 12:07:59 -188.586080 0.0657 BFGS: 8607 12:07:59 -188.590268 0.4441 BFGS: 8608 12:07:59 -188.589733 0.3733 BFGS: 8609 12:07:59 -188.584801 0.2953 BFGS: 8610 12:07:59 -188.585612 0.1833 BFGS: 8611 12:07:59 -188.589998 0.4159 BFGS: 8612 12:07:59 -188.585875 0.1283 BFGS: 8613 12:07:59 -188.585974 0.1004 BFGS: 8614 12:07:59 -188.589933 0.4227 BFGS: 8615 12:07:59 -188.586025 0.0828 BFGS: 8616 12:07:59 -188.586054 0.0710 BFGS: 8617 12:07:59 -188.590193 0.4522 BFGS: 8618 12:08:00 -188.586075 0.0621 BFGS: 8619 12:08:00 -188.589755 0.3715 BFGS: 8620 12:08:00 -188.586078 0.0615 BFGS: 8621 12:08:00 -188.586080 0.0611 BFGS: 8622 12:08:00 -188.589894 0.4023 BFGS: 8623 12:08:01 -188.589737 0.3736 BFGS: 8624 12:08:01 -188.585057 0.1770 BFGS: 8625 12:08:01 -188.585681 0.1284 BFGS: 8626 12:08:01 -188.590031 0.3850 BFGS: 8627 12:08:01 -188.585901 0.1044 BFGS: 8628 12:08:01 -188.585985 0.0910 BFGS: 8629 12:08:02 -188.589966 0.3902 BFGS: 8630 12:08:02 -188.586030 0.0816 BFGS: 8631 12:08:02 -188.586056 0.0748 BFGS: 8632 12:08:02 -188.590216 0.4254 BFGS: 8633 12:08:03 -188.586075 0.0682 BFGS: 8634 12:08:03 -188.589753 0.3651 BFGS: 8635 12:08:03 -188.586078 0.0669 BFGS: 8636 12:08:04 -188.586080 0.0659 BFGS: 8637 12:08:04 -188.589941 0.4192 BFGS: 8638 12:08:04 -188.589738 0.3722 BFGS: 8639 12:08:04 -188.584193 0.3544 BFGS: 8640 12:08:05 -188.585526 0.1972 BFGS: 8641 12:08:05 -188.589162 0.4301 BFGS: 8642 12:08:05 -188.585842 0.1364 BFGS: 8643 12:08:05 -188.585954 0.1067 BFGS: 8644 12:08:05 -188.590026 0.4141 BFGS: 8645 12:08:06 -188.586011 0.0875 BFGS: 8646 12:08:06 -188.586042 0.0751 BFGS: 8647 12:08:06 -188.589879 0.4270 BFGS: 8648 12:08:06 -188.586066 0.0654 BFGS: 8649 12:08:06 -188.586082 0.0582 BFGS: 8650 12:08:06 -188.590057 0.4615 BFGS: 8651 12:08:06 -188.589707 0.3817 BFGS: 8652 12:08:06 -188.584537 0.3137 BFGS: 8653 12:08:06 -188.585502 0.1925 BFGS: 8654 12:08:06 -188.590215 0.4478 BFGS: 8655 12:08:06 -188.585814 0.1355 BFGS: 8656 12:08:06 -188.585941 0.1052 BFGS: 8657 12:08:06 -188.590060 0.4605 BFGS: 8658 12:08:07 -188.586011 0.0852 BFGS: 8659 12:08:07 -188.586051 0.0717 BFGS: 8660 12:08:07 -188.590396 0.4746 BFGS: 8661 12:08:07 -188.586077 0.0619 BFGS: 8662 12:08:07 -188.589727 0.3774 BFGS: 8663 12:08:07 -188.586080 0.0611 BFGS: 8664 12:08:07 -188.586082 0.0605 BFGS: 8665 12:08:07 -188.590208 0.4300 BFGS: 8666 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0.0642 BFGS: 8692 12:08:09 -188.586084 0.0574 BFGS: 8693 12:08:09 -188.590077 0.4601 BFGS: 8694 12:08:09 -188.589697 0.3830 BFGS: 8695 12:08:09 -188.584704 0.3169 BFGS: 8696 12:08:09 -188.585505 0.1934 BFGS: 8697 12:08:09 -188.590233 0.4466 BFGS: 8698 12:08:09 -188.585816 0.1360 BFGS: 8699 12:08:09 -188.585941 0.1055 BFGS: 8700 12:08:09 -188.590083 0.4592 BFGS: 8701 12:08:09 -188.586010 0.0855 BFGS: 8702 12:08:09 -188.586049 0.0719 BFGS: 8703 12:08:09 -188.590411 0.4742 BFGS: 8704 12:08:09 -188.586076 0.0620 BFGS: 8705 12:08:09 -188.589733 0.3766 BFGS: 8706 12:08:10 -188.586079 0.0613 BFGS: 8707 12:08:10 -188.586081 0.0607 BFGS: 8708 12:08:10 -188.590218 0.4292 BFGS: 8709 12:08:10 -188.589725 0.3759 BFGS: 8710 12:08:10 -188.585672 0.1301 BFGS: 8711 12:08:10 -188.585860 0.1080 BFGS: 8712 12:08:10 -188.589457 0.3976 BFGS: 8713 12:08:10 -188.585959 0.0939 BFGS: 8714 12:08:10 -188.586008 0.0849 BFGS: 8715 12:08:10 -188.589927 0.3967 BFGS: 8716 12:08:10 -188.586045 0.0763 BFGS: 8717 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0.3914 BFGS: 8743 12:08:11 -188.585971 0.0900 BFGS: 8744 12:08:12 -188.586014 0.0826 BFGS: 8745 12:08:12 -188.590010 0.3875 BFGS: 8746 12:08:12 -188.586047 0.0756 BFGS: 8747 12:08:12 -188.586067 0.0703 BFGS: 8748 12:08:12 -188.590277 0.4204 BFGS: 8749 12:08:12 -188.586082 0.0651 BFGS: 8750 12:08:12 -188.589728 0.3712 BFGS: 8751 12:08:12 -188.586084 0.0641 BFGS: 8752 12:08:12 -188.586086 0.0633 BFGS: 8753 12:08:12 -188.589952 0.4178 BFGS: 8754 12:08:12 -188.589712 0.3768 BFGS: 8755 12:08:13 -188.585636 0.1792 BFGS: 8756 12:08:13 -188.585861 0.1340 BFGS: 8757 12:08:13 -188.589493 0.4118 BFGS: 8758 12:08:13 -188.585966 0.1055 BFGS: 8759 12:08:13 -188.586014 0.0892 BFGS: 8760 12:08:13 -188.589168 0.4295 BFGS: 8761 12:08:13 -188.586044 0.0769 BFGS: 8762 12:08:13 -188.586062 0.0685 BFGS: 8763 12:08:14 -188.589954 0.4192 BFGS: 8764 12:08:14 -188.586078 0.0610 BFGS: 8765 12:08:14 -188.589755 0.3715 BFGS: 8766 12:08:14 -188.586080 0.0607 BFGS: 8767 12:08:14 -188.586081 0.0603 BFGS: 8768 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0.0896 BFGS: 8845 12:08:18 -188.589616 0.3832 BFGS: 8846 12:08:18 -188.586020 0.0831 BFGS: 8847 12:08:18 -188.586040 0.0783 BFGS: 8848 12:08:18 -188.590235 0.3889 BFGS: 8849 12:08:18 -188.586062 0.0718 BFGS: 8850 12:08:19 -188.586077 0.0668 BFGS: 8851 12:08:19 -188.590105 0.4407 BFGS: 8852 12:08:19 -188.589738 0.3705 BFGS: 8853 12:08:19 -188.585873 0.1167 BFGS: 8854 12:08:19 -188.585944 0.1028 BFGS: 8855 12:08:19 -188.589576 0.3894 BFGS: 8856 12:08:19 -188.585992 0.0920 BFGS: 8857 12:08:19 -188.586022 0.0842 BFGS: 8858 12:08:19 -188.590157 0.4162 BFGS: 8859 12:08:19 -188.586054 0.0746 BFGS: 8860 12:08:19 -188.586075 0.0674 BFGS: 8861 12:08:19 -188.590430 0.4619 BFGS: 8862 12:08:19 -188.589742 0.3704 BFGS: 8863 12:08:19 -188.585777 0.1385 BFGS: 8864 12:08:19 -188.585891 0.1166 BFGS: 8865 12:08:19 -188.589460 0.4033 BFGS: 8866 12:08:19 -188.585966 0.0998 BFGS: 8867 12:08:19 -188.586009 0.0884 BFGS: 8868 12:08:19 -188.590436 0.4625 BFGS: 8869 12:08:19 -188.586051 0.0755 BFGS: 8870 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0.0702 BFGS: 9661 12:09:49 -188.586068 0.0681 BFGS: 9662 12:09:49 -188.589674 0.3824 BFGS: 9663 12:09:49 -188.586074 0.0658 BFGS: 9664 12:09:49 -188.586079 0.0640 BFGS: 9665 12:09:49 -188.589592 0.3921 BFGS: 9666 12:09:49 -188.586085 0.0618 BFGS: 9667 12:09:49 -188.586089 0.0600 BFGS: 9668 12:09:49 -188.589469 0.4050 BFGS: 9669 12:09:49 -188.589735 0.3737 BFGS: 9670 12:09:49 -188.586039 0.0773 BFGS: 9671 12:09:49 -188.586051 0.0736 BFGS: 9672 12:09:49 -188.589707 0.3781 BFGS: 9673 12:09:49 -188.586061 0.0705 BFGS: 9674 12:09:49 -188.586068 0.0681 BFGS: 9675 12:09:49 -188.589618 0.3893 BFGS: 9676 12:09:49 -188.586076 0.0653 BFGS: 9677 12:09:49 -188.586082 0.0631 BFGS: 9678 12:09:49 -188.589500 0.4021 BFGS: 9679 12:09:49 -188.586088 0.0603 BFGS: 9680 12:09:49 -188.589743 0.3722 BFGS: 9681 12:09:50 -188.586089 0.0600 BFGS: 9682 12:09:50 -188.586090 0.0598 BFGS: 9683 12:09:50 -188.589925 0.4103 BFGS: 9684 12:09:50 -188.589694 0.3799 BFGS: 9685 12:09:50 -188.585983 0.0938 BFGS: 9686 12:09:50 -188.586015 0.0852 BFGS: 9687 12:09:50 -188.589698 0.3793 BFGS: 9688 12:09:50 -188.586036 0.0791 BFGS: 9689 12:09:50 -188.586050 0.0746 BFGS: 9690 12:09:50 -188.589594 0.3914 BFGS: 9691 12:09:50 -188.586063 0.0702 BFGS: 9692 12:09:50 -188.586072 0.0667 BFGS: 9693 12:09:50 -188.589475 0.4035 BFGS: 9694 12:09:50 -188.586081 0.0630 BFGS: 9695 12:09:50 -188.586087 0.0601 BFGS: 9696 12:09:50 -188.590058 0.3967 BFGS: 9697 12:09:50 -188.589715 0.3766 BFGS: 9698 12:09:50 -188.586015 0.0855 BFGS: 9699 12:09:50 -188.586035 0.0796 BFGS: 9700 12:09:50 -188.589688 0.3801 BFGS: 9701 12:09:51 -188.586049 0.0750 BFGS: 9702 12:09:51 -188.586059 0.0715 BFGS: 9703 12:09:51 -188.589568 0.3936 BFGS: 9704 12:09:51 -188.586069 0.0676 BFGS: 9705 12:09:51 -188.586076 0.0647 BFGS: 9706 12:09:51 -188.589411 0.4094 BFGS: 9707 12:09:51 -188.586084 0.0611 BFGS: 9708 12:09:51 -188.589739 0.3722 BFGS: 9709 12:09:51 -188.586085 0.0607 BFGS: 9710 12:09:51 -188.586086 0.0603 BFGS: 9711 12:09:51 -188.590321 0.4749 BFGS: 9712 12:09:51 -188.589667 0.3831 BFGS: 9713 12:09:51 -188.585849 0.1248 BFGS: 9714 12:09:51 -188.585931 0.1068 BFGS: 9715 12:09:51 -188.589578 0.3936 BFGS: 9716 12:09:51 -188.585983 0.0938 BFGS: 9717 12:09:51 -188.586016 0.0848 BFGS: 9718 12:09:51 -188.590234 0.3979 BFGS: 9719 12:09:51 -188.586047 0.0751 BFGS: 9720 12:09:51 -188.586068 0.0680 BFGS: 9721 12:09:51 -188.590186 0.4421 BFGS: 9722 12:09:51 -188.586087 0.0607 BFGS: 9723 12:09:51 -188.589696 0.3795 BFGS: 9724 12:09:52 -188.586089 0.0599 BFGS: 9725 12:09:52 -188.589758 0.3670 BFGS: 9726 12:09:52 -188.586089 0.0598 BFGS: 9727 12:09:52 -188.586089 0.0597 BFGS: 9728 12:09:52 -188.589963 0.4084 BFGS: 9729 12:09:52 -188.589700 0.3792 BFGS: 9730 12:09:52 -188.585992 0.0931 BFGS: 9731 12:09:52 -188.586021 0.0846 BFGS: 9732 12:09:52 -188.589680 0.3825 BFGS: 9733 12:09:52 -188.586041 0.0782 BFGS: 9734 12:09:52 -188.586054 0.0735 BFGS: 9735 12:09:52 -188.589552 0.3979 BFGS: 9736 12:09:52 -188.586066 0.0686 BFGS: 9737 12:09:52 -188.586075 0.0649 BFGS: 9738 12:09:52 -188.589225 0.4137 BFGS: 9739 12:09:52 -188.586084 0.0608 BFGS: 9740 12:09:52 -188.589744 0.3720 BFGS: 9741 12:09:52 -188.586085 0.0604 BFGS: 9742 12:09:52 -188.586086 0.0601 BFGS: 9743 12:09:52 -188.590383 0.4635 BFGS: 9744 12:09:52 -188.589680 0.3813 BFGS: 9745 12:09:52 -188.584766 0.2498 BFGS: 9746 12:09:52 -188.585552 0.1657 BFGS: 9747 12:09:52 -188.590173 0.4355 BFGS: 9748 12:09:53 -188.585833 0.1237 BFGS: 9749 12:09:53 -188.585951 0.1006 BFGS: 9750 12:09:53 -188.590028 0.4462 BFGS: 9751 12:09:53 -188.586016 0.0848 BFGS: 9752 12:09:53 -188.586053 0.0737 BFGS: 9753 12:09:53 -188.590367 0.4635 BFGS: 9754 12:09:53 -188.586078 0.0650 BFGS: 9755 12:09:53 -188.589714 0.3750 BFGS: 9756 12:09:53 -188.586081 0.0638 BFGS: 9757 12:09:53 -188.586083 0.0629 BFGS: 9758 12:09:53 -188.590375 0.4742 BFGS: 9759 12:09:53 -188.589689 0.3799 BFGS: 9760 12:09:53 -188.585623 0.1740 BFGS: 9761 12:09:53 -188.585822 0.1359 BFGS: 9762 12:09:53 -188.589176 0.4207 BFGS: 9763 12:09:53 -188.585934 0.1094 BFGS: 9764 12:09:53 -188.585994 0.0926 BFGS: 9765 12:09:53 -188.590041 0.4604 BFGS: 9766 12:09:53 -188.586042 0.0769 BFGS: 9767 12:09:53 -188.586071 0.0658 BFGS: 9768 12:09:54 -188.590393 0.4746 BFGS: 9769 12:09:54 -188.589755 0.3702 BFGS: 9770 12:09:54 -188.585705 0.1577 BFGS: 9771 12:09:54 -188.585854 0.1273 BFGS: 9772 12:09:54 -188.589456 0.4104 BFGS: 9773 12:09:54 -188.585945 0.1052 BFGS: 9774 12:09:54 -188.585996 0.0908 BFGS: 9775 12:09:54 -188.590047 0.4592 BFGS: 9776 12:09:54 -188.586042 0.0759 BFGS: 9777 12:09:54 -188.586071 0.0653 BFGS: 9778 12:09:54 -188.590360 0.4759 BFGS: 9779 12:09:54 -188.589753 0.3713 BFGS: 9780 12:09:54 -188.585709 0.1549 BFGS: 9781 12:09:55 -188.585855 0.1257 BFGS: 9782 12:09:55 -188.589423 0.4127 BFGS: 9783 12:09:55 -188.585946 0.1042 BFGS: 9784 12:09:55 -188.585997 0.0901 BFGS: 9785 12:09:55 -188.590381 0.4737 BFGS: 9786 12:09:55 -188.586044 0.0754 BFGS: 9787 12:09:55 -188.586073 0.0648 BFGS: 9788 12:09:56 -188.590330 0.4766 BFGS: 9789 12:09:56 -188.589742 0.3736 BFGS: 9790 12:09:56 -188.585654 0.1632 BFGS: 9791 12:09:56 -188.585829 0.1305 BFGS: 9792 12:09:56 -188.590074 0.3987 BFGS: 9793 12:09:56 -188.585939 0.1055 BFGS: 9794 12:09:56 -188.585999 0.0896 BFGS: 9795 12:09:56 -188.590353 0.4743 BFGS: 9796 12:09:57 -188.586046 0.0751 BFGS: 9797 12:09:57 -188.586075 0.0647 BFGS: 9798 12:09:57 -188.590311 0.4771 BFGS: 9799 12:09:57 -188.589734 0.3747 BFGS: 9800 12:09:57 -188.585521 0.1839 BFGS: 9801 12:09:58 -188.585771 0.1416 BFGS: 9802 12:09:58 -188.590163 0.4230 BFGS: 9803 12:09:58 -188.585917 0.1108 BFGS: 9804 12:09:58 -188.585991 0.0919 BFGS: 9805 12:09:58 -188.590338 0.4747 BFGS: 9806 12:09:59 -188.586041 0.0767 BFGS: 9807 12:09:59 -188.586072 0.0659 BFGS: 9808 12:09:59 -188.590300 0.4775 BFGS: 9809 12:09:59 -188.589744 0.3725 BFGS: 9810 12:10:00 -188.585264 0.2193 BFGS: 9811 12:10:00 -188.585676 0.1587 BFGS: 9812 12:10:00 -188.590445 0.4658 BFGS: 9813 12:10:00 -188.585880 0.1193 BFGS: 9814 12:10:01 -188.585977 0.0958 BFGS: 9815 12:10:01 -188.590333 0.4748 BFGS: 9816 12:10:01 -188.586033 0.0795 BFGS: 9817 12:10:01 -188.586067 0.0679 BFGS: 9818 12:10:02 -188.590294 0.4777 BFGS: 9819 12:10:02 -188.586090 0.0590 BFGS: 9820 12:10:02 -188.589662 0.3846 BFGS: 9821 12:10:03 -188.589751 0.3705 BFGS: 9822 12:10:03 -188.585222 0.2249 BFGS: 9823 12:10:03 -188.585661 0.1614 BFGS: 9824 12:10:03 -188.590443 0.4658 BFGS: 9825 12:10:04 -188.585874 0.1208 BFGS: 9826 12:10:04 -188.585974 0.0968 BFGS: 9827 12:10:04 -188.590329 0.4752 BFGS: 9828 12:10:04 -188.586031 0.0801 BFGS: 9829 12:10:04 -188.586066 0.0683 BFGS: 9830 12:10:04 -188.590292 0.4781 BFGS: 9831 12:10:04 -188.586089 0.0593 BFGS: 9832 12:10:04 -188.589665 0.3842 BFGS: 9833 12:10:05 -188.589755 0.3694 BFGS: 9834 12:10:05 -188.585289 0.2167 BFGS: 9835 12:10:05 -188.585684 0.1578 BFGS: 9836 12:10:05 -188.590429 0.4671 BFGS: 9837 12:10:05 -188.585884 0.1187 BFGS: 9838 12:10:05 -188.585979 0.0953 BFGS: 9839 12:10:05 -188.590323 0.4759 BFGS: 9840 12:10:05 -188.586034 0.0790 BFGS: 9841 12:10:05 -188.586068 0.0674 BFGS: 9842 12:10:05 -188.590290 0.4785 BFGS: 9843 12:10:05 -188.589759 0.3673 BFGS: 9844 12:10:05 -188.584815 0.2731 BFGS: 9845 12:10:05 -188.585544 0.1806 BFGS: 9846 12:10:05 -188.590072 0.4528 BFGS: 9847 12:10:05 -188.585827 0.1307 BFGS: 9848 12:10:05 -188.585950 0.1028 BFGS: 9849 12:10:05 -188.590332 0.4752 BFGS: 9850 12:10:05 -188.586018 0.0842 BFGS: 9851 12:10:05 -188.586057 0.0712 BFGS: 9852 12:10:05 -188.590293 0.4784 BFGS: 9853 12:10:06 -188.586083 0.0614 BFGS: 9854 12:10:06 -188.589691 0.3809 BFGS: 9855 12:10:06 -188.586086 0.0604 BFGS: 9856 12:10:06 -188.586088 0.0595 BFGS: 9857 12:10:06 -188.590286 0.4768 BFGS: 9858 12:10:06 -188.589667 0.3837 BFGS: 9859 12:10:06 -188.584845 0.2830 BFGS: 9860 12:10:06 -188.585513 0.1824 BFGS: 9861 12:10:06 -188.590092 0.4491 BFGS: 9862 12:10:06 -188.585816 0.1316 BFGS: 9863 12:10:06 -188.585944 0.1037 BFGS: 9864 12:10:06 -188.590347 0.4717 BFGS: 9865 12:10:06 -188.586014 0.0851 BFGS: 9866 12:10:06 -188.586054 0.0722 BFGS: 9867 12:10:06 -188.590306 0.4753 BFGS: 9868 12:10:06 -188.586081 0.0625 BFGS: 9869 12:10:07 -188.589702 0.3790 BFGS: 9870 12:10:07 -188.586083 0.0615 BFGS: 9871 12:10:07 -188.586086 0.0606 BFGS: 9872 12:10:07 -188.590274 0.4779 BFGS: 9873 12:10:07 -188.589675 0.3825 BFGS: 9874 12:10:07 -188.584674 0.2836 BFGS: 9875 12:10:07 -188.585509 0.1835 BFGS: 9876 12:10:07 -188.590081 0.4503 BFGS: 9877 12:10:07 -188.585813 0.1323 BFGS: 9878 12:10:07 -188.585942 0.1041 BFGS: 9879 12:10:07 -188.590328 0.4738 BFGS: 9880 12:10:07 -188.586013 0.0852 BFGS: 9881 12:10:07 -188.586054 0.0722 BFGS: 9882 12:10:07 -188.590288 0.4772 BFGS: 9883 12:10:07 -188.586081 0.0623 BFGS: 9884 12:10:07 -188.589698 0.3796 BFGS: 9885 12:10:07 -188.586084 0.0613 BFGS: 9886 12:10:07 -188.586086 0.0604 BFGS: 9887 12:10:08 -188.590277 0.4774 BFGS: 9888 12:10:08 -188.589674 0.3827 BFGS: 9889 12:10:08 -188.584764 0.2726 BFGS: 9890 12:10:08 -188.585532 0.1791 BFGS: 9891 12:10:08 -188.590077 0.4504 BFGS: 9892 12:10:08 -188.585822 0.1300 BFGS: 9893 12:10:08 -188.585947 0.1027 BFGS: 9894 12:10:08 -188.590331 0.4732 BFGS: 9895 12:10:08 -188.586016 0.0844 BFGS: 9896 12:10:08 -188.586056 0.0716 BFGS: 9897 12:10:08 -188.590291 0.4766 BFGS: 9898 12:10:08 -188.586083 0.0620 BFGS: 9899 12:10:08 -188.589694 0.3801 BFGS: 9900 12:10:08 -188.586085 0.0610 BFGS: 9901 12:10:08 -188.586087 0.0601 BFGS: 9902 12:10:09 -188.590274 0.4774 BFGS: 9903 12:10:09 -188.589670 0.3832 BFGS: 9904 12:10:09 -188.584686 0.2811 BFGS: 9905 12:10:09 -188.585513 0.1822 BFGS: 9906 12:10:09 -188.590074 0.4505 BFGS: 9907 12:10:09 -188.585815 0.1316 BFGS: 9908 12:10:09 -188.585944 0.1036 BFGS: 9909 12:10:09 -188.590327 0.4734 BFGS: 9910 12:10:09 -188.586014 0.0850 BFGS: 9911 12:10:09 -188.586055 0.0721 BFGS: 9912 12:10:09 -188.590287 0.4766 BFGS: 9913 12:10:09 -188.586081 0.0623 BFGS: 9914 12:10:09 -188.589698 0.3795 BFGS: 9915 12:10:09 -188.586084 0.0613 BFGS: 9916 12:10:09 -188.586086 0.0604 BFGS: 9917 12:10:09 -188.590277 0.4765 BFGS: 9918 12:10:09 -188.589674 0.3825 BFGS: 9919 12:10:09 -188.584693 0.2777 BFGS: 9920 12:10:10 -188.585514 0.1807 BFGS: 9921 12:10:10 -188.590077 0.4494 BFGS: 9922 12:10:10 -188.585815 0.1310 BFGS: 9923 12:10:10 -188.585944 0.1035 BFGS: 9924 12:10:10 -188.590329 0.4723 BFGS: 9925 12:10:10 -188.586014 0.0851 BFGS: 9926 12:10:10 -188.586055 0.0723 BFGS: 9927 12:10:10 -188.590288 0.4760 BFGS: 9928 12:10:10 -188.586081 0.0626 BFGS: 9929 12:10:10 -188.589699 0.3792 BFGS: 9930 12:10:10 -188.586084 0.0615 BFGS: 9931 12:10:10 -188.586086 0.0607 BFGS: 9932 12:10:10 -188.590279 0.4772 BFGS: 9933 12:10:10 -188.589674 0.3824 BFGS: 9934 12:10:10 -188.584689 0.2816 BFGS: 9935 12:10:10 -188.585513 0.1827 BFGS: 9936 12:10:11 -188.590077 0.4505 BFGS: 9937 12:10:11 -188.585815 0.1319 BFGS: 9938 12:10:11 -188.585943 0.1038 BFGS: 9939 12:10:11 -188.590331 0.4734 BFGS: 9940 12:10:11 -188.586013 0.0851 BFGS: 9941 12:10:11 -188.586054 0.0721 BFGS: 9942 12:10:11 -188.590289 0.4767 BFGS: 9943 12:10:11 -188.586081 0.0624 BFGS: 9944 12:10:11 -188.589699 0.3794 BFGS: 9945 12:10:11 -188.586084 0.0614 BFGS: 9946 12:10:11 -188.586086 0.0605 BFGS: 9947 12:10:11 -188.590288 0.4752 BFGS: 9948 12:10:11 -188.589676 0.3823 BFGS: 9949 12:10:12 -188.584878 0.2750 BFGS: 9950 12:10:12 -188.585516 0.1796 BFGS: 9951 12:10:12 -188.590077 0.4489 BFGS: 9952 12:10:12 -188.585817 0.1305 BFGS: 9953 12:10:12 -188.585944 0.1033 BFGS: 9954 12:10:12 -188.590340 0.4710 BFGS: 9955 12:10:12 -188.586014 0.0852 BFGS: 9956 12:10:12 -188.586055 0.0725 BFGS: 9957 12:10:12 -188.590292 0.4753 BFGS: 9958 12:10:13 -188.586081 0.0629 BFGS: 9959 12:10:13 -188.589700 0.3788 BFGS: 9960 12:10:13 -188.586084 0.0618 BFGS: 9961 12:10:13 -188.586086 0.0609 BFGS: 9962 12:10:14 -188.590302 0.4759 BFGS: 9963 12:10:14 -188.589677 0.3821 BFGS: 9964 12:10:14 -188.584882 0.2816 BFGS: 9965 12:10:14 -188.585520 0.1827 BFGS: 9966 12:10:14 -188.590087 0.4504 BFGS: 9967 12:10:14 -188.585819 0.1317 BFGS: 9968 12:10:15 -188.585945 0.1037 BFGS: 9969 12:10:15 -188.590353 0.4722 BFGS: 9970 12:10:15 -188.586014 0.0851 BFGS: 9971 12:10:15 -188.586054 0.0722 BFGS: 9972 12:10:15 -188.590299 0.4764 BFGS: 9973 12:10:15 -188.586081 0.0624 BFGS: 9974 12:10:16 -188.589703 0.3790 BFGS: 9975 12:10:16 -188.586083 0.0614 BFGS: 9976 12:10:16 -188.586086 0.0606 BFGS: 9977 12:10:16 -188.590342 0.4702 BFGS: 9978 12:10:16 -188.589682 0.3814 BFGS: 9979 12:10:16 -188.584918 0.2654 BFGS: 9980 12:10:17 -188.585534 0.1749 BFGS: 9981 12:10:17 -188.590122 0.4438 BFGS: 9982 12:10:17 -188.585824 0.1284 BFGS: 9983 12:10:17 -188.585947 0.1026 BFGS: 9984 12:10:17 -188.590392 0.4655 BFGS: 9985 12:10:17 -188.586014 0.0853 BFGS: 9986 12:10:17 -188.586053 0.0731 BFGS: 9987 12:10:17 -188.590318 0.4725 BFGS: 9988 12:10:17 -188.586080 0.0636 BFGS: 9989 12:10:18 -188.589709 0.3774 BFGS: 9990 12:10:18 -188.586083 0.0625 BFGS: 9991 12:10:18 -188.586085 0.0616 BFGS: 9992 12:10:18 -188.590398 0.4689 BFGS: 9993 12:10:18 -188.589691 0.3803 BFGS: 9994 12:10:18 -188.584951 0.2739 BFGS: 9995 12:10:18 -188.585551 0.1786 BFGS: 9996 12:10:18 -188.590163 0.4447 BFGS: 9997 12:10:18 -188.585833 0.1295 BFGS: 9998 12:10:18 -188.585950 0.1027 BFGS: 9999 12:10:18 -188.590036 0.4554 BFGS: 10000 12:10:18 -188.586015 0.0846 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.07482419973632834 eV/Angstrom Maximum stress component: 0.0010587735037083641 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.80268112 0.44207118 0.07826014] [0.19731888 0.55792882 0.57826014] [0.55792882 0.80268112 0.32826014] [0.44207118 0.19731888 0.82826014] [0.92259581 0.28965957 0.16338273] [0.07740419 0.71034043 0.66338273] [0.71034043 0.92259581 0.41338273] [0.28965957 0.07740419 0.91338273] [0.1305502 0.63051464 0.14327385] [0.8694498 0.36948536 0.64327385] [0.36948536 0.1305502 0.39327385] [0.63051464 0.8694498 0.89327385] [0.1087141 0.76434115 0.20315948] [0.8912859 0.23565885 0.70315948] [0.23565885 0.1087141 0.45315948] [0.76434115 0.8912859 0.95315948] [0.29383929 0.66494311 0.10648166] [0.70616071 0.33505689 0.60648166] [0.33505689 0.29383929 0.35648166] [0.66494311 0.70616071 0.85648166] [0.616057 0.39437281 0.03246527] [0.383943 0.60562719 0.53246527] [0.60562719 0.616057 0.28246527] [0.39437281 0.383943 0.78246527] [0.94483486 0.63369945 0.06317367] [0.05516514 0.36630055 0.56317367] [0.36630055 0.94483486 0.31317367] [0.63369945 0.05516514 0.81317367] [0.85154508 0.09608278 0.19237242] [0.14845492 0.90391722 0.69237242] [0.90391722 0.85154508 0.44237242] [0.09608278 0.14845492 0.94237242] [0.12137837 0.40698938 0.19613077] [0.87862163 0.59301062 0.69613077] [0.59301062 0.12137837 0.44613077] [0.40698938 0.87862163 0.94613077]] cellpar = Cell([[5.957585274314891, 9.214696504480803e-17, 3.2594288009660667e-34], [-9.214696504481003e-17, 5.957585274314892, -8.415728624081352e-18], [-1.5342647441029405e-34, -1.2621081552171506e-17, 12.335883570559421]]) forces = [[ 0.03674982 0.00446087 0.02308565] [-0.03674982 -0.00446087 0.02308565] [-0.00446087 0.03674982 0.02308565] [ 0.00446087 -0.03674982 0.02308565] [ 0.01028145 -0.03617376 0.02808144] [-0.01028145 0.03617376 0.02808144] [ 0.03617376 0.01028145 0.02808144] [-0.03617376 -0.01028145 0.02808144] [ 0.02434101 0.03129316 0.00436111] [-0.02434101 -0.03129316 0.00436111] [-0.03129316 0.02434101 0.00436111] [ 0.03129316 -0.02434101 0.00436111] [-0.0005006 0.002898 0.00279441] [ 0.0005006 -0.002898 0.00279441] [-0.002898 -0.0005006 0.00279441] [ 0.002898 0.0005006 0.00279441] [ 0.00378058 0.00092145 -0.00179913] [-0.00378058 -0.00092145 -0.00179913] [-0.00092145 0.00378058 -0.00179913] [ 0.00092145 -0.00378058 -0.00179913] [-0.0748242 -0.01912421 -0.03796727] [ 0.0748242 0.01912421 -0.03796727] [ 0.01912421 -0.0748242 -0.03796727] [-0.01912421 0.0748242 -0.03796727] [ 0.00054995 0.0345091 -0.02776129] [-0.00054995 -0.0345091 -0.02776129] [-0.0345091 0.00054995 -0.02776129] [ 0.0345091 -0.00054995 -0.02776129] [ 0.00630842 0.01602281 -0.00468473] [-0.00630842 -0.01602281 -0.00468473] [-0.01602281 0.00630842 -0.00468473] [ 0.01602281 -0.00630842 -0.00468473] [-0.00669889 -0.03482756 0.01388982] [ 0.00669889 0.03482756 0.01388982] [ 0.03482756 -0.00669889 0.01388982] [-0.03482756 0.00669889 0.01388982]] stress = [-1.05877350e-03 -1.05877350e-03 -7.02648630e-04 -2.13184404e-21 2.43002649e-38 -2.84491910e-30] energy per atom = -5.1548299258547345 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0