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 08:55:54 -163.588806 38.998981 BFGS: 1 08:55:54 -184.154330 10.125067 BFGS: 2 08:55:54 -185.992702 13.229018 BFGS: 3 08:55:55 -185.924575 7.585572 BFGS: 4 08:55:55 -186.786274 4.001100 BFGS: 5 08:55:55 -187.525922 4.294817 BFGS: 6 08:55:55 -187.961919 2.079689 BFGS: 7 08:55:55 -187.266448 9.679153 BFGS: 8 08:55:55 -188.191781 2.445281 BFGS: 9 08:55:55 -185.463299 18.507717 BFGS: 10 08:55:55 -188.323795 0.978053 BFGS: 11 08:55:55 -188.352773 0.653201 BFGS: 12 08:55:55 -188.379784 0.221764 BFGS: 13 08:55:55 -188.385436 0.226174 BFGS: 14 08:55:55 -188.395865 0.644868 BFGS: 15 08:55:55 -188.394555 0.169308 BFGS: 16 08:55:55 -188.398695 0.154309 BFGS: 17 08:55:55 -188.415466 0.215478 BFGS: 18 08:55:55 -188.432034 0.572254 BFGS: 19 08:55:55 -188.439143 0.245385 BFGS: 20 08:55:56 -188.455525 0.209774 BFGS: 21 08:55:56 -188.499121 0.723753 BFGS: 22 08:55:56 -188.515066 0.674446 BFGS: 23 08:55:56 -188.539595 0.554150 BFGS: 24 08:55:56 -188.533872 0.079241 BFGS: 25 08:55:56 -188.536104 0.146333 BFGS: 26 08:55:56 -188.544515 0.501776 BFGS: 27 08:55:56 -188.537941 0.129872 BFGS: 28 08:55:56 -188.538537 0.091838 BFGS: 29 08:55:56 -188.539771 0.106684 BFGS: 30 08:55:56 -188.541071 0.137346 BFGS: 31 08:55:56 -188.544213 0.190649 BFGS: 32 08:55:56 -188.547264 0.186878 BFGS: 33 08:55:56 -188.549090 0.098109 BFGS: 34 08:55:56 -188.549726 0.051080 BFGS: 35 08:55:56 -188.550061 0.068628 BFGS: 36 08:55:56 -188.550290 0.069549 BFGS: 37 08:55:56 -188.550448 0.052989 BFGS: 38 08:55:56 -188.550518 0.043419 BFGS: 39 08:55:56 -188.550563 0.047252 BFGS: 40 08:55:56 -188.550657 0.051813 BFGS: 41 08:55:56 -188.558937 0.464404 BFGS: 42 08:55:56 -188.550719 0.050688 BFGS: 43 08:55:56 -188.550751 0.049378 BFGS: 44 08:55:56 -188.559021 0.462630 BFGS: 45 08:55:57 -188.550795 0.045488 BFGS: 46 08:55:57 -188.550821 0.044525 BFGS: 47 08:55:57 -188.559476 0.523094 BFGS: 48 08:55:57 -188.558101 0.464197 BFGS: 49 08:55:57 -188.548723 0.138619 BFGS: 50 08:55:57 -188.549700 0.070125 BFGS: 51 08:55:57 -188.550619 0.077428 BFGS: 52 08:55:57 -188.557944 0.487093 BFGS: 53 08:55:57 -188.550773 0.056806 BFGS: 54 08:55:57 -188.550840 0.051008 BFGS: 55 08:55:57 -188.558387 0.465434 BFGS: 56 08:55:57 -188.554594 0.397007 BFGS: 57 08:55:57 -188.551933 0.565031 BFGS: 58 08:55:57 -188.550284 0.165812 BFGS: 59 08:55:57 -188.554445 0.430423 BFGS: 60 08:55:57 -188.550633 0.109063 BFGS: 61 08:55:57 -188.550773 0.083953 BFGS: 62 08:55:57 -188.558946 0.512715 BFGS: 63 08:55:57 -188.550901 0.056353 BFGS: 64 08:55:57 -188.550973 0.045278 BFGS: 65 08:55:57 -188.557862 0.587994 BFGS: 66 08:55:57 -188.554528 0.422342 BFGS: 67 08:55:57 -188.549428 0.253727 BFGS: 68 08:55:57 -188.550437 0.146246 BFGS: 69 08:55:57 -188.558824 0.539669 BFGS: 70 08:55:57 -188.550850 0.081513 BFGS: 71 08:55:57 -188.551006 0.049562 BFGS: 72 08:55:58 -188.558499 0.571019 BFGS: 73 08:55:58 -188.554676 0.414857 BFGS: 74 08:55:58 -188.549214 0.279505 BFGS: 75 08:55:58 -188.550468 0.149864 BFGS: 76 08:55:58 -188.555358 0.532844 BFGS: 77 08:55:58 -188.550923 0.084119 BFGS: 78 08:55:58 -188.551099 0.052057 BFGS: 79 08:55:58 -188.558265 0.589649 BFGS: 80 08:55:58 -188.554698 0.420405 BFGS: 81 08:55:58 -188.553236 0.590517 BFGS: 82 08:55:58 -188.550585 0.133653 BFGS: 83 08:55:58 -188.554925 0.564057 BFGS: 84 08:55:58 -188.551066 0.070707 BFGS: 85 08:55:58 -188.554921 0.397632 BFGS: 86 08:55:58 -188.551155 0.059957 BFGS: 87 08:55:58 -188.551206 0.054695 BFGS: 88 08:55:58 -188.557560 0.826349 BFGS: 89 08:55:58 -188.559441 0.479141 BFGS: 90 08:55:58 -188.549823 0.159573 BFGS: 91 08:55:59 -188.550744 0.099548 BFGS: 92 08:55:59 -188.558353 0.797523 BFGS: 93 08:55:59 -188.555072 0.397113 BFGS: 94 08:55:59 -188.550498 0.124366 BFGS: 95 08:55:59 -188.551045 0.081955 BFGS: 96 08:55:59 -188.558056 0.815692 BFGS: 97 08:55:59 -188.558667 0.468512 BFGS: 98 08:55:59 -188.549643 0.178766 BFGS: 99 08:55:59 -188.550697 0.109980 BFGS: 100 08:55:59 -188.558708 0.790323 BFGS: 101 08:55:59 -188.551465 0.044219 BFGS: 102 08:56:00 -188.559453 0.462142 BFGS: 103 08:56:00 -188.555213 0.413225 BFGS: 104 08:56:00 -188.550830 0.118555 BFGS: 105 08:56:01 -188.551292 0.077613 BFGS: 106 08:56:01 -188.558972 0.728915 BFGS: 107 08:56:01 -188.555284 0.415348 BFGS: 108 08:56:02 -188.550728 0.136792 BFGS: 109 08:56:02 -188.551343 0.085012 BFGS: 110 08:56:02 -188.559008 0.729881 BFGS: 111 08:56:02 -188.555417 0.410182 BFGS: 112 08:56:02 -188.550833 0.140633 BFGS: 113 08:56:03 -188.551447 0.087058 BFGS: 114 08:56:03 -188.559043 0.733498 BFGS: 115 08:56:03 -188.555523 0.409718 BFGS: 116 08:56:03 -188.550958 0.141138 BFGS: 117 08:56:04 -188.551570 0.087445 BFGS: 118 08:56:04 -188.560004 0.735896 BFGS: 119 08:56:04 -188.555625 0.411027 BFGS: 120 08:56:04 -188.551087 0.141911 BFGS: 121 08:56:04 -188.551701 0.087548 BFGS: 122 08:56:05 -188.560028 0.739254 BFGS: 123 08:56:05 -188.555732 0.411919 BFGS: 124 08:56:05 -188.551231 0.141118 BFGS: 125 08:56:05 -188.551836 0.087356 BFGS: 126 08:56:05 -188.560043 0.691738 BFGS: 127 08:56:05 -188.555912 0.403593 BFGS: 128 08:56:05 -188.551425 0.138716 BFGS: 129 08:56:05 -188.551968 0.087907 BFGS: 130 08:56:05 -188.560861 0.704013 BFGS: 131 08:56:05 -188.559691 0.464979 BFGS: 132 08:56:06 -188.550996 0.174502 BFGS: 133 08:56:06 -188.551843 0.107211 BFGS: 134 08:56:06 -188.560783 0.715011 BFGS: 135 08:56:06 -188.552457 0.046452 BFGS: 136 08:56:06 -188.560527 0.460651 BFGS: 137 08:56:06 -188.556233 0.407272 BFGS: 138 08:56:07 -188.551802 0.151836 BFGS: 139 08:56:07 -188.552288 0.095157 BFGS: 140 08:56:07 -188.560628 0.703116 BFGS: 141 08:56:07 -188.552761 0.040962 BFGS: 142 08:56:08 -188.556228 0.442084 BFGS: 143 08:56:08 -188.556493 0.413366 BFGS: 144 08:56:08 -188.551353 0.264943 BFGS: 145 08:56:08 -188.552399 0.154905 BFGS: 146 08:56:09 -188.560853 0.540600 BFGS: 147 08:56:09 -188.552994 0.090794 BFGS: 148 08:56:09 -188.553258 0.060043 BFGS: 149 08:56:09 -188.561280 0.757874 BFGS: 150 08:56:10 -188.560692 0.473177 BFGS: 151 08:56:10 -188.552354 0.177597 BFGS: 152 08:56:10 -188.553163 0.120341 BFGS: 153 08:56:10 -188.561523 0.762973 BFGS: 154 08:56:11 -188.557514 0.430683 BFGS: 155 08:56:11 -188.557682 0.419098 BFGS: 156 08:56:11 -188.561736 0.547854 BFGS: 157 08:56:12 -188.561400 0.473337 BFGS: 158 08:56:12 -188.553008 0.164298 BFGS: 159 08:56:12 -188.553846 0.117510 BFGS: 160 08:56:13 -188.563481 0.686715 BFGS: 161 08:56:13 -188.554485 0.077136 BFGS: 162 08:56:13 -188.558435 0.425520 BFGS: 163 08:56:13 -188.561947 0.477371 BFGS: 164 08:56:14 -188.558714 0.422120 BFGS: 165 08:56:14 -188.555272 0.039528 BFGS: 166 08:56:14 -188.564097 0.455083 BFGS: 167 08:56:14 -188.559306 0.417098 BFGS: 168 08:56:14 -188.559415 0.421495 BFGS: 169 08:56:14 -188.563388 0.471106 BFGS: 170 08:56:14 -188.556301 0.039686 BFGS: 171 08:56:14 -188.556492 0.046512 BFGS: 172 08:56:14 -188.565288 0.501480 BFGS: 173 08:56:15 -188.560211 0.409995 BFGS: 174 08:56:15 -188.556554 0.034625 BFGS: 175 08:56:15 -188.556613 0.037652 BFGS: 176 08:56:15 -188.565203 0.478263 BFGS: 177 08:56:16 -188.556716 0.036316 BFGS: 178 08:56:16 -188.556771 0.033619 BFGS: 179 08:56:16 -188.564201 0.474016 BFGS: 180 08:56:16 -188.560490 0.400977 BFGS: 181 08:56:16 -188.556786 0.044776 BFGS: 182 08:56:16 -188.556816 0.040900 BFGS: 183 08:56:16 -188.564033 0.474738 BFGS: 184 08:56:16 -188.556848 0.037240 BFGS: 185 08:56:16 -188.556865 0.035415 BFGS: 186 08:56:17 -188.560493 0.413517 BFGS: 187 08:56:17 -188.556889 0.034885 BFGS: 188 08:56:17 -188.556900 0.034448 BFGS: 189 08:56:17 -188.564046 0.474645 BFGS: 190 08:56:17 -188.556916 0.032997 BFGS: 191 08:56:17 -188.556927 0.031800 BFGS: 192 08:56:17 -188.564766 0.464315 BFGS: 193 08:56:17 -188.560589 0.408679 BFGS: 194 08:56:17 -188.556841 0.047342 BFGS: 195 08:56:18 -188.556900 0.042329 BFGS: 196 08:56:18 -188.560275 0.448153 BFGS: 197 08:56:18 -188.556954 0.034544 BFGS: 198 08:56:18 -188.560659 0.399616 BFGS: 199 08:56:18 -188.556975 0.032070 BFGS: 200 08:56:18 -188.556987 0.031864 BFGS: 201 08:56:18 -188.560530 0.428620 BFGS: 202 08:56:18 -188.557055 0.030901 BFGS: 203 08:56:18 -188.560731 0.406836 BFGS: 204 08:56:18 -188.560765 0.404654 BFGS: 205 08:56:18 -188.557171 0.038151 BFGS: 206 08:56:19 -188.557184 0.040686 BFGS: 207 08:56:19 -188.557234 0.058358 BFGS: 208 08:56:19 -188.557239 0.065702 BFGS: 209 08:56:19 -188.557272 0.062901 BFGS: 210 08:56:19 -188.557301 0.056418 BFGS: 211 08:56:19 -188.557319 0.058615 BFGS: 212 08:56:19 -188.557358 0.072170 BFGS: 213 08:56:19 -188.557382 0.067567 BFGS: 214 08:56:19 -188.557413 0.058158 BFGS: 215 08:56:19 -188.557419 0.062838 BFGS: 216 08:56:19 -188.557429 0.063104 BFGS: 217 08:56:19 -188.557470 0.062319 BFGS: 218 08:56:19 -188.557505 0.062847 BFGS: 219 08:56:20 -188.561012 0.396440 BFGS: 220 08:56:20 -188.557653 0.062495 BFGS: 221 08:56:20 -188.561362 0.384718 BFGS: 222 08:56:20 -188.557717 0.040134 BFGS: 223 08:56:20 -188.557760 0.036525 BFGS: 224 08:56:20 -188.561374 0.431767 BFGS: 225 08:56:20 -188.561449 0.415422 BFGS: 226 08:56:20 -188.557808 0.044548 BFGS: 227 08:56:20 -188.561514 0.399085 BFGS: 228 08:56:20 -188.561550 0.395286 BFGS: 229 08:56:20 -188.562064 0.470543 BFGS: 230 08:56:20 -188.561493 0.456579 BFGS: 231 08:56:20 -188.561092 0.430696 BFGS: 232 08:56:21 -188.557900 0.034580 BFGS: 233 08:56:21 -188.561561 0.451596 BFGS: 234 08:56:21 -188.558027 0.037586 BFGS: 235 08:56:21 -188.565435 0.465362 BFGS: 236 08:56:21 -188.561826 0.421458 BFGS: 237 08:56:21 -188.561964 0.394499 BFGS: 238 08:56:21 -188.562066 0.391942 BFGS: 239 08:56:21 -188.562190 0.392279 BFGS: 240 08:56:21 -188.565778 0.467310 BFGS: 241 08:56:22 -188.565917 0.465014 BFGS: 242 08:56:22 -188.558467 0.029292 BFGS: 243 08:56:22 -188.558604 0.033705 BFGS: 244 08:56:22 -188.567511 0.471302 BFGS: 245 08:56:22 -188.562431 0.402727 BFGS: 246 08:56:22 -188.558736 0.045490 BFGS: 247 08:56:22 -188.558844 0.044842 BFGS: 248 08:56:22 -188.568273 0.502486 BFGS: 249 08:56:22 -188.562638 0.400787 BFGS: 250 08:56:22 -188.562659 0.437433 BFGS: 251 08:56:23 -188.559012 0.046786 BFGS: 252 08:56:23 -188.559229 0.036563 BFGS: 253 08:56:23 -188.567357 0.516203 BFGS: 254 08:56:24 -188.563147 0.399231 BFGS: 255 08:56:24 -188.559485 0.053621 BFGS: 256 08:56:24 -188.559717 0.050205 BFGS: 257 08:56:25 -188.568136 0.464517 BFGS: 258 08:56:25 -188.560239 0.039833 BFGS: 259 08:56:25 -188.560566 0.039253 BFGS: 260 08:56:25 -188.569648 0.489024 BFGS: 261 08:56:26 -188.564608 0.383223 BFGS: 262 08:56:26 -188.560981 0.107781 BFGS: 263 08:56:26 -188.561303 0.083754 BFGS: 264 08:56:26 -188.570546 0.466555 BFGS: 265 08:56:27 -188.561851 0.049083 BFGS: 266 08:56:27 -188.562141 0.041471 BFGS: 267 08:56:27 -188.571228 0.501805 BFGS: 268 08:56:27 -188.562545 0.044593 BFGS: 269 08:56:28 -188.569997 0.474947 BFGS: 270 08:56:28 -188.570195 0.482513 BFGS: 271 08:56:28 -188.566859 0.380918 BFGS: 272 08:56:28 -188.563124 0.141300 BFGS: 273 08:56:28 -188.563311 0.105085 BFGS: 274 08:56:29 -188.570869 0.486192 BFGS: 275 08:56:29 -188.563494 0.080658 BFGS: 276 08:56:29 -188.563578 0.074976 BFGS: 277 08:56:30 -188.570054 0.508451 BFGS: 278 08:56:30 -188.563657 0.074492 BFGS: 279 08:56:30 -188.563701 0.075849 BFGS: 280 08:56:31 -188.570418 0.503442 BFGS: 281 08:56:31 -188.563581 0.077142 BFGS: 282 08:56:31 -188.563609 0.077918 BFGS: 283 08:56:31 -188.570739 0.497513 BFGS: 284 08:56:31 -188.567331 0.459535 BFGS: 285 08:56:32 -188.563802 0.046985 BFGS: 286 08:56:32 -188.563675 0.058763 BFGS: 287 08:56:32 -188.567409 0.444115 BFGS: 288 08:56:32 -188.563775 0.070754 BFGS: 289 08:56:33 -188.563815 0.069094 BFGS: 290 08:56:33 -188.571004 0.492637 BFGS: 291 08:56:33 -188.563940 0.058967 BFGS: 292 08:56:33 -188.564014 0.053773 BFGS: 293 08:56:34 -188.572256 0.478017 BFGS: 294 08:56:34 -188.564384 0.032179 BFGS: 295 08:56:34 -188.568207 0.430939 BFGS: 296 08:56:34 -188.568508 0.504855 BFGS: 297 08:56:35 -188.568809 0.480456 BFGS: 298 08:56:35 -188.565559 0.073138 BFGS: 299 08:56:35 -188.565840 0.109378 BFGS: 300 08:56:36 -188.569856 0.568433 BFGS: 301 08:56:36 -188.566209 0.147950 BFGS: 302 08:56:36 -188.566283 0.148637 BFGS: 303 08:56:36 -188.570166 0.617811 BFGS: 304 08:56:37 -188.566800 0.159792 BFGS: 305 08:56:37 -188.570735 0.561221 BFGS: 306 08:56:37 -188.571207 0.549222 BFGS: 307 08:56:38 -188.567726 0.205605 BFGS: 308 08:56:38 -188.571929 0.630976 BFGS: 309 08:56:38 -188.572237 0.578141 BFGS: 310 08:56:38 -188.572699 0.498986 BFGS: 311 08:56:38 -188.572946 0.464656 BFGS: 312 08:56:38 -188.569260 0.089308 BFGS: 313 08:56:38 -188.573161 0.435219 BFGS: 314 08:56:39 -188.569844 0.061938 BFGS: 315 08:56:39 -188.569989 0.054546 BFGS: 316 08:56:39 -188.573720 0.414751 BFGS: 317 08:56:39 -188.570139 0.050916 BFGS: 318 08:56:40 -188.570191 0.069913 BFGS: 319 08:56:40 -188.573864 0.471914 BFGS: 320 08:56:40 -188.573452 0.410848 BFGS: 321 08:56:41 -188.570223 0.042124 BFGS: 322 08:56:41 -188.570231 0.041851 BFGS: 323 08:56:41 -188.573898 0.396031 BFGS: 324 08:56:41 -188.570245 0.042814 BFGS: 325 08:56:42 -188.570253 0.044826 BFGS: 326 08:56:42 -188.577091 0.523903 BFGS: 327 08:56:42 -188.573943 0.385620 BFGS: 328 08:56:42 -188.570286 0.052556 BFGS: 329 08:56:43 -188.570314 0.059264 BFGS: 330 08:56:43 -188.574611 0.544221 BFGS: 331 08:56:43 -188.573941 0.482959 BFGS: 332 08:56:44 -188.573071 0.509513 BFGS: 333 08:56:44 -188.573711 0.434174 BFGS: 334 08:56:44 -188.573683 0.519704 BFGS: 335 08:56:44 -188.570278 0.028147 BFGS: 336 08:56:44 -188.570358 0.040571 BFGS: 337 08:56:44 -188.574645 0.558087 BFGS: 338 08:56:45 -188.570467 0.057364 BFGS: 339 08:56:45 -188.574117 0.482493 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-188.593431 0.445232 BFGS: 7074 09:08:26 -188.586091 0.066542 BFGS: 7075 09:08:26 -188.586091 0.066576 BFGS: 7076 09:08:26 -188.589762 0.357033 BFGS: 7077 09:08:26 -188.589762 0.354672 BFGS: 7078 09:08:26 -188.586088 0.063645 BFGS: 7079 09:08:26 -188.586090 0.065071 BFGS: 7080 09:08:26 -188.589763 0.355053 BFGS: 7081 09:08:26 -188.586091 0.065648 BFGS: 7082 09:08:26 -188.586091 0.065930 BFGS: 7083 09:08:26 -188.589762 0.356620 BFGS: 7084 09:08:26 -188.586091 0.066179 BFGS: 7085 09:08:26 -188.586092 0.066354 BFGS: 7086 09:08:26 -188.593439 0.442231 BFGS: 7087 09:08:27 -188.586091 0.066403 BFGS: 7088 09:08:27 -188.586091 0.066449 BFGS: 7089 09:08:27 -188.589761 0.356942 BFGS: 7090 09:08:27 -188.586091 0.066619 BFGS: 7091 09:08:27 -188.589762 0.354522 BFGS: 7092 09:08:27 -188.586091 0.066634 BFGS: 7093 09:08:27 -188.586091 0.066647 BFGS: 7094 09:08:27 -188.593427 0.445385 BFGS: 7095 09:08:27 -188.589762 0.353967 BFGS: 7096 09:08:27 -188.586091 0.066522 BFGS: 7097 09:08:27 -188.586091 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-188.586089 0.063861 BFGS: 7439 09:09:05 -188.586090 0.064994 BFGS: 7440 09:09:05 -188.589760 0.358239 BFGS: 7441 09:09:05 -188.586091 0.065735 BFGS: 7442 09:09:05 -188.586091 0.066149 BFGS: 7443 09:09:06 -188.589761 0.358181 BFGS: 7444 09:09:06 -188.586091 0.066415 BFGS: 7445 09:09:06 -188.586092 0.066604 BFGS: 7446 09:09:06 -188.589758 0.358768 BFGS: 7447 09:09:06 -188.589763 0.355070 BFGS: 7448 09:09:06 -188.586090 0.063911 BFGS: 7449 09:09:06 -188.586091 0.064891 BFGS: 7450 09:09:07 -188.589759 0.358589 BFGS: 7451 09:09:07 -188.586091 0.065596 BFGS: 7452 09:09:07 -188.586091 0.066047 BFGS: 7453 09:09:07 -188.589758 0.358776 BFGS: 7454 09:09:07 -188.586092 0.066380 BFGS: 7455 09:09:07 -188.586092 0.066631 BFGS: 7456 09:09:08 -188.593427 0.445738 BFGS: 7457 09:09:08 -188.586092 0.066673 BFGS: 7458 09:09:08 -188.586092 0.066714 BFGS: 7459 09:09:08 -188.589758 0.358858 BFGS: 7460 09:09:08 -188.589762 0.356475 BFGS: 7461 09:09:08 -188.586092 0.064081 BFGS: 7462 09:09:08 -188.586092 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-188.589763 0.352306 BFGS: 7658 09:09:34 -188.586091 0.067275 BFGS: 7659 09:09:34 -188.586091 0.066965 BFGS: 7660 09:09:34 -188.589763 0.354164 BFGS: 7661 09:09:34 -188.586091 0.066817 BFGS: 7662 09:09:34 -188.586091 0.066756 BFGS: 7663 09:09:34 -188.589762 0.354315 BFGS: 7664 09:09:35 -188.586091 0.066728 BFGS: 7665 09:09:35 -188.586091 0.066715 BFGS: 7666 09:09:35 -188.589762 0.354997 BFGS: 7667 09:09:35 -188.589763 0.352612 BFGS: 7668 09:09:35 -188.586091 0.067067 BFGS: 7669 09:09:35 -188.586091 0.066855 BFGS: 7670 09:09:36 -188.589762 0.354906 BFGS: 7671 09:09:36 -188.586091 0.066756 BFGS: 7672 09:09:36 -188.586091 0.066715 BFGS: 7673 09:09:36 -188.589762 0.354938 BFGS: 7674 09:09:36 -188.586091 0.066702 BFGS: 7675 09:09:36 -188.586091 0.066698 BFGS: 7676 09:09:36 -188.589762 0.355419 BFGS: 7677 09:09:36 -188.589763 0.351312 BFGS: 7678 09:09:37 -188.586091 0.066669 BFGS: 7679 09:09:37 -188.586091 0.066667 BFGS: 7680 09:09:37 -188.589762 0.355311 BFGS: 7681 09:09:37 -188.586091 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-188.586091 0.066998 BFGS: 7731 09:09:39 -188.593431 0.444143 BFGS: 7732 09:09:39 -188.586091 0.067019 BFGS: 7733 09:09:39 -188.589763 0.353163 BFGS: 7734 09:09:39 -188.586091 0.067004 BFGS: 7735 09:09:39 -188.589763 0.351783 BFGS: 7736 09:09:39 -188.589763 0.352229 BFGS: 7737 09:09:39 -188.589763 0.353666 BFGS: 7738 09:09:39 -188.589763 0.353197 BFGS: 7739 09:09:39 -188.586091 0.066138 BFGS: 7740 09:09:40 -188.586091 0.066434 BFGS: 7741 09:09:40 -188.586091 0.066813 BFGS: 7742 09:09:40 -188.589762 0.352855 BFGS: 7743 09:09:40 -188.589763 0.350880 BFGS: 7744 09:09:40 -188.586092 0.065931 BFGS: 7745 09:09:40 -188.586091 0.066420 BFGS: 7746 09:09:40 -188.586091 0.066800 BFGS: 7747 09:09:40 -188.586091 0.066929 BFGS: 7748 09:09:40 -188.589762 0.354927 BFGS: 7749 09:09:40 -188.589763 0.352859 BFGS: 7750 09:09:40 -188.586091 0.064886 BFGS: 7751 09:09:41 -188.586091 0.065876 BFGS: 7752 09:09:41 -188.589762 0.353308 BFGS: 7753 09:09:41 -188.586091 0.066324 BFGS: 7754 09:09:41 -188.586091 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-188.589762 0.355101 BFGS: 8315 09:10:22 -188.586091 0.066429 BFGS: 8316 09:10:22 -188.589763 0.353311 BFGS: 8317 09:10:22 -188.586091 0.066625 BFGS: 8318 09:10:22 -188.586091 0.066753 BFGS: 8319 09:10:22 -188.589762 0.355092 BFGS: 8320 09:10:22 -188.589762 0.354195 BFGS: 8321 09:10:22 -188.586091 0.063136 BFGS: 8322 09:10:22 -188.586091 0.065219 BFGS: 8323 09:10:22 -188.589762 0.355084 BFGS: 8324 09:10:22 -188.586091 0.066426 BFGS: 8325 09:10:22 -188.589763 0.353308 BFGS: 8326 09:10:22 -188.586091 0.066625 BFGS: 8327 09:10:22 -188.586091 0.066754 BFGS: 8328 09:10:22 -188.589762 0.355077 BFGS: 8329 09:10:22 -188.589762 0.354195 BFGS: 8330 09:10:22 -188.586091 0.063072 BFGS: 8331 09:10:22 -188.586091 0.065198 BFGS: 8332 09:10:22 -188.589762 0.355067 BFGS: 8333 09:10:22 -188.586091 0.066423 BFGS: 8334 09:10:22 -188.589763 0.353303 BFGS: 8335 09:10:22 -188.586091 0.066625 BFGS: 8336 09:10:22 -188.586091 0.066756 BFGS: 8337 09:10:22 -188.589762 0.355059 BFGS: 8338 09:10:22 -188.589762 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-188.586091 0.063074 BFGS: 8388 09:10:24 -188.586091 0.065102 BFGS: 8389 09:10:24 -188.589762 0.355234 BFGS: 8390 09:10:24 -188.586091 0.066322 BFGS: 8391 09:10:24 -188.589763 0.352322 BFGS: 8392 09:10:24 -188.586091 0.066528 BFGS: 8393 09:10:24 -188.586091 0.066662 BFGS: 8394 09:10:24 -188.593441 0.441041 BFGS: 8395 09:10:24 -188.586091 0.066678 BFGS: 8396 09:10:24 -188.586091 0.066695 BFGS: 8397 09:10:24 -188.589762 0.355191 BFGS: 8398 09:10:24 -188.589762 0.353557 BFGS: 8399 09:10:24 -188.586091 0.063127 BFGS: 8400 09:10:24 -188.586091 0.065240 BFGS: 8401 09:10:24 -188.589762 0.355144 BFGS: 8402 09:10:24 -188.586091 0.066301 BFGS: 8403 09:10:24 -188.586091 0.066814 BFGS: 8404 09:10:24 -188.589762 0.355253 BFGS: 8405 09:10:25 -188.589762 0.354033 BFGS: 8406 09:10:25 -188.586091 0.063058 BFGS: 8407 09:10:25 -188.586091 0.065159 BFGS: 8408 09:10:25 -188.589762 0.355256 BFGS: 8409 09:10:25 -188.586091 0.066281 BFGS: 8410 09:10:25 -188.586091 0.066853 BFGS: 8411 09:10:25 -188.589761 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-188.589762 0.355361 BFGS: 8461 09:10:26 -188.586091 0.066237 BFGS: 8462 09:10:27 -188.586091 0.066885 BFGS: 8463 09:10:27 -188.593442 0.440147 BFGS: 8464 09:10:27 -188.589763 0.349821 BFGS: 8465 09:10:27 -188.586091 0.066856 BFGS: 8466 09:10:27 -188.586091 0.066867 BFGS: 8467 09:10:27 -188.593442 0.440755 BFGS: 8468 09:10:27 -188.586091 0.066883 BFGS: 8469 09:10:27 -188.589763 0.348955 BFGS: 8470 09:10:27 -188.586091 0.066887 BFGS: 8471 09:10:27 -188.586091 0.066890 BFGS: 8472 09:10:27 -188.589762 0.355058 BFGS: 8473 09:10:27 -188.589762 0.353946 BFGS: 8474 09:10:27 -188.586091 0.064173 BFGS: 8475 09:10:27 -188.586091 0.065739 BFGS: 8476 09:10:27 -188.589762 0.355061 BFGS: 8477 09:10:27 -188.586091 0.066544 BFGS: 8478 09:10:27 -188.589763 0.351500 BFGS: 8479 09:10:27 -188.586091 0.066669 BFGS: 8480 09:10:27 -188.586091 0.066750 BFGS: 8481 09:10:27 -188.589762 0.355119 BFGS: 8482 09:10:27 -188.589763 0.353540 BFGS: 8483 09:10:27 -188.586091 0.063931 BFGS: 8484 09:10:27 -188.586091 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-188.586091 0.064917 BFGS: 8534 09:10:29 -188.589762 0.355085 BFGS: 8535 09:10:29 -188.586091 0.066259 BFGS: 8536 09:10:29 -188.586091 0.066942 BFGS: 8537 09:10:29 -188.589762 0.355086 BFGS: 8538 09:10:29 -188.589762 0.354455 BFGS: 8539 09:10:29 -188.586091 0.062293 BFGS: 8540 09:10:30 -188.586091 0.064873 BFGS: 8541 09:10:30 -188.589762 0.355065 BFGS: 8542 09:10:30 -188.586091 0.066252 BFGS: 8543 09:10:30 -188.586091 0.066956 BFGS: 8544 09:10:30 -188.593441 0.441371 BFGS: 8545 09:10:30 -188.589763 0.351242 BFGS: 8546 09:10:30 -188.586091 0.066921 BFGS: 8547 09:10:30 -188.586091 0.066929 BFGS: 8548 09:10:30 -188.589762 0.355354 BFGS: 8549 09:10:30 -188.589762 0.354450 BFGS: 8550 09:10:30 -188.586091 0.063111 BFGS: 8551 09:10:30 -188.586091 0.065248 BFGS: 8552 09:10:30 -188.589762 0.355296 BFGS: 8553 09:10:30 -188.586091 0.066391 BFGS: 8554 09:10:30 -188.589763 0.351849 BFGS: 8555 09:10:30 -188.586091 0.066575 BFGS: 8556 09:10:30 -188.586091 0.066695 BFGS: 8557 09:10:30 -188.589762 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-188.589762 0.356047 BFGS: 8607 09:10:32 -188.589762 0.354567 BFGS: 8608 09:10:33 -188.586090 0.063771 BFGS: 8609 09:10:33 -188.586091 0.065428 BFGS: 8610 09:10:33 -188.589762 0.356057 BFGS: 8611 09:10:33 -188.586091 0.066324 BFGS: 8612 09:10:33 -188.586091 0.066804 BFGS: 8613 09:10:33 -188.589762 0.355909 BFGS: 8614 09:10:33 -188.589762 0.354608 BFGS: 8615 09:10:33 -188.586090 0.062977 BFGS: 8616 09:10:33 -188.586091 0.065046 BFGS: 8617 09:10:33 -188.589762 0.355883 BFGS: 8618 09:10:33 -188.586091 0.066178 BFGS: 8619 09:10:34 -188.586091 0.066775 BFGS: 8620 09:10:34 -188.593440 0.442434 BFGS: 8621 09:10:34 -188.586091 0.066793 BFGS: 8622 09:10:34 -188.586091 0.066815 BFGS: 8623 09:10:34 -188.589762 0.354005 BFGS: 8624 09:10:34 -188.589763 0.352024 BFGS: 8625 09:10:34 -188.586091 0.062211 BFGS: 8626 09:10:34 -188.586092 0.065713 BFGS: 8627 09:10:34 -188.589762 0.353580 BFGS: 8628 09:10:34 -188.586091 0.066477 BFGS: 8629 09:10:34 -188.586091 0.066754 BFGS: 8630 09:10:34 -188.589762 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-188.589762 0.355284 BFGS: 8680 09:10:37 -188.586091 0.066958 BFGS: 8681 09:10:37 -188.589762 0.353898 BFGS: 8682 09:10:37 -188.589762 0.352043 BFGS: 8683 09:10:37 -188.586091 0.062705 BFGS: 8684 09:10:37 -188.586091 0.065151 BFGS: 8685 09:10:37 -188.589762 0.355057 BFGS: 8686 09:10:37 -188.586091 0.066156 BFGS: 8687 09:10:37 -188.586091 0.066611 BFGS: 8688 09:10:37 -188.589762 0.355324 BFGS: 8689 09:10:37 -188.586091 0.066960 BFGS: 8690 09:10:37 -188.589762 0.354067 BFGS: 8691 09:10:37 -188.589762 0.352440 BFGS: 8692 09:10:37 -188.586091 0.062432 BFGS: 8693 09:10:37 -188.586091 0.064984 BFGS: 8694 09:10:37 -188.589762 0.355149 BFGS: 8695 09:10:37 -188.586091 0.066094 BFGS: 8696 09:10:37 -188.586091 0.066608 BFGS: 8697 09:10:37 -188.589762 0.355341 BFGS: 8698 09:10:37 -188.589762 0.351883 BFGS: 8699 09:10:37 -188.586091 0.062007 BFGS: 8700 09:10:37 -188.586091 0.064696 BFGS: 8701 09:10:37 -188.589761 0.355312 BFGS: 8702 09:10:37 -188.586091 0.066005 BFGS: 8703 09:10:37 -188.586091 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-188.586091 0.066992 BFGS: 8753 09:10:40 -188.589763 0.351650 BFGS: 8754 09:10:40 -188.589763 0.350367 BFGS: 8755 09:10:40 -188.586084 0.064082 BFGS: 8756 09:10:40 -188.586091 0.066740 BFGS: 8757 09:10:40 -188.589763 0.350859 BFGS: 8758 09:10:40 -188.586091 0.066896 BFGS: 8759 09:10:40 -188.586091 0.066945 BFGS: 8760 09:10:40 -188.589763 0.351101 BFGS: 8761 09:10:40 -188.586091 0.066973 BFGS: 8762 09:10:40 -188.586091 0.066989 BFGS: 8763 09:10:40 -188.589763 0.352632 BFGS: 8764 09:10:40 -188.589763 0.350552 BFGS: 8765 09:10:40 -188.586086 0.062846 BFGS: 8766 09:10:40 -188.586091 0.066387 BFGS: 8767 09:10:40 -188.589763 0.352115 BFGS: 8768 09:10:40 -188.586091 0.066760 BFGS: 8769 09:10:40 -188.586091 0.066884 BFGS: 8770 09:10:40 -188.589763 0.352344 BFGS: 8771 09:10:40 -188.586091 0.066954 BFGS: 8772 09:10:41 -188.586091 0.066997 BFGS: 8773 09:10:41 -188.589763 0.353489 BFGS: 8774 09:10:41 -188.589763 0.351386 BFGS: 8775 09:10:41 -188.586087 0.062192 BFGS: 8776 09:10:41 -188.586091 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-188.586091 0.061925 BFGS: 8826 09:10:43 -188.586091 0.064668 BFGS: 8827 09:10:43 -188.589761 0.355114 BFGS: 8828 09:10:43 -188.586091 0.066121 BFGS: 8829 09:10:43 -188.586091 0.066860 BFGS: 8830 09:10:43 -188.593440 0.442219 BFGS: 8831 09:10:43 -188.586091 0.066869 BFGS: 8832 09:10:43 -188.586091 0.066880 BFGS: 8833 09:10:43 -188.589763 0.354175 BFGS: 8834 09:10:43 -188.586091 0.066992 BFGS: 8835 09:10:43 -188.589763 0.352663 BFGS: 8836 09:10:43 -188.589763 0.350722 BFGS: 8837 09:10:43 -188.586088 0.064249 BFGS: 8838 09:10:43 -188.586091 0.066224 BFGS: 8839 09:10:43 -188.589763 0.353836 BFGS: 8840 09:10:43 -188.586091 0.066676 BFGS: 8841 09:10:43 -188.586091 0.066844 BFGS: 8842 09:10:43 -188.589763 0.354023 BFGS: 8843 09:10:43 -188.586091 0.066953 BFGS: 8844 09:10:43 -188.589763 0.350770 BFGS: 8845 09:10:43 -188.586091 0.066969 BFGS: 8846 09:10:43 -188.586091 0.066981 BFGS: 8847 09:10:44 -188.589762 0.354937 BFGS: 8848 09:10:44 -188.589762 0.353979 BFGS: 8849 09:10:44 -188.586091 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-188.586091 0.066980 BFGS: 9702 09:11:35 -188.589762 0.354528 BFGS: 9703 09:11:35 -188.586091 0.067080 BFGS: 9704 09:11:35 -188.589762 0.352647 BFGS: 9705 09:11:35 -188.589763 0.350148 BFGS: 9706 09:11:35 -188.586091 0.065764 BFGS: 9707 09:11:35 -188.586091 0.066428 BFGS: 9708 09:11:36 -188.589762 0.354531 BFGS: 9709 09:11:36 -188.586091 0.066784 BFGS: 9710 09:11:36 -188.586091 0.066964 BFGS: 9711 09:11:36 -188.589762 0.354626 BFGS: 9712 09:11:36 -188.586091 0.067083 BFGS: 9713 09:11:36 -188.589762 0.352742 BFGS: 9714 09:11:36 -188.589763 0.349726 BFGS: 9715 09:11:36 -188.586091 0.065539 BFGS: 9716 09:11:36 -188.586091 0.066311 BFGS: 9717 09:11:36 -188.589762 0.354605 BFGS: 9718 09:11:36 -188.586091 0.066732 BFGS: 9719 09:11:36 -188.586091 0.066946 BFGS: 9720 09:11:36 -188.589762 0.354707 BFGS: 9721 09:11:37 -188.586091 0.067087 BFGS: 9722 09:11:37 -188.589762 0.352824 BFGS: 9723 09:11:37 -188.586091 0.067105 BFGS: 9724 09:11:37 -188.589763 0.351269 BFGS: 9725 09:11:37 -188.589763 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0.350388 BFGS: 9872 09:11:43 -188.586084 0.065118 BFGS: 9873 09:11:43 -188.586091 0.066761 BFGS: 9874 09:11:43 -188.586091 0.067044 BFGS: 9875 09:11:43 -188.589763 0.351531 BFGS: 9876 09:11:43 -188.586091 0.067065 BFGS: 9877 09:11:43 -188.586091 0.067082 BFGS: 9878 09:11:43 -188.589762 0.354224 BFGS: 9879 09:11:43 -188.589762 0.352586 BFGS: 9880 09:11:43 -188.586091 0.061961 BFGS: 9881 09:11:43 -188.586092 0.065344 BFGS: 9882 09:11:43 -188.589762 0.352706 BFGS: 9883 09:11:44 -188.586091 0.066177 BFGS: 9884 09:11:44 -188.586091 0.066515 BFGS: 9885 09:11:44 -188.589762 0.354936 BFGS: 9886 09:11:44 -188.586091 0.066953 BFGS: 9887 09:11:44 -188.589762 0.352684 BFGS: 9888 09:11:44 -188.586091 0.067011 BFGS: 9889 09:11:44 -188.586091 0.067056 BFGS: 9890 09:11:44 -188.589762 0.355031 BFGS: 9891 09:11:44 -188.589762 0.353662 BFGS: 9892 09:11:44 -188.586089 0.061807 BFGS: 9893 09:11:44 -188.586091 0.064895 BFGS: 9894 09:11:44 -188.589763 0.354790 BFGS: 9895 09:11:44 -188.586091 0.066077 BFGS: 9896 09:11:44 -188.586091 0.066617 BFGS: 9897 09:11:44 -188.589762 0.355083 BFGS: 9898 09:11:44 -188.586091 0.067108 BFGS: 9899 09:11:44 -188.589763 0.354013 BFGS: 9900 09:11:44 -188.589763 0.351808 BFGS: 9901 09:11:44 -188.586090 0.062168 BFGS: 9902 09:11:44 -188.586091 0.064744 BFGS: 9903 09:11:45 -188.589762 0.355010 BFGS: 9904 09:11:45 -188.586091 0.066076 BFGS: 9905 09:11:45 -188.586091 0.066739 BFGS: 9906 09:11:45 -188.593439 0.442328 BFGS: 9907 09:11:45 -188.586091 0.066754 BFGS: 9908 09:11:45 -188.586091 0.066770 BFGS: 9909 09:11:45 -188.586091 0.066931 BFGS: 9910 09:11:45 -188.586091 0.067033 BFGS: 9911 09:11:45 -188.589762 0.354618 BFGS: 9912 09:11:46 -188.589762 0.351148 BFGS: 9913 09:11:46 -188.586091 0.062163 BFGS: 9914 09:11:46 -188.586091 0.065133 BFGS: 9915 09:11:46 -188.589762 0.354223 BFGS: 9916 09:11:46 -188.586091 0.066098 BFGS: 9917 09:11:46 -188.586091 0.066524 BFGS: 9918 09:11:46 -188.589762 0.355089 BFGS: 9919 09:11:46 -188.586091 0.066944 BFGS: 9920 09:11:46 -188.589762 0.352778 BFGS: 9921 09:11:46 -188.586091 0.067000 BFGS: 9922 09:11:46 -188.586091 0.067040 BFGS: 9923 09:11:46 -188.589762 0.354964 BFGS: 9924 09:11:46 -188.589762 0.353478 BFGS: 9925 09:11:46 -188.586088 0.062034 BFGS: 9926 09:11:46 -188.586091 0.065183 BFGS: 9927 09:11:46 -188.589763 0.354539 BFGS: 9928 09:11:46 -188.586091 0.066190 BFGS: 9929 09:11:46 -188.586091 0.066621 BFGS: 9930 09:11:47 -188.589762 0.355070 BFGS: 9931 09:11:47 -188.586091 0.067004 BFGS: 9932 09:11:47 -188.589763 0.353214 BFGS: 9933 09:11:47 -188.586091 0.067061 BFGS: 9934 09:11:47 -188.586091 0.067102 BFGS: 9935 09:11:47 -188.589762 0.355029 BFGS: 9936 09:11:47 -188.589762 0.353851 BFGS: 9937 09:11:47 -188.586091 0.061658 BFGS: 9938 09:11:47 -188.586091 0.065024 BFGS: 9939 09:11:48 -188.589762 0.354728 BFGS: 9940 09:11:48 -188.586091 0.066166 BFGS: 9941 09:11:48 -188.586091 0.066657 BFGS: 9942 09:11:48 -188.589762 0.355081 BFGS: 9943 09:11:48 -188.586091 0.067070 BFGS: 9944 09:11:48 -188.589762 0.353686 BFGS: 9945 09:11:48 -188.586091 0.067125 BFGS: 9946 09:11:48 -188.589762 0.351728 BFGS: 9947 09:11:49 -188.586091 0.067129 BFGS: 9948 09:11:49 -188.586091 0.067133 BFGS: 9949 09:11:49 -188.589763 0.352393 BFGS: 9950 09:11:49 -188.589763 0.351160 BFGS: 9951 09:11:49 -188.586085 0.064770 BFGS: 9952 09:11:49 -188.586091 0.066722 BFGS: 9953 09:11:49 -188.586091 0.067104 BFGS: 9954 09:11:49 -188.589763 0.352445 BFGS: 9955 09:11:49 -188.586091 0.067116 BFGS: 9956 09:11:49 -188.586091 0.067128 BFGS: 9957 09:11:49 -188.589762 0.353594 BFGS: 9958 09:11:49 -188.589763 0.352318 BFGS: 9959 09:11:49 -188.586091 0.062518 BFGS: 9960 09:11:50 -188.586092 0.065807 BFGS: 9961 09:11:50 -188.586091 0.067129 BFGS: 9962 09:11:50 -188.589762 0.354163 BFGS: 9963 09:11:50 -188.589762 0.350867 BFGS: 9964 09:11:50 -188.586091 0.062170 BFGS: 9965 09:11:50 -188.586091 0.065358 BFGS: 9966 09:11:50 -188.586091 0.067190 BFGS: 9967 09:11:50 -188.589762 0.354580 BFGS: 9968 09:11:50 -188.589762 0.352641 BFGS: 9969 09:11:51 -188.586091 0.061691 BFGS: 9970 09:11:51 -188.586091 0.065015 BFGS: 9971 09:11:51 -188.589762 0.353274 BFGS: 9972 09:11:51 -188.586091 0.065967 BFGS: 9973 09:11:51 -188.586091 0.066394 BFGS: 9974 09:11:51 -188.589761 0.355049 BFGS: 9975 09:11:51 -188.586091 0.066989 BFGS: 9976 09:11:51 -188.589762 0.353727 BFGS: 9977 09:11:51 -188.586091 0.067071 BFGS: 9978 09:11:51 -188.586091 0.067133 BFGS: 9979 09:11:52 -188.589762 0.355101 BFGS: 9980 09:11:52 -188.589762 0.354048 BFGS: 9981 09:11:52 -188.586089 0.061711 BFGS: 9982 09:11:52 -188.586091 0.064788 BFGS: 9983 09:11:52 -188.589762 0.354967 BFGS: 9984 09:11:52 -188.586091 0.066075 BFGS: 9985 09:11:52 -188.586091 0.066683 BFGS: 9986 09:11:52 -188.589762 0.355072 BFGS: 9987 09:11:53 -188.589763 0.352005 BFGS: 9988 09:11:53 -188.586090 0.061645 BFGS: 9989 09:11:53 -188.586091 0.064501 BFGS: 9990 09:11:53 -188.593441 0.441733 BFGS: 9991 09:11:53 -188.586091 0.064561 BFGS: 9992 09:11:54 -188.586091 0.064620 BFGS: 9993 09:11:54 -188.586092 0.067435 BFGS: 9994 09:11:54 -188.589763 0.354586 BFGS: 9995 09:11:54 -188.589763 0.353177 BFGS: 9996 09:11:54 -188.586089 0.061683 BFGS: 9997 09:11:54 -188.586091 0.065036 BFGS: 9998 09:11:54 -188.589763 0.352746 BFGS: 9999 09:11:55 -188.586091 0.065963 BFGS: 10000 09:11:55 -188.586091 0.066394 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.05869784975095941 eV/Angstrom Maximum stress component: 0.001074280596276607 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 = [[0.80266947 0.44208262 0.07825132] [0.19733053 0.55791738 0.57825132] [0.55791738 0.80266947 0.32825132] [0.44208262 0.19733053 0.82825132] [0.92259028 0.28963594 0.16337791] [0.07740972 0.71036406 0.66337791] [0.71036406 0.92259028 0.41337791] [0.28963594 0.07740972 0.91337791] [0.13052765 0.63050113 0.14327998] [0.86947235 0.36949887 0.64327998] [0.36949887 0.13052765 0.39327998] [0.63050113 0.86947235 0.89327998] [0.10866292 0.76429469 0.20318388] [0.89133708 0.23570531 0.70318388] [0.23570531 0.10866292 0.45318388] [0.76429469 0.89133708 0.95318388] [0.29381646 0.6649467 0.10649405] [0.70618354 0.3350533 0.60649405] [0.3350533 0.29381646 0.35649405] [0.6649467 0.70618354 0.85649405] [0.61603085 0.3943778 0.03246317] [0.38396915 0.6056222 0.53246317] [0.6056222 0.61603085 0.28246317] [0.3943778 0.38396915 0.78246317] [0.94483126 0.63368937 0.06316104] [0.05516874 0.36631063 0.56316104] [0.36631063 0.94483126 0.31316104] [0.63368937 0.05516874 0.81316104] [0.85155193 0.09606369 0.19235574] [0.14844807 0.90393631 0.69235574] [0.90393631 0.85155193 0.44235574] [0.09606369 0.14844807 0.94235574] [0.12134742 0.40694433 0.19613293] [0.87865258 0.59305567 0.69613293] [0.59305567 0.12134742 0.44613293] [0.40694433 0.87865258 0.94613293]] cellpar = Cell([[5.957885339513676, 1.6123861228687006e-16, 2.2141258296446696e-35], [-1.6123861228687114e-16, 5.957885339513676, 5.104481558382074e-18], [-3.0721511762838608e-34, 7.630100554388736e-18, 12.334592853580533]]) forces = [[ 0.02464856 0.00627331 0.0134205 ] [-0.02464856 -0.00627331 0.0134205 ] [-0.00627331 0.02464856 0.0134205 ] [ 0.00627331 -0.02464856 0.0134205 ] [ 0.01026357 -0.02112431 0.01974294] [-0.01026357 0.02112431 0.01974294] [ 0.02112431 0.01026357 0.01974294] [-0.02112431 -0.01026357 0.01974294] [ 0.02536852 0.03059123 0.00560442] [-0.02536852 -0.03059123 0.00560442] [-0.03059123 0.02536852 0.00560442] [ 0.03059123 -0.02536852 0.00560442] [-0.00048116 0.00293005 0.00271996] [ 0.00048116 -0.00293005 0.00271996] [-0.00293005 -0.00048116 0.00271996] [ 0.00293005 0.00048116 0.00271996] [ 0.00355313 0.00074814 -0.00165804] [-0.00355313 -0.00074814 -0.00165804] [-0.00074814 0.00355313 -0.00165804] [ 0.00074814 -0.00355313 -0.00165804] [-0.05869785 -0.01496426 -0.02982298] [ 0.05869785 0.01496426 -0.02982298] [ 0.01496426 -0.05869785 -0.02982298] [-0.01496426 0.05869785 -0.02982298] [-0.00513206 0.02765134 -0.02704832] [ 0.00513206 -0.02765134 -0.02704832] [-0.02765134 -0.00513206 -0.02704832] [ 0.02765134 0.00513206 -0.02704832] [-0.00042226 -0.00196137 0.000826 ] [ 0.00042226 0.00196137 0.000826 ] [ 0.00196137 -0.00042226 0.000826 ] [-0.00196137 0.00042226 0.000826 ] [ 0.00089912 -0.03014533 0.01621552] [-0.00089912 0.03014533 0.01621552] [ 0.03014533 0.00089912 0.01621552] [-0.03014533 -0.00089912 0.01621552]] stress = [-1.07428060e-03 -1.07428060e-03 -6.89760908e-04 1.36358669e-21 1.40699774e-27 1.07335570e-36] energy per atom = -5.154832046634102 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0