element(s): ['C', 'H', 'N', 'O'] AFLOW prototype label: A2B6CD_oP40_59_ef_ef2g_ab_e Parameter names: ['a', 'b/a', 'c/a', 'z1', 'z2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5', 'x6', 'z6', 'x7', '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: ['7.3236', '1.1585969', '0.75876618', '0.45848699', '0.99758986', '0.60556354', '0.84177668', '0.50165683', '0.95920311', '0.37720359', '0.33625509', '0.91681941', '0.84510349', '0.038525585', '0.9600742', '0.087236583', '0.64375762', '0.26673658', '0.12722079', '0.60733933', '0.72937696'] model name: Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'H', 'H', 'H', 'H', 'N', 'N', 'O'] representative atom coordinates = [[0. 0.35556354 0.84177668] [0.66681941 0. 0.84510349] [0. 0.25165683 0.95920311] [0.78852559 0. 0.9600742 ] [0.83723658 0.39375762 0.26673658] [0.87722079 0.35733933 0.72937696] [0. 0. 0.45848699] [0. 0.5 0.99758986] [0. 0.12720359 0.33625509]] spacegroup = 59 cell = [[7.3236, 0, 0], [0, 8.4851, 0], [0, 0, 5.5569]] ========================================= Step Time Energy fmax BFGS: 0 15:56:35 -158.635700 10.2189 BFGS: 1 15:56:35 -160.057786 0.9937 BFGS: 2 15:56:36 -160.358438 0.7752 BFGS: 3 15:56:37 -160.932273 0.7176 BFGS: 4 15:56:37 -161.188165 0.7675 BFGS: 5 15:56:37 -161.478139 0.5870 BFGS: 6 15:56:38 -161.563197 0.2925 BFGS: 7 15:56:39 -161.567832 0.1367 BFGS: 8 15:56:39 -161.568519 0.0446 BFGS: 9 15:56:40 -161.568715 0.0259 BFGS: 10 15:56:40 -161.569093 0.0364 BFGS: 11 15:56:41 -161.569332 0.0536 BFGS: 12 15:56:42 -161.569854 0.0813 BFGS: 13 15:56:42 -161.570670 0.0955 BFGS: 14 15:56:42 -161.572116 0.0862 BFGS: 15 15:56:43 -161.573973 0.0856 BFGS: 16 15:56:44 -161.575920 0.0629 BFGS: 17 15:56:44 -161.577699 0.1030 BFGS: 18 15:56:45 -161.579371 0.1038 BFGS: 19 15:56:45 -161.580828 0.0672 BFGS: 20 15:56:46 -161.581880 0.0407 BFGS: 21 15:56:47 -161.582696 0.0536 BFGS: 22 15:56:48 -161.583823 0.0997 BFGS: 23 15:56:48 -161.586075 0.1487 BFGS: 24 15:56:49 -161.590320 0.1841 BFGS: 25 15:56:50 -161.595511 0.1946 BFGS: 26 15:56:50 -161.600681 0.1454 BFGS: 27 15:56:51 -161.605105 0.1134 BFGS: 28 15:56:51 -161.607806 0.1118 BFGS: 29 15:56:52 -161.611390 0.1307 BFGS: 30 15:56:52 -161.621440 0.2070 BFGS: 31 15:56:53 -161.617383 0.1657 BFGS: 32 15:56:53 -161.620219 0.0875 BFGS: 33 15:56:54 -161.622518 0.0333 BFGS: 34 15:56:54 -161.625213 0.1187 BFGS: 35 15:56:55 -161.628525 0.0727 BFGS: 36 15:56:55 -161.621629 0.0251 BFGS: 37 15:56:56 -161.622865 0.0332 BFGS: 38 15:56:57 -161.628182 0.0859 BFGS: 39 15:56:57 -161.624271 0.0377 BFGS: 40 15:56:58 -161.630371 0.0594 BFGS: 41 15:56:58 -161.625291 0.0342 BFGS: 42 15:56:59 -161.627081 0.0301 BFGS: 43 15:56:59 -161.627620 0.0343 BFGS: 44 15:56:59 -161.633875 0.0626 BFGS: 45 15:57:00 -161.634629 0.0565 BFGS: 46 15:57:00 -161.630061 0.0346 BFGS: 47 15:57:01 -161.635706 0.0464 BFGS: 48 15:57:01 -161.630457 0.0318 BFGS: 49 15:57:02 -161.636181 0.0431 BFGS: 50 15:57:03 -161.636573 0.0432 BFGS: 51 15:57:04 -161.631190 0.0264 BFGS: 52 15:57:04 -161.636925 0.0394 BFGS: 53 15:57:05 -161.631559 0.0369 BFGS: 54 15:57:05 -161.631809 0.0335 BFGS: 55 15:57:07 -161.632122 0.0381 BFGS: 56 15:57:07 -161.632452 0.0373 BFGS: 57 15:57:08 -161.632848 0.0252 BFGS: 58 15:57:09 -161.633093 0.0244 BFGS: 59 15:57:09 -161.633183 0.0170 BFGS: 60 15:57:10 -161.633201 0.0104 BFGS: 61 15:57:10 -161.633208 0.0126 BFGS: 62 15:57:11 -161.633219 0.0161 BFGS: 63 15:57:12 -161.633246 0.0210 BFGS: 64 15:57:12 -161.638748 0.0581 BFGS: 65 15:57:13 -161.638819 0.0485 BFGS: 66 15:57:13 -161.633279 0.0120 BFGS: 67 15:57:14 -161.633345 0.0104 BFGS: 68 15:57:14 -161.638596 0.0782 BFGS: 69 15:57:15 -161.638875 0.0565 BFGS: 70 15:57:15 -161.639029 0.0705 BFGS: 71 15:57:16 -161.639073 0.0705 BFGS: 72 15:57:16 -161.634266 0.0450 BFGS: 73 15:57:17 -161.634972 0.0526 BFGS: 74 15:57:18 -161.635632 0.0549 BFGS: 75 15:57:19 -161.636239 0.0527 BFGS: 76 15:57:19 -161.642092 0.0951 BFGS: 77 15:57:20 -161.642419 0.0883 BFGS: 78 15:57:20 -161.642678 0.0763 BFGS: 79 15:57:20 -161.637306 0.0210 BFGS: 80 15:57:21 -161.637339 0.0167 BFGS: 81 15:57:22 -161.642799 0.0559 BFGS: 82 15:57:22 -161.642853 0.0518 BFGS: 83 15:57:23 -161.637224 0.0181 BFGS: 84 15:57:24 -161.637281 0.0175 BFGS: 85 15:57:24 -161.642795 0.0556 BFGS: 86 15:57:25 -161.637305 0.0172 BFGS: 87 15:57:25 -161.637319 0.0171 BFGS: 88 15:57:26 -161.641803 0.0695 BFGS: 89 15:57:27 -161.642805 0.0559 BFGS: 90 15:57:27 -161.636763 0.0215 BFGS: 91 15:57:28 -161.637017 0.0192 BFGS: 92 15:57:28 -161.642548 0.0616 BFGS: 93 15:57:29 -161.637144 0.0183 BFGS: 94 15:57:29 -161.637214 0.0177 BFGS: 95 15:57:30 -161.640751 0.0772 BFGS: 96 15:57:31 -161.637326 0.0170 BFGS: 97 15:57:31 -161.642675 0.0597 BFGS: 98 15:57:32 -161.637347 0.0168 BFGS: 99 15:57:32 -161.642859 0.0518 BFGS: 100 15:57:33 -161.637353 0.0168 BFGS: 101 15:57:34 -161.637357 0.0168 BFGS: 102 15:57:34 -161.642691 0.0590 BFGS: 103 15:57:35 -161.642846 0.0544 BFGS: 104 15:57:37 -161.637180 0.0169 BFGS: 105 15:57:37 -161.637292 0.0169 BFGS: 106 15:57:38 -161.642717 0.0584 BFGS: 107 15:57:39 -161.637344 0.0170 BFGS: 108 15:57:39 -161.637366 0.0170 BFGS: 109 15:57:39 -161.642449 0.0623 BFGS: 110 15:57:40 -161.642813 0.0563 BFGS: 111 15:57:40 -161.637177 0.0171 BFGS: 112 15:57:41 -161.637278 0.0171 BFGS: 113 15:57:42 -161.642646 0.0600 BFGS: 114 15:57:42 -161.637339 0.0171 BFGS: 115 15:57:43 -161.637371 0.0170 BFGS: 116 15:57:43 -161.642264 0.0646 BFGS: 117 15:57:44 -161.642779 0.0576 BFGS: 118 15:57:44 -161.637153 0.0173 BFGS: 119 15:57:44 -161.637261 0.0172 BFGS: 120 15:57:45 -161.642572 0.0614 BFGS: 121 15:57:46 -161.637336 0.0171 BFGS: 122 15:57:46 -161.637379 0.0170 BFGS: 123 15:57:46 -161.642119 0.0663 BFGS: 124 15:57:47 -161.642742 0.0588 BFGS: 125 15:57:47 -161.637125 0.0174 BFGS: 126 15:57:48 -161.637246 0.0174 BFGS: 127 15:57:48 -161.642492 0.0627 BFGS: 128 15:57:49 -161.637336 0.0172 BFGS: 129 15:57:50 -161.642885 0.0519 BFGS: 130 15:57:50 -161.637355 0.0171 BFGS: 131 15:57:51 -161.637367 0.0170 BFGS: 132 15:57:52 -161.641983 0.0685 BFGS: 133 15:57:52 -161.642729 0.0595 BFGS: 134 15:57:53 -161.637036 0.0178 BFGS: 135 15:57:54 -161.637200 0.0176 BFGS: 136 15:57:55 -161.642400 0.0643 BFGS: 137 15:57:56 -161.637331 0.0172 BFGS: 138 15:57:56 -161.642872 0.0545 BFGS: 139 15:57:56 -161.637359 0.0171 BFGS: 140 15:57:57 -161.637377 0.0170 BFGS: 141 15:57:58 -161.641780 0.0709 BFGS: 142 15:57:59 -161.642673 0.0609 BFGS: 143 15:58:00 -161.636969 0.0181 BFGS: 144 15:58:00 -161.637177 0.0178 BFGS: 145 15:58:01 -161.642257 0.0664 BFGS: 146 15:58:01 -161.637346 0.0172 BFGS: 147 15:58:02 -161.642822 0.0575 BFGS: 148 15:58:02 -161.637383 0.0170 BFGS: 149 15:58:03 -161.642911 0.0499 BFGS: 150 15:58:03 -161.637393 0.0169 BFGS: 151 15:58:04 -161.637399 0.0169 BFGS: 152 15:58:05 -161.641781 0.0730 BFGS: 153 15:58:06 -161.642603 0.0631 BFGS: 154 15:58:07 -161.636931 0.0186 BFGS: 155 15:58:07 -161.637224 0.0177 BFGS: 156 15:58:08 -161.642140 0.0692 BFGS: 157 15:58:09 -161.642858 0.0570 BFGS: 158 15:58:09 -161.636754 0.0193 BFGS: 159 15:58:10 -161.637094 0.0183 BFGS: 160 15:58:11 -161.642383 0.0665 BFGS: 161 15:58:12 -161.637355 0.0172 BFGS: 162 15:58:12 -161.642817 0.0589 BFGS: 163 15:58:13 -161.637416 0.0168 BFGS: 164 15:58:13 -161.642896 0.0556 BFGS: 165 15:58:13 -161.642923 0.0526 BFGS: 166 15:58:14 -161.637186 0.0182 BFGS: 167 15:58:15 -161.637296 0.0174 BFGS: 168 15:58:15 -161.641911 0.0719 BFGS: 169 15:58:16 -161.642797 0.0596 BFGS: 170 15:58:17 -161.636784 0.0192 BFGS: 171 15:58:17 -161.637113 0.0182 BFGS: 172 15:58:18 -161.642290 0.0676 BFGS: 173 15:58:19 -161.637371 0.0171 BFGS: 174 15:58:20 -161.642823 0.0592 BFGS: 175 15:58:21 -161.637430 0.0167 BFGS: 176 15:58:22 -161.642917 0.0554 BFGS: 177 15:58:23 -161.642947 0.0513 BFGS: 178 15:58:24 -161.637264 0.0179 BFGS: 179 15:58:25 -161.637342 0.0172 BFGS: 180 15:58:25 -161.641706 0.0740 BFGS: 181 15:58:26 -161.642765 0.0608 BFGS: 182 15:58:26 -161.636785 0.0193 BFGS: 183 15:58:27 -161.637115 0.0182 BFGS: 184 15:58:27 -161.642224 0.0684 BFGS: 185 15:58:28 -161.637374 0.0171 BFGS: 186 15:58:29 -161.642860 0.0587 BFGS: 187 15:58:29 -161.637433 0.0167 BFGS: 188 15:58:30 -161.642965 0.0521 BFGS: 189 15:58:30 -161.637451 0.0166 BFGS: 190 15:58:31 -161.637460 0.0166 BFGS: 191 15:58:31 -161.642279 0.0698 BFGS: 192 15:58:32 -161.642746 0.0627 BFGS: 193 15:58:33 -161.637116 0.0179 BFGS: 194 15:58:33 -161.637386 0.0170 BFGS: 195 15:58:34 -161.642419 0.0680 BFGS: 196 15:58:34 -161.642854 0.0604 BFGS: 197 15:58:35 -161.637042 0.0182 BFGS: 198 15:58:35 -161.637330 0.0172 BFGS: 199 15:58:36 -161.642526 0.0667 BFGS: 200 15:58:37 -161.642936 0.0580 BFGS: 201 15:58:38 -161.636987 0.0184 BFGS: 202 15:58:38 -161.637291 0.0174 BFGS: 203 15:58:39 -161.642605 0.0658 BFGS: 204 15:58:39 -161.642997 0.0546 BFGS: 205 15:58:40 -161.636947 0.0187 BFGS: 206 15:58:40 -161.637269 0.0175 BFGS: 207 15:58:41 -161.642656 0.0651 BFGS: 208 15:58:42 -161.637509 0.0165 BFGS: 209 15:58:43 -161.642902 0.0602 BFGS: 210 15:58:44 -161.642985 0.0571 BFGS: 211 15:58:44 -161.636978 0.0185 BFGS: 212 15:58:45 -161.637285 0.0174 BFGS: 213 15:58:46 -161.642636 0.0656 BFGS: 214 15:58:47 -161.637520 0.0164 BFGS: 215 15:58:47 -161.642921 0.0602 BFGS: 216 15:58:48 -161.643013 0.0565 BFGS: 217 15:58:49 -161.636970 0.0186 BFGS: 218 15:58:49 -161.637279 0.0175 BFGS: 219 15:58:49 -161.642646 0.0657 BFGS: 220 15:58:50 -161.637514 0.0165 BFGS: 221 15:58:50 -161.642969 0.0593 BFGS: 222 15:58:51 -161.643067 0.0528 BFGS: 223 15:58:51 -161.637183 0.0181 BFGS: 224 15:58:51 -161.637375 0.0171 BFGS: 225 15:58:52 -161.642493 0.0680 BFGS: 226 15:58:52 -161.643079 0.0536 BFGS: 227 15:58:53 -161.636965 0.0187 BFGS: 228 15:58:54 -161.637285 0.0175 BFGS: 229 15:58:54 -161.642685 0.0656 BFGS: 230 15:58:55 -161.637519 0.0165 BFGS: 231 15:58:55 -161.643050 0.0577 BFGS: 232 15:58:56 -161.637578 0.0161 BFGS: 233 15:58:57 -161.643118 0.0492 BFGS: 234 15:58:57 -161.637601 0.0160 BFGS: 235 15:58:58 -161.637613 0.0160 BFGS: 236 15:59:00 -161.643184 0.0612 BFGS: 237 15:59:00 -161.643213 0.0613 BFGS: 238 15:59:01 -161.643429 0.0612 BFGS: 239 15:59:01 -161.643636 0.0587 BFGS: 240 15:59:02 -161.638207 0.0123 BFGS: 241 15:59:02 -161.638219 0.0114 BFGS: 242 15:59:03 -161.638225 0.0105 BFGS: 243 15:59:04 -161.638231 0.0100 BFGS: 244 15:59:04 -161.643507 0.0681 BFGS: 245 15:59:05 -161.643746 0.0571 BFGS: 246 15:59:05 -161.638092 0.0140 BFGS: 247 15:59:06 -161.638140 0.0125 BFGS: 248 15:59:07 -161.638204 0.0093 BFGS: 249 15:59:08 -161.643483 0.0690 BFGS: 250 15:59:09 -161.638216 0.0096 BFGS: 251 15:59:09 -161.638224 0.0098 BFGS: 252 15:59:10 -161.643397 0.0667 BFGS: 253 15:59:11 -161.643743 0.0578 BFGS: 254 15:59:11 -161.638101 0.0093 BFGS: 255 15:59:12 -161.638143 0.0101 BFGS: 256 15:59:13 -161.638210 0.0116 BFGS: 257 15:59:14 -161.643401 0.0650 BFGS: 258 15:59:14 -161.638220 0.0115 BFGS: 259 15:59:15 -161.638228 0.0113 BFGS: 260 15:59:15 -161.640390 0.0918 BFGS: 261 15:59:16 -161.643493 0.0665 BFGS: 262 15:59:17 -161.636933 0.0213 BFGS: 263 15:59:18 -161.637409 0.0185 BFGS: 264 15:59:19 -161.637951 0.0127 BFGS: 265 15:59:19 -161.640504 0.0917 BFGS: 266 15:59:19 -161.638042 0.0114 BFGS: 267 15:59:20 -161.638114 0.0106 BFGS: 268 15:59:21 -161.636428 0.1101 BFGS: 269 15:59:21 -161.638213 0.0100 BFGS: 270 15:59:22 -161.643349 0.0692 BFGS: 271 15:59:22 -161.638226 0.0100 BFGS: 272 15:59:23 -161.643728 0.0598 BFGS: 273 15:59:23 -161.638230 0.0102 BFGS: 274 15:59:24 -161.638232 0.0103 BFGS: 275 15:59:24 -161.643693 0.0611 BFGS: 276 15:59:25 -161.638236 0.0105 BFGS: 277 15:59:25 -161.643746 0.0566 BFGS: 278 15:59:26 -161.638236 0.0106 BFGS: 279 15:59:27 -161.643752 0.0524 BFGS: 280 15:59:28 -161.643753 0.0474 BFGS: 281 15:59:28 -161.638236 0.0116 BFGS: 282 15:59:29 -161.638236 0.0108 BFGS: 283 15:59:29 -161.638237 0.0091 BFGS: 284 15:59:30 -161.643740 0.0611 BFGS: 285 15:59:30 -161.643752 0.0534 BFGS: 286 15:59:31 -161.638218 0.0187 BFGS: 287 15:59:31 -161.638227 0.0143 BFGS: 288 15:59:32 -161.638234 0.0070 BFGS: 289 15:59:33 -161.643741 0.0619 BFGS: 290 15:59:33 -161.638236 0.0086 BFGS: 291 15:59:34 -161.638237 0.0095 BFGS: 292 15:59:35 -161.643747 0.0549 BFGS: 293 15:59:35 -161.638237 0.0105 BFGS: 294 15:59:36 -161.638238 0.0108 BFGS: 295 15:59:36 -161.643725 0.0562 BFGS: 296 15:59:37 -161.643750 0.0552 BFGS: 297 15:59:38 -161.638185 0.0089 BFGS: 298 15:59:39 -161.638213 0.0066 BFGS: 299 15:59:39 -161.643748 0.0503 BFGS: 300 15:59:40 -161.638223 0.0089 BFGS: 301 15:59:40 -161.638227 0.0105 BFGS: 302 15:59:41 -161.643735 0.0531 BFGS: 303 15:59:42 -161.638230 0.0113 BFGS: 304 15:59:42 -161.638232 0.0117 BFGS: 305 15:59:43 -161.643617 0.0577 BFGS: 306 15:59:43 -161.638236 0.0120 BFGS: 307 15:59:44 -161.643748 0.0552 BFGS: 308 15:59:44 -161.638237 0.0117 BFGS: 309 15:59:45 -161.638237 0.0115 BFGS: 310 15:59:45 -161.643549 0.0764 BFGS: 311 15:59:46 -161.643732 0.0602 BFGS: 312 15:59:47 -161.637945 0.0476 BFGS: 313 15:59:47 -161.638113 0.0289 BFGS: 314 15:59:48 -161.643659 0.0750 BFGS: 315 15:59:48 -161.638172 0.0184 BFGS: 316 15:59:49 -161.638193 0.0135 BFGS: 317 15:59:49 -161.643651 0.0759 BFGS: 318 15:59:50 -161.638205 0.0107 BFGS: 319 15:59:50 -161.638212 0.0091 BFGS: 320 15:59:51 -161.643356 0.0856 BFGS: 321 15:59:51 -161.638224 0.0074 BFGS: 322 15:59:52 -161.638233 0.0068 BFGS: 323 15:59:52 -161.642128 0.1031 BFGS: 324 15:59:53 -161.643603 0.0704 BFGS: 325 15:59:54 -161.637930 0.0275 BFGS: 326 15:59:54 -161.638023 0.0209 BFGS: 327 15:59:55 -161.643410 0.0805 BFGS: 328 15:59:55 -161.638087 0.0156 BFGS: 329 15:59:55 -161.638127 0.0122 BFGS: 330 15:59:56 -161.642866 0.0915 BFGS: 331 15:59:57 -161.638167 0.0093 BFGS: 332 15:59:57 -161.638196 0.0073 BFGS: 333 15:59:58 -161.642194 0.0971 BFGS: 334 15:59:58 -161.638233 0.0066 BFGS: 335 15:59:58 -161.643592 0.0709 BFGS: 336 15:59:59 -161.643731 0.0635 BFGS: 337 15:59:59 -161.637963 0.0204 BFGS: 338 15:59:59 -161.638030 0.0166 BFGS: 339 15:59:59 -161.643199 0.0818 BFGS: 340 15:59:59 -161.638089 0.0132 BFGS: 341 15:59:59 -161.638131 0.0108 BFGS: 342 16:00:00 -161.642552 0.0908 BFGS: 343 16:00:01 -161.638176 0.0086 BFGS: 344 16:00:01 -161.638211 0.0070 BFGS: 345 16:00:02 -161.641739 0.0966 BFGS: 346 16:00:02 -161.643642 0.0685 BFGS: 347 16:00:03 -161.637853 0.0201 BFGS: 348 16:00:03 -161.637943 0.0167 BFGS: 349 16:00:04 -161.643333 0.0771 BFGS: 350 16:00:05 -161.638016 0.0138 BFGS: 351 16:00:05 -161.638070 0.0117 BFGS: 352 16:00:06 -161.642613 0.0868 BFGS: 353 16:00:06 -161.638127 0.0097 BFGS: 354 16:00:07 -161.638173 0.0082 BFGS: 355 16:00:07 -161.641763 0.0934 BFGS: 356 16:00:08 -161.638226 0.0069 BFGS: 357 16:00:08 -161.643577 0.0698 BFGS: 358 16:00:09 -161.638233 0.0071 BFGS: 359 16:00:09 -161.643738 0.0616 BFGS: 360 16:00:10 -161.638235 0.0074 BFGS: 361 16:00:11 -161.638236 0.0077 BFGS: 362 16:00:12 -161.643568 0.0573 BFGS: 363 16:00:12 -161.643729 0.0607 BFGS: 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0.0123 BFGS: 5459 16:38:20 -161.638229 0.0129 BFGS: 5460 16:38:20 -161.642595 0.0673 BFGS: 5461 16:38:21 -161.638259 0.0133 BFGS: 5462 16:38:21 -161.643700 0.0598 BFGS: 5463 16:38:21 -161.638263 0.0132 BFGS: 5464 16:38:21 -161.638266 0.0131 BFGS: 5465 16:38:21 -161.642544 0.0774 BFGS: 5466 16:38:22 -161.643656 0.0624 BFGS: 5467 16:38:22 -161.638052 0.0173 BFGS: 5468 16:38:23 -161.638105 0.0158 BFGS: 5469 16:38:23 -161.643496 0.0681 BFGS: 5470 16:38:23 -161.638149 0.0143 BFGS: 5471 16:38:24 -161.638181 0.0133 BFGS: 5472 16:38:24 -161.643128 0.0741 BFGS: 5473 16:38:25 -161.638214 0.0123 BFGS: 5474 16:38:25 -161.638238 0.0116 BFGS: 5475 16:38:25 -161.642753 0.0776 BFGS: 5476 16:38:26 -161.638265 0.0110 BFGS: 5477 16:38:26 -161.643698 0.0630 BFGS: 5478 16:38:26 -161.638269 0.0110 BFGS: 5479 16:38:26 -161.643783 0.0548 BFGS: 5480 16:38:27 -161.638269 0.0111 BFGS: 5481 16:38:27 -161.638269 0.0112 BFGS: 5482 16:38:28 -161.643680 0.0593 BFGS: 5483 16:38:28 -161.643778 0.0562 BFGS: 5484 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0.0582 BFGS: 5510 16:38:42 -161.638067 0.0116 BFGS: 5511 16:38:43 -161.638130 0.0102 BFGS: 5512 16:38:43 -161.643523 0.0598 BFGS: 5513 16:38:44 -161.638172 0.0101 BFGS: 5514 16:38:44 -161.638198 0.0112 BFGS: 5515 16:38:44 -161.643146 0.0609 BFGS: 5516 16:38:45 -161.638222 0.0124 BFGS: 5517 16:38:45 -161.638239 0.0133 BFGS: 5518 16:38:45 -161.642780 0.0629 BFGS: 5519 16:38:45 -161.638258 0.0140 BFGS: 5520 16:38:45 -161.643718 0.0581 BFGS: 5521 16:38:45 -161.638261 0.0139 BFGS: 5522 16:38:46 -161.638263 0.0138 BFGS: 5523 16:38:46 -161.642675 0.0775 BFGS: 5524 16:38:47 -161.643657 0.0620 BFGS: 5525 16:38:47 -161.638032 0.0200 BFGS: 5526 16:38:48 -161.638101 0.0178 BFGS: 5527 16:38:48 -161.643614 0.0654 BFGS: 5528 16:38:48 -161.638152 0.0158 BFGS: 5529 16:38:49 -161.638185 0.0145 BFGS: 5530 16:38:49 -161.643318 0.0723 BFGS: 5531 16:38:50 -161.638217 0.0131 BFGS: 5532 16:38:50 -161.638239 0.0122 BFGS: 5533 16:38:51 -161.642956 0.0774 BFGS: 5534 16:38:51 -161.638262 0.0112 BFGS: 5535 16:38:52 -161.643739 0.0613 BFGS: 5536 16:38:52 -161.638265 0.0112 BFGS: 5537 16:38:52 -161.638267 0.0111 BFGS: 5538 16:38:53 -161.642295 0.0793 BFGS: 5539 16:38:53 -161.643642 0.0643 BFGS: 5540 16:38:53 -161.638029 0.0145 BFGS: 5541 16:38:54 -161.638081 0.0137 BFGS: 5542 16:38:54 -161.643407 0.0689 BFGS: 5543 16:38:54 -161.638127 0.0130 BFGS: 5544 16:38:55 -161.638163 0.0124 BFGS: 5545 16:38:55 -161.642956 0.0739 BFGS: 5546 16:38:55 -161.638202 0.0118 BFGS: 5547 16:38:55 -161.638232 0.0114 BFGS: 5548 16:38:55 -161.642510 0.0774 BFGS: 5549 16:38:55 -161.638265 0.0110 BFGS: 5550 16:38:55 -161.643669 0.0637 BFGS: 5551 16:38:56 -161.638269 0.0110 BFGS: 5552 16:38:56 -161.643775 0.0574 BFGS: 5553 16:38:56 -161.638270 0.0111 BFGS: 5554 16:38:57 -161.638270 0.0111 BFGS: 5555 16:38:57 -161.643237 0.0614 BFGS: 5556 16:38:57 -161.643725 0.0604 BFGS: 5557 16:38:58 -161.638021 0.0140 BFGS: 5558 16:38:58 -161.638133 0.0116 BFGS: 5559 16:38:59 -161.643471 0.0601 BFGS: 5560 16:38:59 -161.638196 0.0097 BFGS: 5561 16:39:00 -161.638226 0.0096 BFGS: 5562 16:39:00 -161.643407 0.0595 BFGS: 5563 16:39:01 -161.638244 0.0110 BFGS: 5564 16:39:01 -161.638255 0.0121 BFGS: 5565 16:39:01 -161.643273 0.0601 BFGS: 5566 16:39:02 -161.638265 0.0129 BFGS: 5567 16:39:02 -161.643748 0.0576 BFGS: 5568 16:39:03 -161.638266 0.0129 BFGS: 5569 16:39:03 -161.638267 0.0129 BFGS: 5570 16:39:03 -161.642246 0.0764 BFGS: 5571 16:39:04 -161.643615 0.0631 BFGS: 5572 16:39:04 -161.638005 0.0149 BFGS: 5573 16:39:05 -161.638071 0.0141 BFGS: 5574 16:39:05 -161.643504 0.0663 BFGS: 5575 16:39:05 -161.638123 0.0133 BFGS: 5576 16:39:06 -161.638161 0.0127 BFGS: 5577 16:39:06 -161.643107 0.0714 BFGS: 5578 16:39:06 -161.638199 0.0122 BFGS: 5579 16:39:07 -161.638228 0.0119 BFGS: 5580 16:39:07 -161.642615 0.0755 BFGS: 5581 16:39:08 -161.638260 0.0115 BFGS: 5582 16:39:08 -161.643709 0.0619 BFGS: 5583 16:39:09 -161.638264 0.0115 BFGS: 5584 16:39:09 -161.638267 0.0115 BFGS: 5585 16:39:09 -161.642249 0.0754 BFGS: 5586 16:39:10 -161.643634 0.0636 BFGS: 5587 16:39:10 -161.638025 0.0116 BFGS: 5588 16:39:10 -161.638077 0.0116 BFGS: 5589 16:39:11 -161.643389 0.0671 BFGS: 5590 16:39:11 -161.638124 0.0116 BFGS: 5591 16:39:12 -161.638160 0.0116 BFGS: 5592 16:39:12 -161.642931 0.0708 BFGS: 5593 16:39:13 -161.638200 0.0117 BFGS: 5594 16:39:13 -161.638231 0.0117 BFGS: 5595 16:39:13 -161.642484 0.0735 BFGS: 5596 16:39:14 -161.638265 0.0118 BFGS: 5597 16:39:14 -161.643664 0.0627 BFGS: 5598 16:39:14 -161.638270 0.0118 BFGS: 5599 16:39:15 -161.643774 0.0569 BFGS: 5600 16:39:15 -161.638270 0.0118 BFGS: 5601 16:39:16 -161.643786 0.0498 BFGS: 5602 16:39:16 -161.638270 0.0118 BFGS: 5603 16:39:17 -161.638270 0.0118 BFGS: 5604 16:39:17 -161.643730 0.0590 BFGS: 5605 16:39:18 -161.643781 0.0550 BFGS: 5606 16:39:18 -161.638199 0.0128 BFGS: 5607 16:39:18 -161.638244 0.0105 BFGS: 5608 16:39:19 -161.643742 0.0582 BFGS: 5609 16:39:19 -161.638259 0.0112 BFGS: 5610 16:39:19 -161.638264 0.0117 BFGS: 5611 16:39:20 -161.643745 0.0580 BFGS: 5612 16:39:20 -161.638266 0.0119 BFGS: 5613 16:39:21 -161.638267 0.0121 BFGS: 5614 16:39:21 -161.643731 0.0588 BFGS: 5615 16:39:22 -161.638269 0.0122 BFGS: 5616 16:39:22 -161.643784 0.0516 BFGS: 5617 16:39:22 -161.638269 0.0122 BFGS: 5618 16:39:23 -161.638269 0.0122 BFGS: 5619 16:39:23 -161.641981 0.1016 BFGS: 5620 16:39:24 -161.643609 0.0665 BFGS: 5621 16:39:24 -161.637942 0.0350 BFGS: 5622 16:39:25 -161.638044 0.0283 BFGS: 5623 16:39:25 -161.643281 0.0784 BFGS: 5624 16:39:25 -161.638120 0.0225 BFGS: 5625 16:39:26 -161.638169 0.0185 BFGS: 5626 16:39:26 -161.642624 0.0931 BFGS: 5627 16:39:27 -161.638217 0.0143 BFGS: 5628 16:39:27 -161.638251 0.0112 BFGS: 5629 16:39:28 -161.642123 0.1012 BFGS: 5630 16:39:28 -161.643715 0.0646 BFGS: 5631 16:39:28 -161.637929 0.0339 BFGS: 5632 16:39:28 -161.638032 0.0272 BFGS: 5633 16:39:29 -161.643344 0.0786 BFGS: 5634 16:39:29 -161.638107 0.0216 BFGS: 5635 16:39:29 -161.638157 0.0177 BFGS: 5636 16:39:29 -161.642773 0.0914 BFGS: 5637 16:39:30 -161.638203 0.0137 BFGS: 5638 16:39:30 -161.638235 0.0107 BFGS: 5639 16:39:30 -161.642314 0.0988 BFGS: 5640 16:39:31 -161.638266 0.0080 BFGS: 5641 16:39:31 -161.643658 0.0687 BFGS: 5642 16:39:31 -161.643780 0.0581 BFGS: 5643 16:39:32 -161.638124 0.0198 BFGS: 5644 16:39:32 -161.638158 0.0172 BFGS: 5645 16:39:33 -161.642825 0.0896 BFGS: 5646 16:39:33 -161.638203 0.0135 BFGS: 5647 16:39:33 -161.638234 0.0108 BFGS: 5648 16:39:34 -161.642363 0.0970 BFGS: 5649 16:39:34 -161.638264 0.0082 BFGS: 5650 16:39:35 -161.643667 0.0682 BFGS: 5651 16:39:36 -161.638268 0.0080 BFGS: 5652 16:39:36 -161.643771 0.0607 BFGS: 5653 16:39:36 -161.638268 0.0081 BFGS: 5654 16:39:36 -161.643783 0.0558 BFGS: 5655 16:39:37 -161.643784 0.0505 BFGS: 5656 16:39:37 -161.638266 0.0095 BFGS: 5657 16:39:38 -161.638267 0.0094 BFGS: 5658 16:39:38 -161.642819 0.0899 BFGS: 5659 16:39:39 -161.643699 0.0657 BFGS: 5660 16:39:39 -161.638063 0.0262 BFGS: 5661 16:39:39 -161.638127 0.0214 BFGS: 5662 16:39:40 -161.643634 0.0709 BFGS: 5663 16:39:40 -161.638169 0.0175 BFGS: 5664 16:39:41 -161.638195 0.0148 BFGS: 5665 16:39:41 -161.643233 0.0841 BFGS: 5666 16:39:42 -161.638222 0.0119 BFGS: 5667 16:39:42 -161.638241 0.0098 BFGS: 5668 16:39:42 -161.642698 0.0943 BFGS: 5669 16:39:43 -161.638263 0.0080 BFGS: 5670 16:39:43 -161.643708 0.0670 BFGS: 5671 16:39:44 -161.638266 0.0080 BFGS: 5672 16:39:44 -161.638269 0.0079 BFGS: 5673 16:39:45 -161.641777 0.0759 BFGS: 5674 16:39:45 -161.643569 0.0677 BFGS: 5675 16:39:45 -161.637937 0.0117 BFGS: 5676 16:39:46 -161.638025 0.0106 BFGS: 5677 16:39:46 -161.643285 0.0665 BFGS: 5678 16:39:47 -161.638096 0.0094 BFGS: 5679 16:39:47 -161.638144 0.0087 BFGS: 5680 16:39:47 -161.642724 0.0665 BFGS: 5681 16:39:48 -161.638191 0.0102 BFGS: 5682 16:39:48 -161.638225 0.0112 BFGS: 5683 16:39:48 -161.642145 0.0682 BFGS: 5684 16:39:48 -161.638262 0.0121 BFGS: 5685 16:39:49 -161.643643 0.0622 BFGS: 5686 16:39:49 -161.638266 0.0121 BFGS: 5687 16:39:50 -161.643769 0.0570 BFGS: 5688 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16:40:29 -161.638220 0.0113 BFGS: 5791 16:40:30 -161.638251 0.0095 BFGS: 5792 16:40:30 -161.643758 0.0568 BFGS: 5793 16:40:31 -161.638261 0.0104 BFGS: 5794 16:40:31 -161.638264 0.0111 BFGS: 5795 16:40:32 -161.643760 0.0565 BFGS: 5796 16:40:32 -161.638266 0.0116 BFGS: 5797 16:40:32 -161.638267 0.0118 BFGS: 5798 16:40:33 -161.643734 0.0579 BFGS: 5799 16:40:33 -161.638268 0.0121 BFGS: 5800 16:40:33 -161.638269 0.0122 BFGS: 5801 16:40:34 -161.643619 0.0606 BFGS: 5802 16:40:34 -161.643768 0.0570 BFGS: 5803 16:40:34 -161.638093 0.0149 BFGS: 5804 16:40:35 -161.638190 0.0116 BFGS: 5805 16:40:35 -161.643668 0.0589 BFGS: 5806 16:40:36 -161.638228 0.0104 BFGS: 5807 16:40:36 -161.638243 0.0114 BFGS: 5808 16:40:36 -161.643667 0.0588 BFGS: 5809 16:40:37 -161.638251 0.0121 BFGS: 5810 16:40:37 -161.638256 0.0124 BFGS: 5811 16:40:37 -161.643582 0.0607 BFGS: 5812 16:40:37 -161.638261 0.0127 BFGS: 5813 16:40:37 -161.638265 0.0128 BFGS: 5814 16:40:37 -161.643274 0.0648 BFGS: 5815 16:40:37 -161.643743 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0.0134 BFGS: 5969 16:41:35 -161.641557 0.0806 BFGS: 5970 16:41:35 -161.638128 0.0129 BFGS: 5971 16:41:35 -161.638202 0.0125 BFGS: 5972 16:41:35 -161.640380 0.0873 BFGS: 5973 16:41:36 -161.643761 0.0583 BFGS: 5974 16:41:36 -161.637556 0.0158 BFGS: 5975 16:41:37 -161.637745 0.0149 BFGS: 5976 16:41:37 -161.643020 0.0707 BFGS: 5977 16:41:37 -161.637885 0.0142 BFGS: 5978 16:41:38 -161.637987 0.0137 BFGS: 5979 16:41:38 -161.641771 0.0794 BFGS: 5980 16:41:38 -161.638090 0.0131 BFGS: 5981 16:41:38 -161.638168 0.0127 BFGS: 5982 16:41:39 -161.640574 0.0864 BFGS: 5983 16:41:39 -161.638247 0.0122 BFGS: 5984 16:41:39 -161.643578 0.0645 BFGS: 5985 16:41:39 -161.638257 0.0121 BFGS: 5986 16:41:39 -161.638266 0.0120 BFGS: 5987 16:41:39 -161.639784 0.0919 BFGS: 5988 16:41:39 -161.643439 0.0667 BFGS: 5989 16:41:39 -161.637607 0.0167 BFGS: 5990 16:41:39 -161.637779 0.0155 BFGS: 5991 16:41:39 -161.642719 0.0739 BFGS: 5992 16:41:40 -161.637917 0.0145 BFGS: 5993 16:41:40 -161.638018 0.0137 BFGS: 5994 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0.0128 BFGS: 6071 16:42:05 -161.638196 0.0123 BFGS: 6072 16:42:06 -161.640208 0.0891 BFGS: 6073 16:42:06 -161.643775 0.0569 BFGS: 6074 16:42:06 -161.637499 0.0165 BFGS: 6075 16:42:06 -161.637713 0.0152 BFGS: 6076 16:42:07 -161.642928 0.0720 BFGS: 6077 16:42:07 -161.637865 0.0143 BFGS: 6078 16:42:08 -161.637974 0.0137 BFGS: 6079 16:42:08 -161.641608 0.0811 BFGS: 6080 16:42:08 -161.638083 0.0130 BFGS: 6081 16:42:09 -161.638166 0.0125 BFGS: 6082 16:42:09 -161.640387 0.0880 BFGS: 6083 16:42:10 -161.638247 0.0120 BFGS: 6084 16:42:10 -161.643567 0.0649 BFGS: 6085 16:42:10 -161.638257 0.0119 BFGS: 6086 16:42:11 -161.638266 0.0118 BFGS: 6087 16:42:11 -161.639704 0.0921 BFGS: 6088 16:42:12 -161.643434 0.0670 BFGS: 6089 16:42:13 -161.637597 0.0162 BFGS: 6090 16:42:13 -161.637772 0.0150 BFGS: 6091 16:42:14 -161.642675 0.0742 BFGS: 6092 16:42:14 -161.637913 0.0141 BFGS: 6093 16:42:15 -161.638016 0.0135 BFGS: 6094 16:42:15 -161.641400 0.0825 BFGS: 6095 16:42:16 -161.638118 0.0128 BFGS: 6096 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0.0123 BFGS: 6122 16:42:26 -161.640209 0.0892 BFGS: 6123 16:42:26 -161.643777 0.0565 BFGS: 6124 16:42:26 -161.637499 0.0166 BFGS: 6125 16:42:26 -161.637714 0.0153 BFGS: 6126 16:42:26 -161.642925 0.0721 BFGS: 6127 16:42:26 -161.637866 0.0144 BFGS: 6128 16:42:26 -161.637975 0.0137 BFGS: 6129 16:42:26 -161.641605 0.0812 BFGS: 6130 16:42:26 -161.638084 0.0130 BFGS: 6131 16:42:27 -161.638166 0.0125 BFGS: 6132 16:42:27 -161.640384 0.0882 BFGS: 6133 16:42:27 -161.638247 0.0119 BFGS: 6134 16:42:28 -161.643567 0.0650 BFGS: 6135 16:42:28 -161.638258 0.0119 BFGS: 6136 16:42:28 -161.638266 0.0118 BFGS: 6137 16:42:29 -161.639698 0.0922 BFGS: 6138 16:42:29 -161.643435 0.0670 BFGS: 6139 16:42:29 -161.637596 0.0162 BFGS: 6140 16:42:30 -161.637772 0.0150 BFGS: 6141 16:42:30 -161.642673 0.0742 BFGS: 6142 16:42:31 -161.637913 0.0141 BFGS: 6143 16:42:31 -161.638016 0.0135 BFGS: 6144 16:42:31 -161.641396 0.0826 BFGS: 6145 16:42:32 -161.638118 0.0128 BFGS: 6146 16:42:32 -161.638196 0.0123 BFGS: 6147 16:42:33 -161.640211 0.0892 BFGS: 6148 16:42:33 -161.643778 0.0563 BFGS: 6149 16:42:33 -161.637499 0.0165 BFGS: 6150 16:42:34 -161.637715 0.0153 BFGS: 6151 16:42:34 -161.642924 0.0721 BFGS: 6152 16:42:35 -161.637867 0.0144 BFGS: 6153 16:42:35 -161.637976 0.0137 BFGS: 6154 16:42:35 -161.641604 0.0812 BFGS: 6155 16:42:35 -161.638084 0.0130 BFGS: 6156 16:42:36 -161.638166 0.0125 BFGS: 6157 16:42:36 -161.640384 0.0882 BFGS: 6158 16:42:36 -161.638248 0.0119 BFGS: 6159 16:42:36 -161.643567 0.0650 BFGS: 6160 16:42:37 -161.638258 0.0118 BFGS: 6161 16:42:37 -161.638266 0.0118 BFGS: 6162 16:42:38 -161.639697 0.0922 BFGS: 6163 16:42:38 -161.643435 0.0670 BFGS: 6164 16:42:38 -161.637596 0.0162 BFGS: 6165 16:42:39 -161.637772 0.0150 BFGS: 6166 16:42:39 -161.642673 0.0742 BFGS: 6167 16:42:40 -161.637913 0.0141 BFGS: 6168 16:42:40 -161.638016 0.0135 BFGS: 6169 16:42:40 -161.641396 0.0826 BFGS: 6170 16:42:41 -161.638118 0.0128 BFGS: 6171 16:42:42 -161.638196 0.0123 BFGS: 6172 16:42:42 -161.640212 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16:42:52 -161.643779 0.0559 BFGS: 6199 16:42:53 -161.637500 0.0165 BFGS: 6200 16:42:54 -161.637716 0.0152 BFGS: 6201 16:42:54 -161.642918 0.0721 BFGS: 6202 16:42:54 -161.637868 0.0143 BFGS: 6203 16:42:55 -161.637977 0.0137 BFGS: 6204 16:42:55 -161.641598 0.0812 BFGS: 6205 16:42:56 -161.638085 0.0130 BFGS: 6206 16:42:56 -161.638167 0.0125 BFGS: 6207 16:42:56 -161.640379 0.0882 BFGS: 6208 16:42:57 -161.638248 0.0119 BFGS: 6209 16:42:57 -161.643566 0.0650 BFGS: 6210 16:42:58 -161.638258 0.0118 BFGS: 6211 16:42:58 -161.638266 0.0118 BFGS: 6212 16:42:59 -161.639692 0.0922 BFGS: 6213 16:42:59 -161.643434 0.0670 BFGS: 6214 16:43:00 -161.637596 0.0162 BFGS: 6215 16:43:00 -161.637772 0.0150 BFGS: 6216 16:43:00 -161.642672 0.0742 BFGS: 6217 16:43:01 -161.637914 0.0141 BFGS: 6218 16:43:01 -161.638017 0.0134 BFGS: 6219 16:43:01 -161.641394 0.0826 BFGS: 6220 16:43:02 -161.638118 0.0128 BFGS: 6221 16:43:02 -161.638196 0.0122 BFGS: 6222 16:43:02 -161.640210 0.0892 BFGS: 6223 16:43:03 -161.643780 0.0558 BFGS: 6224 16:43:03 -161.637504 0.0165 BFGS: 6225 16:43:04 -161.637719 0.0152 BFGS: 6226 16:43:04 -161.642922 0.0721 BFGS: 6227 16:43:04 -161.637870 0.0143 BFGS: 6228 16:43:05 -161.637979 0.0137 BFGS: 6229 16:43:05 -161.641592 0.0813 BFGS: 6230 16:43:06 -161.638086 0.0130 BFGS: 6231 16:43:06 -161.638168 0.0124 BFGS: 6232 16:43:06 -161.640382 0.0882 BFGS: 6233 16:43:07 -161.638248 0.0119 BFGS: 6234 16:43:07 -161.643565 0.0650 BFGS: 6235 16:43:08 -161.638258 0.0118 BFGS: 6236 16:43:08 -161.638267 0.0118 BFGS: 6237 16:43:08 -161.639687 0.0922 BFGS: 6238 16:43:09 -161.643432 0.0670 BFGS: 6239 16:43:09 -161.637599 0.0161 BFGS: 6240 16:43:10 -161.637774 0.0150 BFGS: 6241 16:43:10 -161.642680 0.0742 BFGS: 6242 16:43:10 -161.637915 0.0141 BFGS: 6243 16:43:11 -161.638017 0.0134 BFGS: 6244 16:43:11 -161.641390 0.0826 BFGS: 6245 16:43:11 -161.638119 0.0128 BFGS: 6246 16:43:12 -161.638196 0.0122 BFGS: 6247 16:43:12 -161.640206 0.0892 BFGS: 6248 16:43:13 -161.643778 0.0561 BFGS: 6249 16:43:14 -161.637508 0.0165 BFGS: 6250 16:43:14 -161.637721 0.0152 BFGS: 6251 16:43:14 -161.642930 0.0721 BFGS: 6252 16:43:15 -161.637871 0.0143 BFGS: 6253 16:43:15 -161.637979 0.0137 BFGS: 6254 16:43:15 -161.641606 0.0812 BFGS: 6255 16:43:16 -161.638087 0.0130 BFGS: 6256 16:43:17 -161.638168 0.0124 BFGS: 6257 16:43:17 -161.640402 0.0881 BFGS: 6258 16:43:17 -161.638248 0.0119 BFGS: 6259 16:43:18 -161.643568 0.0650 BFGS: 6260 16:43:18 -161.638258 0.0118 BFGS: 6261 16:43:18 -161.638266 0.0118 BFGS: 6262 16:43:19 -161.639690 0.0922 BFGS: 6263 16:43:19 -161.643435 0.0670 BFGS: 6264 16:43:20 -161.637602 0.0161 BFGS: 6265 16:43:20 -161.637777 0.0150 BFGS: 6266 16:43:20 -161.642687 0.0741 BFGS: 6267 16:43:21 -161.637916 0.0141 BFGS: 6268 16:43:21 -161.638018 0.0134 BFGS: 6269 16:43:21 -161.641385 0.0827 BFGS: 6270 16:43:22 -161.638119 0.0128 BFGS: 6271 16:43:22 -161.638197 0.0122 BFGS: 6272 16:43:23 -161.640202 0.0893 BFGS: 6273 16:43:23 -161.643777 0.0565 BFGS: 6274 16:43:23 -161.637513 0.0165 BFGS: 6275 16:43:24 -161.637723 0.0152 BFGS: 6276 16:43:24 -161.642937 0.0720 BFGS: 6277 16:43:24 -161.637873 0.0143 BFGS: 6278 16:43:25 -161.637980 0.0136 BFGS: 6279 16:43:25 -161.641620 0.0811 BFGS: 6280 16:43:25 -161.638087 0.0130 BFGS: 6281 16:43:26 -161.638168 0.0124 BFGS: 6282 16:43:26 -161.640422 0.0880 BFGS: 6283 16:43:26 -161.638248 0.0119 BFGS: 6284 16:43:27 -161.643572 0.0649 BFGS: 6285 16:43:27 -161.638258 0.0118 BFGS: 6286 16:43:27 -161.638266 0.0118 BFGS: 6287 16:43:28 -161.639693 0.0922 BFGS: 6288 16:43:28 -161.643438 0.0670 BFGS: 6289 16:43:28 -161.637605 0.0161 BFGS: 6290 16:43:29 -161.637778 0.0150 BFGS: 6291 16:43:29 -161.642693 0.0741 BFGS: 6292 16:43:30 -161.637918 0.0141 BFGS: 6293 16:43:30 -161.638019 0.0134 BFGS: 6294 16:43:30 -161.641394 0.0826 BFGS: 6295 16:43:31 -161.638120 0.0128 BFGS: 6296 16:43:31 -161.638197 0.0122 BFGS: 6297 16:43:31 -161.640208 0.0892 BFGS: 6298 16:43:32 -161.643778 0.0564 BFGS: 6299 16:43:32 -161.637516 0.0164 BFGS: 6300 16:43:32 -161.637726 0.0152 BFGS: 6301 16:43:33 -161.642940 0.0720 BFGS: 6302 16:43:33 -161.637874 0.0143 BFGS: 6303 16:43:33 -161.637981 0.0136 BFGS: 6304 16:43:34 -161.641630 0.0811 BFGS: 6305 16:43:34 -161.638088 0.0130 BFGS: 6306 16:43:35 -161.638168 0.0124 BFGS: 6307 16:43:35 -161.640437 0.0879 BFGS: 6308 16:43:35 -161.638248 0.0119 BFGS: 6309 16:43:36 -161.643574 0.0649 BFGS: 6310 16:43:36 -161.638257 0.0118 BFGS: 6311 16:43:36 -161.638266 0.0117 BFGS: 6312 16:43:37 -161.639692 0.0922 BFGS: 6313 16:43:37 -161.643439 0.0670 BFGS: 6314 16:43:37 -161.637608 0.0161 BFGS: 6315 16:43:38 -161.637781 0.0150 BFGS: 6316 16:43:38 -161.642698 0.0741 BFGS: 6317 16:43:39 -161.637919 0.0141 BFGS: 6318 16:43:39 -161.638020 0.0134 BFGS: 6319 16:43:39 -161.641405 0.0826 BFGS: 6320 16:43:39 -161.638120 0.0127 BFGS: 6321 16:43:40 -161.638197 0.0122 BFGS: 6322 16:43:40 -161.640224 0.0892 BFGS: 6323 16:43:41 -161.643778 0.0562 BFGS: 6324 16:43:41 -161.637519 0.0164 BFGS: 6325 16:43:41 -161.637729 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16:43:51 -161.642944 0.0720 BFGS: 6352 16:43:51 -161.637878 0.0143 BFGS: 6353 16:43:51 -161.637984 0.0136 BFGS: 6354 16:43:52 -161.641645 0.0810 BFGS: 6355 16:43:52 -161.638089 0.0129 BFGS: 6356 16:43:52 -161.638169 0.0124 BFGS: 6357 16:43:52 -161.640463 0.0878 BFGS: 6358 16:43:52 -161.638248 0.0119 BFGS: 6359 16:43:52 -161.643576 0.0649 BFGS: 6360 16:43:52 -161.638257 0.0118 BFGS: 6361 16:43:53 -161.638266 0.0117 BFGS: 6362 16:43:53 -161.639720 0.0921 BFGS: 6363 16:43:53 -161.643442 0.0669 BFGS: 6364 16:43:54 -161.637614 0.0161 BFGS: 6365 16:43:54 -161.637785 0.0149 BFGS: 6366 16:43:55 -161.642707 0.0740 BFGS: 6367 16:43:55 -161.637922 0.0140 BFGS: 6368 16:43:55 -161.638022 0.0134 BFGS: 6369 16:43:56 -161.641425 0.0825 BFGS: 6370 16:43:56 -161.638121 0.0127 BFGS: 6371 16:43:56 -161.638197 0.0122 BFGS: 6372 16:43:57 -161.640254 0.0890 BFGS: 6373 16:43:57 -161.643781 0.0555 BFGS: 6374 16:43:57 -161.637525 0.0164 BFGS: 6375 16:43:58 -161.637734 0.0151 BFGS: 6376 16:43:58 -161.642945 0.0720 BFGS: 6377 16:43:59 -161.637880 0.0143 BFGS: 6378 16:43:59 -161.637986 0.0136 BFGS: 6379 16:43:59 -161.641651 0.0810 BFGS: 6380 16:44:00 -161.638090 0.0129 BFGS: 6381 16:44:00 -161.638170 0.0124 BFGS: 6382 16:44:00 -161.640474 0.0877 BFGS: 6383 16:44:01 -161.638248 0.0119 BFGS: 6384 16:44:01 -161.643576 0.0649 BFGS: 6385 16:44:02 -161.638258 0.0118 BFGS: 6386 16:44:02 -161.638266 0.0117 BFGS: 6387 16:44:03 -161.639734 0.0920 BFGS: 6388 16:44:03 -161.643443 0.0669 BFGS: 6389 16:44:03 -161.637616 0.0160 BFGS: 6390 16:44:04 -161.637786 0.0149 BFGS: 6391 16:44:04 -161.642711 0.0740 BFGS: 6392 16:44:05 -161.637923 0.0140 BFGS: 6393 16:44:05 -161.638023 0.0134 BFGS: 6394 16:44:06 -161.641434 0.0824 BFGS: 6395 16:44:06 -161.638122 0.0127 BFGS: 6396 16:44:07 -161.638197 0.0122 BFGS: 6397 16:44:07 -161.640267 0.0890 BFGS: 6398 16:44:08 -161.643782 0.0552 BFGS: 6399 16:44:08 -161.637528 0.0164 BFGS: 6400 16:44:09 -161.637737 0.0151 BFGS: 6401 16:44:09 -161.642945 0.0720 BFGS: 6402 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0.0643 BFGS: 6836 16:46:41 -161.638265 0.0118 BFGS: 6837 16:46:41 -161.643785 0.0526 BFGS: 6838 16:46:42 -161.638266 0.0118 BFGS: 6839 16:46:42 -161.638267 0.0118 BFGS: 6840 16:46:43 -161.640938 0.0897 BFGS: 6841 16:46:43 -161.643526 0.0662 BFGS: 6842 16:46:44 -161.637800 0.0187 BFGS: 6843 16:46:44 -161.637923 0.0168 BFGS: 6844 16:46:45 -161.643116 0.0724 BFGS: 6845 16:46:45 -161.638019 0.0152 BFGS: 6846 16:46:46 -161.638088 0.0140 BFGS: 6847 16:46:46 -161.642270 0.0807 BFGS: 6848 16:46:46 -161.638157 0.0128 BFGS: 6849 16:46:47 -161.638209 0.0119 BFGS: 6850 16:46:47 -161.641410 0.0871 BFGS: 6851 16:46:48 -161.638262 0.0110 BFGS: 6852 16:46:48 -161.643581 0.0659 BFGS: 6853 16:46:49 -161.638269 0.0109 BFGS: 6854 16:46:49 -161.643758 0.0596 BFGS: 6855 16:46:50 -161.643782 0.0551 BFGS: 6856 16:46:50 -161.638215 0.0120 BFGS: 6857 16:46:51 -161.638225 0.0118 BFGS: 6858 16:46:51 -161.641279 0.0878 BFGS: 6859 16:46:52 -161.643744 0.0606 BFGS: 6860 16:46:52 -161.637756 0.0189 BFGS: 6861 16:46:53 -161.637889 0.0169 BFGS: 6862 16:46:53 -161.643282 0.0709 BFGS: 6863 16:46:53 -161.637989 0.0152 BFGS: 6864 16:46:54 -161.638061 0.0140 BFGS: 6865 16:46:54 -161.642403 0.0801 BFGS: 6866 16:46:55 -161.638132 0.0128 BFGS: 6867 16:46:55 -161.638186 0.0118 BFGS: 6868 16:46:56 -161.641512 0.0867 BFGS: 6869 16:46:56 -161.638242 0.0109 BFGS: 6870 16:46:57 -161.643680 0.0639 BFGS: 6871 16:46:57 -161.638250 0.0109 BFGS: 6872 16:46:57 -161.638256 0.0108 BFGS: 6873 16:46:58 -161.639976 0.0915 BFGS: 6874 16:46:58 -161.643500 0.0670 BFGS: 6875 16:46:58 -161.637617 0.0150 BFGS: 6876 16:46:59 -161.637784 0.0140 BFGS: 6877 16:46:59 -161.642960 0.0725 BFGS: 6878 16:47:00 -161.637914 0.0133 BFGS: 6879 16:47:00 -161.638009 0.0128 BFGS: 6880 16:47:00 -161.641956 0.0793 BFGS: 6881 16:47:01 -161.638101 0.0123 BFGS: 6882 16:47:01 -161.638171 0.0119 BFGS: 6883 16:47:01 -161.641034 0.0845 BFGS: 6884 16:47:02 -161.638240 0.0115 BFGS: 6885 16:47:02 -161.643653 0.0636 BFGS: 6886 16:47:03 -161.638249 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0.0673 BFGS: 6938 16:47:26 -161.637626 0.0160 BFGS: 6939 16:47:26 -161.637792 0.0149 BFGS: 6940 16:47:26 -161.642725 0.0741 BFGS: 6941 16:47:27 -161.637925 0.0140 BFGS: 6942 16:47:27 -161.638022 0.0133 BFGS: 6943 16:47:28 -161.641470 0.0824 BFGS: 6944 16:47:28 -161.638119 0.0126 BFGS: 6945 16:47:29 -161.638193 0.0121 BFGS: 6946 16:47:29 -161.640320 0.0889 BFGS: 6947 16:47:29 -161.638266 0.0116 BFGS: 6948 16:47:30 -161.643484 0.0665 BFGS: 6949 16:47:30 -161.643766 0.0583 BFGS: 6950 16:47:31 -161.637869 0.0143 BFGS: 6951 16:47:31 -161.637961 0.0137 BFGS: 6952 16:47:31 -161.641862 0.0798 BFGS: 6953 16:47:32 -161.638066 0.0130 BFGS: 6954 16:47:32 -161.638146 0.0125 BFGS: 6955 16:47:33 -161.640681 0.0868 BFGS: 6956 16:47:33 -161.638225 0.0119 BFGS: 6957 16:47:33 -161.643700 0.0621 BFGS: 6958 16:47:33 -161.638235 0.0118 BFGS: 6959 16:47:33 -161.638243 0.0118 BFGS: 6960 16:47:33 -161.639936 0.0910 BFGS: 6961 16:47:34 -161.643567 0.0652 BFGS: 6962 16:47:34 -161.637600 0.0160 BFGS: 6963 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16:52:44 -161.643435 0.0671 BFGS: 7831 16:52:44 -161.637640 0.0155 BFGS: 7832 16:52:44 -161.637787 0.0145 BFGS: 7833 16:52:45 -161.642738 0.0738 BFGS: 7834 16:52:45 -161.637910 0.0137 BFGS: 7835 16:52:45 -161.638003 0.0132 BFGS: 7836 16:52:46 -161.641525 0.0817 BFGS: 7837 16:52:46 -161.638098 0.0126 BFGS: 7838 16:52:47 -161.638173 0.0121 BFGS: 7839 16:52:47 -161.640381 0.0881 BFGS: 7840 16:52:48 -161.638248 0.0117 BFGS: 7841 16:52:48 -161.643566 0.0652 BFGS: 7842 16:52:49 -161.638258 0.0116 BFGS: 7843 16:52:49 -161.638265 0.0115 BFGS: 7844 16:52:49 -161.639712 0.0918 BFGS: 7845 16:52:50 -161.643436 0.0671 BFGS: 7846 16:52:50 -161.637640 0.0155 BFGS: 7847 16:52:50 -161.637786 0.0145 BFGS: 7848 16:52:51 -161.642739 0.0738 BFGS: 7849 16:52:51 -161.637909 0.0137 BFGS: 7850 16:52:52 -161.638003 0.0132 BFGS: 7851 16:52:53 -161.641527 0.0817 BFGS: 7852 16:52:53 -161.638098 0.0126 BFGS: 7853 16:52:53 -161.638172 0.0121 BFGS: 7854 16:52:53 -161.640383 0.0881 BFGS: 7855 16:52:54 -161.638248 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16:53:58 -161.640407 0.0880 BFGS: 8035 16:53:58 -161.638245 0.0117 BFGS: 8036 16:53:59 -161.643583 0.0649 BFGS: 8037 16:53:59 -161.638254 0.0116 BFGS: 8038 16:54:00 -161.638262 0.0115 BFGS: 8039 16:54:00 -161.639737 0.0916 BFGS: 8040 16:54:00 -161.643452 0.0669 BFGS: 8041 16:54:00 -161.637639 0.0154 BFGS: 8042 16:54:01 -161.637784 0.0145 BFGS: 8043 16:54:01 -161.642758 0.0736 BFGS: 8044 16:54:01 -161.637906 0.0137 BFGS: 8045 16:54:02 -161.638000 0.0132 BFGS: 8046 16:54:02 -161.641551 0.0815 BFGS: 8047 16:54:02 -161.638094 0.0126 BFGS: 8048 16:54:03 -161.638169 0.0121 BFGS: 8049 16:54:03 -161.640409 0.0879 BFGS: 8050 16:54:03 -161.638245 0.0117 BFGS: 8051 16:54:04 -161.643584 0.0649 BFGS: 8052 16:54:04 -161.638254 0.0116 BFGS: 8053 16:54:04 -161.638262 0.0115 BFGS: 8054 16:54:04 -161.639739 0.0916 BFGS: 8055 16:54:04 -161.643453 0.0669 BFGS: 8056 16:54:04 -161.637639 0.0154 BFGS: 8057 16:54:04 -161.637784 0.0145 BFGS: 8058 16:54:04 -161.642760 0.0736 BFGS: 8059 16:54:05 -161.637906 0.0137 BFGS: 8060 16:54:05 -161.637999 0.0132 BFGS: 8061 16:54:05 -161.641552 0.0815 BFGS: 8062 16:54:05 -161.638094 0.0126 BFGS: 8063 16:54:05 -161.638169 0.0121 BFGS: 8064 16:54:05 -161.640411 0.0879 BFGS: 8065 16:54:05 -161.638244 0.0117 BFGS: 8066 16:54:05 -161.643585 0.0649 BFGS: 8067 16:54:05 -161.638254 0.0116 BFGS: 8068 16:54:05 -161.638262 0.0115 BFGS: 8069 16:54:05 -161.639740 0.0916 BFGS: 8070 16:54:05 -161.643454 0.0669 BFGS: 8071 16:54:05 -161.637639 0.0154 BFGS: 8072 16:54:06 -161.637784 0.0145 BFGS: 8073 16:54:06 -161.642761 0.0736 BFGS: 8074 16:54:06 -161.637906 0.0137 BFGS: 8075 16:54:06 -161.637999 0.0132 BFGS: 8076 16:54:07 -161.641554 0.0815 BFGS: 8077 16:54:07 -161.638094 0.0126 BFGS: 8078 16:54:08 -161.638168 0.0121 BFGS: 8079 16:54:08 -161.640413 0.0879 BFGS: 8080 16:54:08 -161.638244 0.0117 BFGS: 8081 16:54:08 -161.643586 0.0648 BFGS: 8082 16:54:09 -161.638254 0.0116 BFGS: 8083 16:54:09 -161.638262 0.0115 BFGS: 8084 16:54:09 -161.639742 0.0916 BFGS: 8085 16:54:09 -161.643455 0.0669 BFGS: 8086 16:54:10 -161.637639 0.0154 BFGS: 8087 16:54:10 -161.637784 0.0145 BFGS: 8088 16:54:10 -161.642763 0.0736 BFGS: 8089 16:54:10 -161.637906 0.0137 BFGS: 8090 16:54:10 -161.637999 0.0132 BFGS: 8091 16:54:11 -161.641556 0.0815 BFGS: 8092 16:54:11 -161.638093 0.0126 BFGS: 8093 16:54:11 -161.638168 0.0121 BFGS: 8094 16:54:12 -161.640414 0.0879 BFGS: 8095 16:54:12 -161.638244 0.0117 BFGS: 8096 16:54:13 -161.643587 0.0648 BFGS: 8097 16:54:13 -161.638253 0.0116 BFGS: 8098 16:54:13 -161.638261 0.0115 BFGS: 8099 16:54:14 -161.639744 0.0916 BFGS: 8100 16:54:14 -161.643457 0.0669 BFGS: 8101 16:54:14 -161.637638 0.0154 BFGS: 8102 16:54:15 -161.637784 0.0145 BFGS: 8103 16:54:15 -161.642764 0.0736 BFGS: 8104 16:54:15 -161.637905 0.0137 BFGS: 8105 16:54:15 -161.637999 0.0132 BFGS: 8106 16:54:16 -161.641558 0.0815 BFGS: 8107 16:54:16 -161.638093 0.0126 BFGS: 8108 16:54:16 -161.638168 0.0121 BFGS: 8109 16:54:17 -161.640416 0.0879 BFGS: 8110 16:54:17 -161.638244 0.0117 BFGS: 8111 16:54:18 -161.643589 0.0648 BFGS: 8112 16:54:18 -161.638253 0.0116 BFGS: 8113 16:54:18 -161.638261 0.0116 BFGS: 8114 16:54:19 -161.639746 0.0916 BFGS: 8115 16:54:19 -161.643458 0.0668 BFGS: 8116 16:54:19 -161.637638 0.0154 BFGS: 8117 16:54:20 -161.637783 0.0145 BFGS: 8118 16:54:20 -161.642765 0.0736 BFGS: 8119 16:54:21 -161.637905 0.0137 BFGS: 8120 16:54:21 -161.637998 0.0132 BFGS: 8121 16:54:21 -161.641559 0.0815 BFGS: 8122 16:54:21 -161.638093 0.0126 BFGS: 8123 16:54:22 -161.638168 0.0121 BFGS: 8124 16:54:22 -161.640418 0.0879 BFGS: 8125 16:54:23 -161.638244 0.0117 BFGS: 8126 16:54:23 -161.643590 0.0648 BFGS: 8127 16:54:24 -161.638253 0.0116 BFGS: 8128 16:54:24 -161.638261 0.0116 BFGS: 8129 16:54:24 -161.639748 0.0916 BFGS: 8130 16:54:25 -161.643459 0.0668 BFGS: 8131 16:54:25 -161.637638 0.0154 BFGS: 8132 16:54:26 -161.637783 0.0145 BFGS: 8133 16:54:26 -161.642767 0.0735 BFGS: 8134 16:54:26 -161.637905 0.0137 BFGS: 8135 16:54:27 -161.637998 0.0132 BFGS: 8136 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16:55:43 -161.643473 0.0666 BFGS: 8341 16:55:43 -161.637637 0.0153 BFGS: 8342 16:55:44 -161.637781 0.0144 BFGS: 8343 16:55:44 -161.642785 0.0734 BFGS: 8344 16:55:45 -161.637902 0.0137 BFGS: 8345 16:55:45 -161.637995 0.0131 BFGS: 8346 16:55:45 -161.641584 0.0813 BFGS: 8347 16:55:46 -161.638089 0.0126 BFGS: 8348 16:55:46 -161.638164 0.0121 BFGS: 8349 16:55:46 -161.640444 0.0877 BFGS: 8350 16:55:47 -161.638240 0.0117 BFGS: 8351 16:55:47 -161.643606 0.0645 BFGS: 8352 16:55:48 -161.638250 0.0116 BFGS: 8353 16:55:48 -161.638258 0.0116 BFGS: 8354 16:55:49 -161.639773 0.0914 BFGS: 8355 16:55:49 -161.643474 0.0666 BFGS: 8356 16:55:49 -161.637637 0.0153 BFGS: 8357 16:55:50 -161.637781 0.0144 BFGS: 8358 16:55:51 -161.642786 0.0734 BFGS: 8359 16:55:51 -161.637902 0.0137 BFGS: 8360 16:55:52 -161.637995 0.0131 BFGS: 8361 16:55:52 -161.641585 0.0813 BFGS: 8362 16:55:52 -161.638089 0.0126 BFGS: 8363 16:55:53 -161.638164 0.0121 BFGS: 8364 16:55:53 -161.640446 0.0877 BFGS: 8365 16:55:54 -161.638240 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16:56:08 -161.641588 0.0813 BFGS: 8392 16:56:09 -161.638088 0.0126 BFGS: 8393 16:56:09 -161.638163 0.0121 BFGS: 8394 16:56:10 -161.640449 0.0877 BFGS: 8395 16:56:10 -161.638240 0.0117 BFGS: 8396 16:56:10 -161.643609 0.0644 BFGS: 8397 16:56:11 -161.638249 0.0116 BFGS: 8398 16:56:11 -161.638257 0.0116 BFGS: 8399 16:56:11 -161.639777 0.0914 BFGS: 8400 16:56:11 -161.643477 0.0666 BFGS: 8401 16:56:12 -161.637637 0.0153 BFGS: 8402 16:56:12 -161.637781 0.0144 BFGS: 8403 16:56:13 -161.642790 0.0734 BFGS: 8404 16:56:13 -161.637901 0.0137 BFGS: 8405 16:56:14 -161.637994 0.0131 BFGS: 8406 16:56:15 -161.641589 0.0813 BFGS: 8407 16:56:15 -161.638088 0.0126 BFGS: 8408 16:56:15 -161.638163 0.0121 BFGS: 8409 16:56:16 -161.640451 0.0877 BFGS: 8410 16:56:16 -161.638239 0.0117 BFGS: 8411 16:56:17 -161.643610 0.0644 BFGS: 8412 16:56:17 -161.638249 0.0116 BFGS: 8413 16:56:18 -161.638257 0.0116 BFGS: 8414 16:56:18 -161.639779 0.0914 BFGS: 8415 16:56:19 -161.643478 0.0666 BFGS: 8416 16:56:19 -161.637637 0.0153 BFGS: 8417 16:56:19 -161.637780 0.0144 BFGS: 8418 16:56:20 -161.642791 0.0733 BFGS: 8419 16:56:20 -161.637901 0.0137 BFGS: 8420 16:56:21 -161.637994 0.0131 BFGS: 8421 16:56:21 -161.641591 0.0813 BFGS: 8422 16:56:21 -161.638088 0.0126 BFGS: 8423 16:56:22 -161.638163 0.0121 BFGS: 8424 16:56:23 -161.640453 0.0876 BFGS: 8425 16:56:23 -161.638239 0.0117 BFGS: 8426 16:56:23 -161.643611 0.0644 BFGS: 8427 16:56:23 -161.638249 0.0116 BFGS: 8428 16:56:24 -161.638257 0.0116 BFGS: 8429 16:56:24 -161.639780 0.0913 BFGS: 8430 16:56:25 -161.643479 0.0666 BFGS: 8431 16:56:25 -161.637637 0.0153 BFGS: 8432 16:56:26 -161.637780 0.0144 BFGS: 8433 16:56:26 -161.642792 0.0733 BFGS: 8434 16:56:27 -161.637901 0.0137 BFGS: 8435 16:56:27 -161.637994 0.0131 BFGS: 8436 16:56:27 -161.641592 0.0812 BFGS: 8437 16:56:28 -161.638088 0.0126 BFGS: 8438 16:56:28 -161.638163 0.0121 BFGS: 8439 16:56:28 -161.640454 0.0876 BFGS: 8440 16:56:29 -161.638239 0.0117 BFGS: 8441 16:56:29 -161.643612 0.0644 BFGS: 8442 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0.0126 BFGS: 8468 16:56:37 -161.638162 0.0121 BFGS: 8469 16:56:37 -161.640457 0.0876 BFGS: 8470 16:56:37 -161.638239 0.0117 BFGS: 8471 16:56:37 -161.643614 0.0643 BFGS: 8472 16:56:38 -161.638248 0.0116 BFGS: 8473 16:56:38 -161.638256 0.0116 BFGS: 8474 16:56:38 -161.639785 0.0913 BFGS: 8475 16:56:39 -161.643482 0.0665 BFGS: 8476 16:56:39 -161.637637 0.0153 BFGS: 8477 16:56:39 -161.637780 0.0144 BFGS: 8478 16:56:40 -161.642796 0.0733 BFGS: 8479 16:56:40 -161.637900 0.0137 BFGS: 8480 16:56:40 -161.637993 0.0131 BFGS: 8481 16:56:40 -161.641597 0.0812 BFGS: 8482 16:56:41 -161.638087 0.0126 BFGS: 8483 16:56:41 -161.638162 0.0121 BFGS: 8484 16:56:41 -161.640459 0.0876 BFGS: 8485 16:56:42 -161.638239 0.0117 BFGS: 8486 16:56:42 -161.643615 0.0643 BFGS: 8487 16:56:42 -161.638248 0.0116 BFGS: 8488 16:56:43 -161.638256 0.0116 BFGS: 8489 16:56:43 -161.639786 0.0913 BFGS: 8490 16:56:44 -161.643482 0.0665 BFGS: 8491 16:56:44 -161.637637 0.0153 BFGS: 8492 16:56:45 -161.637780 0.0144 BFGS: 8493 16:56:45 -161.642797 0.0733 BFGS: 8494 16:56:45 -161.637900 0.0137 BFGS: 8495 16:56:45 -161.637993 0.0131 BFGS: 8496 16:56:45 -161.641598 0.0812 BFGS: 8497 16:56:45 -161.638087 0.0126 BFGS: 8498 16:56:46 -161.638162 0.0121 BFGS: 8499 16:56:46 -161.640460 0.0876 BFGS: 8500 16:56:46 -161.638238 0.0117 BFGS: 8501 16:56:46 -161.643616 0.0643 BFGS: 8502 16:56:46 -161.638248 0.0116 BFGS: 8503 16:56:46 -161.638256 0.0116 BFGS: 8504 16:56:46 -161.639788 0.0913 BFGS: 8505 16:56:46 -161.643483 0.0665 BFGS: 8506 16:56:46 -161.637637 0.0153 BFGS: 8507 16:56:46 -161.637780 0.0144 BFGS: 8508 16:56:46 -161.642798 0.0733 BFGS: 8509 16:56:47 -161.637900 0.0137 BFGS: 8510 16:56:47 -161.637993 0.0131 BFGS: 8511 16:56:47 -161.641599 0.0812 BFGS: 8512 16:56:48 -161.638087 0.0126 BFGS: 8513 16:56:48 -161.638162 0.0121 BFGS: 8514 16:56:48 -161.640462 0.0876 BFGS: 8515 16:56:49 -161.638238 0.0117 BFGS: 8516 16:56:49 -161.643616 0.0643 BFGS: 8517 16:56:49 -161.638248 0.0116 BFGS: 8518 16:56:50 -161.638256 0.0116 BFGS: 8519 16:56:50 -161.639789 0.0913 BFGS: 8520 16:56:51 -161.643484 0.0665 BFGS: 8521 16:56:51 -161.637637 0.0153 BFGS: 8522 16:56:51 -161.637779 0.0144 BFGS: 8523 16:56:51 -161.642799 0.0733 BFGS: 8524 16:56:52 -161.637900 0.0137 BFGS: 8525 16:56:52 -161.637992 0.0131 BFGS: 8526 16:56:52 -161.641601 0.0812 BFGS: 8527 16:56:52 -161.638086 0.0126 BFGS: 8528 16:56:52 -161.638162 0.0121 BFGS: 8529 16:56:52 -161.640463 0.0876 BFGS: 8530 16:56:53 -161.638238 0.0117 BFGS: 8531 16:56:53 -161.643617 0.0642 BFGS: 8532 16:56:53 -161.638248 0.0116 BFGS: 8533 16:56:54 -161.638256 0.0116 BFGS: 8534 16:56:54 -161.639791 0.0913 BFGS: 8535 16:56:54 -161.643485 0.0665 BFGS: 8536 16:56:55 -161.637637 0.0153 BFGS: 8537 16:56:55 -161.637779 0.0144 BFGS: 8538 16:56:56 -161.642800 0.0733 BFGS: 8539 16:56:56 -161.637900 0.0137 BFGS: 8540 16:56:56 -161.637992 0.0131 BFGS: 8541 16:56:57 -161.641602 0.0812 BFGS: 8542 16:56:57 -161.638086 0.0126 BFGS: 8543 16:56:58 -161.638161 0.0121 BFGS: 8544 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0.0137 BFGS: 8570 16:57:08 -161.637992 0.0131 BFGS: 8571 16:57:08 -161.641605 0.0811 BFGS: 8572 16:57:08 -161.638086 0.0126 BFGS: 8573 16:57:09 -161.638161 0.0121 BFGS: 8574 16:57:09 -161.640468 0.0875 BFGS: 8575 16:57:10 -161.638237 0.0117 BFGS: 8576 16:57:10 -161.643620 0.0642 BFGS: 8577 16:57:10 -161.638247 0.0116 BFGS: 8578 16:57:11 -161.638255 0.0116 BFGS: 8579 16:57:11 -161.639795 0.0912 BFGS: 8580 16:57:12 -161.643488 0.0664 BFGS: 8581 16:57:12 -161.637637 0.0153 BFGS: 8582 16:57:13 -161.637779 0.0144 BFGS: 8583 16:57:13 -161.642803 0.0732 BFGS: 8584 16:57:13 -161.637899 0.0137 BFGS: 8585 16:57:14 -161.637992 0.0131 BFGS: 8586 16:57:14 -161.641606 0.0811 BFGS: 8587 16:57:14 -161.638086 0.0126 BFGS: 8588 16:57:15 -161.638161 0.0121 BFGS: 8589 16:57:15 -161.640469 0.0875 BFGS: 8590 16:57:16 -161.638237 0.0117 BFGS: 8591 16:57:16 -161.643621 0.0642 BFGS: 8592 16:57:16 -161.638247 0.0116 BFGS: 8593 16:57:17 -161.638255 0.0116 BFGS: 8594 16:57:17 -161.639796 0.0912 BFGS: 8595 16:57:18 -161.643488 0.0664 BFGS: 8596 16:57:18 -161.637637 0.0153 BFGS: 8597 16:57:18 -161.637779 0.0144 BFGS: 8598 16:57:19 -161.642804 0.0732 BFGS: 8599 16:57:19 -161.637899 0.0137 BFGS: 8600 16:57:19 -161.637991 0.0131 BFGS: 8601 16:57:20 -161.641608 0.0811 BFGS: 8602 16:57:20 -161.638085 0.0126 BFGS: 8603 16:57:20 -161.638161 0.0121 BFGS: 8604 16:57:21 -161.640471 0.0875 BFGS: 8605 16:57:21 -161.638237 0.0117 BFGS: 8606 16:57:21 -161.643622 0.0642 BFGS: 8607 16:57:22 -161.638247 0.0116 BFGS: 8608 16:57:22 -161.638255 0.0116 BFGS: 8609 16:57:22 -161.639797 0.0912 BFGS: 8610 16:57:23 -161.643489 0.0664 BFGS: 8611 16:57:23 -161.637637 0.0153 BFGS: 8612 16:57:24 -161.637779 0.0144 BFGS: 8613 16:57:24 -161.642805 0.0732 BFGS: 8614 16:57:24 -161.637899 0.0137 BFGS: 8615 16:57:24 -161.637991 0.0131 BFGS: 8616 16:57:25 -161.641609 0.0811 BFGS: 8617 16:57:25 -161.638085 0.0126 BFGS: 8618 16:57:26 -161.638160 0.0121 BFGS: 8619 16:57:26 -161.640472 0.0875 BFGS: 8620 16:57:26 -161.638237 0.0117 BFGS: 8621 16:57:26 -161.643622 0.0641 BFGS: 8622 16:57:27 -161.638247 0.0116 BFGS: 8623 16:57:27 -161.638255 0.0116 BFGS: 8624 16:57:28 -161.639799 0.0912 BFGS: 8625 16:57:28 -161.643490 0.0664 BFGS: 8626 16:57:28 -161.637637 0.0153 BFGS: 8627 16:57:28 -161.637779 0.0144 BFGS: 8628 16:57:29 -161.642806 0.0732 BFGS: 8629 16:57:29 -161.637899 0.0137 BFGS: 8630 16:57:29 -161.637991 0.0131 BFGS: 8631 16:57:29 -161.641610 0.0811 BFGS: 8632 16:57:29 -161.638085 0.0126 BFGS: 8633 16:57:29 -161.638160 0.0121 BFGS: 8634 16:57:29 -161.640473 0.0875 BFGS: 8635 16:57:29 -161.638237 0.0117 BFGS: 8636 16:57:29 -161.643623 0.0641 BFGS: 8637 16:57:29 -161.638246 0.0116 BFGS: 8638 16:57:29 -161.638255 0.0116 BFGS: 8639 16:57:30 -161.639800 0.0912 BFGS: 8640 16:57:30 -161.643491 0.0664 BFGS: 8641 16:57:30 -161.637637 0.0153 BFGS: 8642 16:57:30 -161.637778 0.0144 BFGS: 8643 16:57:30 -161.642807 0.0732 BFGS: 8644 16:57:30 -161.637898 0.0137 BFGS: 8645 16:57:30 -161.637991 0.0131 BFGS: 8646 16:57:31 -161.641611 0.0811 BFGS: 8647 16:57:31 -161.638085 0.0126 BFGS: 8648 16:57:31 -161.638160 0.0121 BFGS: 8649 16:57:32 -161.640475 0.0875 BFGS: 8650 16:57:32 -161.638237 0.0117 BFGS: 8651 16:57:32 -161.643624 0.0641 BFGS: 8652 16:57:33 -161.638246 0.0116 BFGS: 8653 16:57:33 -161.638254 0.0116 BFGS: 8654 16:57:33 -161.639801 0.0912 BFGS: 8655 16:57:34 -161.643491 0.0664 BFGS: 8656 16:57:34 -161.637636 0.0153 BFGS: 8657 16:57:34 -161.637778 0.0144 BFGS: 8658 16:57:35 -161.642808 0.0732 BFGS: 8659 16:57:35 -161.637898 0.0136 BFGS: 8660 16:57:36 -161.637991 0.0131 BFGS: 8661 16:57:36 -161.641613 0.0811 BFGS: 8662 16:57:36 -161.638085 0.0126 BFGS: 8663 16:57:37 -161.638160 0.0121 BFGS: 8664 16:57:37 -161.640476 0.0875 BFGS: 8665 16:57:37 -161.638236 0.0117 BFGS: 8666 16:57:38 -161.643625 0.0641 BFGS: 8667 16:57:39 -161.638246 0.0116 BFGS: 8668 16:57:39 -161.638254 0.0116 BFGS: 8669 16:57:39 -161.639803 0.0912 BFGS: 8670 16:57:40 -161.643492 0.0664 BFGS: 8671 16:57:40 -161.637636 0.0153 BFGS: 8672 16:57:41 -161.637778 0.0144 BFGS: 8673 16:57:41 -161.642809 0.0732 BFGS: 8674 16:57:42 -161.637898 0.0136 BFGS: 8675 16:57:42 -161.637990 0.0131 BFGS: 8676 16:57:43 -161.641614 0.0811 BFGS: 8677 16:57:44 -161.638084 0.0126 BFGS: 8678 16:57:44 -161.638160 0.0121 BFGS: 8679 16:57:44 -161.640477 0.0875 BFGS: 8680 16:57:45 -161.638236 0.0117 BFGS: 8681 16:57:45 -161.643626 0.0641 BFGS: 8682 16:57:46 -161.638246 0.0116 BFGS: 8683 16:57:46 -161.638254 0.0116 BFGS: 8684 16:57:46 -161.639804 0.0912 BFGS: 8685 16:57:47 -161.643493 0.0664 BFGS: 8686 16:57:47 -161.637636 0.0153 BFGS: 8687 16:57:48 -161.637778 0.0144 BFGS: 8688 16:57:48 -161.642810 0.0732 BFGS: 8689 16:57:48 -161.637898 0.0136 BFGS: 8690 16:57:49 -161.637990 0.0131 BFGS: 8691 16:57:49 -161.641615 0.0811 BFGS: 8692 16:57:50 -161.638084 0.0126 BFGS: 8693 16:57:50 -161.638159 0.0121 BFGS: 8694 16:57:50 -161.640479 0.0874 BFGS: 8695 16:57:51 -161.638236 0.0117 BFGS: 8696 16:57:51 -161.643627 0.0641 BFGS: 8697 16:57:52 -161.638246 0.0116 BFGS: 8698 16:57:52 -161.638254 0.0116 BFGS: 8699 16:57:53 -161.639805 0.0911 BFGS: 8700 16:57:53 -161.643494 0.0664 BFGS: 8701 16:57:53 -161.637636 0.0152 BFGS: 8702 16:57:54 -161.637778 0.0143 BFGS: 8703 16:57:54 -161.642811 0.0732 BFGS: 8704 16:57:54 -161.637898 0.0136 BFGS: 8705 16:57:55 -161.637990 0.0131 BFGS: 8706 16:57:55 -161.641616 0.0811 BFGS: 8707 16:57:55 -161.638084 0.0126 BFGS: 8708 16:57:55 -161.638159 0.0121 BFGS: 8709 16:57:55 -161.640480 0.0874 BFGS: 8710 16:57:55 -161.638236 0.0117 BFGS: 8711 16:57:55 -161.643627 0.0640 BFGS: 8712 16:57:56 -161.638246 0.0116 BFGS: 8713 16:57:56 -161.638254 0.0116 BFGS: 8714 16:57:56 -161.639806 0.0911 BFGS: 8715 16:57:57 -161.643494 0.0663 BFGS: 8716 16:57:57 -161.637636 0.0152 BFGS: 8717 16:57:58 -161.637778 0.0143 BFGS: 8718 16:57:58 -161.642812 0.0732 BFGS: 8719 16:57:58 -161.637898 0.0136 BFGS: 8720 16:57:59 -161.637990 0.0131 BFGS: 8721 16:57:59 -161.641618 0.0811 BFGS: 8722 16:57:59 -161.638084 0.0126 BFGS: 8723 16:58:00 -161.638159 0.0121 BFGS: 8724 16:58:00 -161.640481 0.0874 BFGS: 8725 16:58:00 -161.638236 0.0117 BFGS: 8726 16:58:01 -161.643628 0.0640 BFGS: 8727 16:58:01 -161.638246 0.0116 BFGS: 8728 16:58:02 -161.638254 0.0116 BFGS: 8729 16:58:02 -161.639808 0.0911 BFGS: 8730 16:58:02 -161.643495 0.0663 BFGS: 8731 16:58:03 -161.637636 0.0152 BFGS: 8732 16:58:03 -161.637778 0.0143 BFGS: 8733 16:58:04 -161.642813 0.0732 BFGS: 8734 16:58:04 -161.637897 0.0136 BFGS: 8735 16:58:04 -161.637990 0.0131 BFGS: 8736 16:58:05 -161.641619 0.0810 BFGS: 8737 16:58:05 -161.638084 0.0126 BFGS: 8738 16:58:05 -161.638159 0.0121 BFGS: 8739 16:58:06 -161.640483 0.0874 BFGS: 8740 16:58:06 -161.638236 0.0117 BFGS: 8741 16:58:07 -161.643629 0.0640 BFGS: 8742 16:58:07 -161.638245 0.0116 BFGS: 8743 16:58:07 -161.638254 0.0116 BFGS: 8744 16:58:08 -161.639809 0.0911 BFGS: 8745 16:58:08 -161.643496 0.0663 BFGS: 8746 16:58:09 -161.637636 0.0152 BFGS: 8747 16:58:09 -161.637778 0.0143 BFGS: 8748 16:58:10 -161.642814 0.0731 BFGS: 8749 16:58:10 -161.637897 0.0136 BFGS: 8750 16:58:10 -161.637989 0.0131 BFGS: 8751 16:58:11 -161.641620 0.0810 BFGS: 8752 16:58:11 -161.638084 0.0126 BFGS: 8753 16:58:12 -161.638159 0.0121 BFGS: 8754 16:58:12 -161.640484 0.0874 BFGS: 8755 16:58:12 -161.638235 0.0117 BFGS: 8756 16:58:13 -161.643630 0.0640 BFGS: 8757 16:58:13 -161.638245 0.0116 BFGS: 8758 16:58:13 -161.638253 0.0116 BFGS: 8759 16:58:14 -161.639810 0.0911 BFGS: 8760 16:58:14 -161.643497 0.0663 BFGS: 8761 16:58:14 -161.637636 0.0152 BFGS: 8762 16:58:15 -161.637778 0.0143 BFGS: 8763 16:58:15 -161.642815 0.0731 BFGS: 8764 16:58:16 -161.637897 0.0136 BFGS: 8765 16:58:16 -161.637989 0.0131 BFGS: 8766 16:58:16 -161.641621 0.0810 BFGS: 8767 16:58:17 -161.638083 0.0126 BFGS: 8768 16:58:17 -161.638158 0.0121 BFGS: 8769 16:58:18 -161.640485 0.0874 BFGS: 8770 16:58:18 -161.638235 0.0117 BFGS: 8771 16:58:19 -161.643630 0.0640 BFGS: 8772 16:58:19 -161.638245 0.0116 BFGS: 8773 16:58:19 -161.638253 0.0116 BFGS: 8774 16:58:20 -161.639811 0.0911 BFGS: 8775 16:58:20 -161.643497 0.0663 BFGS: 8776 16:58:21 -161.637636 0.0152 BFGS: 8777 16:58:21 -161.637777 0.0143 BFGS: 8778 16:58:22 -161.642816 0.0731 BFGS: 8779 16:58:22 -161.637897 0.0136 BFGS: 8780 16:58:23 -161.637989 0.0131 BFGS: 8781 16:58:23 -161.641622 0.0810 BFGS: 8782 16:58:24 -161.638083 0.0126 BFGS: 8783 16:58:24 -161.638158 0.0121 BFGS: 8784 16:58:25 -161.640486 0.0874 BFGS: 8785 16:58:25 -161.638235 0.0117 BFGS: 8786 16:58:26 -161.643631 0.0640 BFGS: 8787 16:58:26 -161.638245 0.0116 BFGS: 8788 16:58:26 -161.638253 0.0116 BFGS: 8789 16:58:27 -161.639812 0.0911 BFGS: 8790 16:58:28 -161.643498 0.0663 BFGS: 8791 16:58:28 -161.637636 0.0152 BFGS: 8792 16:58:28 -161.637777 0.0143 BFGS: 8793 16:58:29 -161.642817 0.0731 BFGS: 8794 16:58:29 -161.637897 0.0136 BFGS: 8795 16:58:29 -161.637989 0.0131 BFGS: 8796 16:58:30 -161.641623 0.0810 BFGS: 8797 16:58:30 -161.638083 0.0126 BFGS: 8798 16:58:31 -161.638158 0.0121 BFGS: 8799 16:58:31 -161.640488 0.0874 BFGS: 8800 16:58:32 -161.638235 0.0117 BFGS: 8801 16:58:32 -161.643632 0.0639 BFGS: 8802 16:58:33 -161.638245 0.0116 BFGS: 8803 16:58:33 -161.638253 0.0116 BFGS: 8804 16:58:34 -161.639813 0.0911 BFGS: 8805 16:58:34 -161.643499 0.0663 BFGS: 8806 16:58:34 -161.637636 0.0152 BFGS: 8807 16:58:35 -161.637777 0.0143 BFGS: 8808 16:58:35 -161.642818 0.0731 BFGS: 8809 16:58:35 -161.637897 0.0136 BFGS: 8810 16:58:36 -161.637989 0.0131 BFGS: 8811 16:58:36 -161.641625 0.0810 BFGS: 8812 16:58:37 -161.638083 0.0126 BFGS: 8813 16:58:37 -161.638158 0.0121 BFGS: 8814 16:58:38 -161.640489 0.0874 BFGS: 8815 16:58:39 -161.638235 0.0117 BFGS: 8816 16:58:39 -161.643632 0.0639 BFGS: 8817 16:58:39 -161.638245 0.0116 BFGS: 8818 16:58:40 -161.638253 0.0116 BFGS: 8819 16:58:40 -161.639815 0.0911 BFGS: 8820 16:58:41 -161.643499 0.0663 BFGS: 8821 16:58:41 -161.637636 0.0152 BFGS: 8822 16:58:41 -161.637777 0.0143 BFGS: 8823 16:58:42 -161.642819 0.0731 BFGS: 8824 16:58:42 -161.637896 0.0136 BFGS: 8825 16:58:43 -161.637989 0.0131 BFGS: 8826 16:58:43 -161.641626 0.0810 BFGS: 8827 16:58:43 -161.638083 0.0126 BFGS: 8828 16:58:44 -161.638158 0.0121 BFGS: 8829 16:58:44 -161.640490 0.0874 BFGS: 8830 16:58:45 -161.638235 0.0117 BFGS: 8831 16:58:45 -161.643633 0.0639 BFGS: 8832 16:58:45 -161.638244 0.0116 BFGS: 8833 16:58:46 -161.638253 0.0116 BFGS: 8834 16:58:46 -161.639816 0.0911 BFGS: 8835 16:58:47 -161.643500 0.0663 BFGS: 8836 16:58:47 -161.637636 0.0152 BFGS: 8837 16:58:48 -161.637777 0.0143 BFGS: 8838 16:58:48 -161.642820 0.0731 BFGS: 8839 16:58:48 -161.637896 0.0136 BFGS: 8840 16:58:49 -161.637988 0.0131 BFGS: 8841 16:58:50 -161.641627 0.0810 BFGS: 8842 16:58:50 -161.638082 0.0126 BFGS: 8843 16:58:51 -161.638158 0.0121 BFGS: 8844 16:58:51 -161.640491 0.0874 BFGS: 8845 16:58:51 -161.638235 0.0117 BFGS: 8846 16:58:52 -161.643634 0.0639 BFGS: 8847 16:58:52 -161.638244 0.0116 BFGS: 8848 16:58:53 -161.638253 0.0116 BFGS: 8849 16:58:54 -161.639817 0.0910 BFGS: 8850 16:58:54 -161.643501 0.0662 BFGS: 8851 16:58:54 -161.637636 0.0152 BFGS: 8852 16:58:55 -161.637777 0.0143 BFGS: 8853 16:58:55 -161.642820 0.0731 BFGS: 8854 16:58:56 -161.637896 0.0136 BFGS: 8855 16:58:56 -161.637988 0.0131 BFGS: 8856 16:58:57 -161.641628 0.0810 BFGS: 8857 16:58:57 -161.638082 0.0126 BFGS: 8858 16:58:57 -161.638157 0.0121 BFGS: 8859 16:58:57 -161.640492 0.0873 BFGS: 8860 16:58:57 -161.638234 0.0117 BFGS: 8861 16:58:57 -161.643635 0.0639 BFGS: 8862 16:58:57 -161.638244 0.0116 BFGS: 8863 16:58:57 -161.638252 0.0116 BFGS: 8864 16:58:57 -161.639818 0.0910 BFGS: 8865 16:58:58 -161.643501 0.0662 BFGS: 8866 16:58:58 -161.637636 0.0152 BFGS: 8867 16:58:59 -161.637777 0.0143 BFGS: 8868 16:58:59 -161.642821 0.0731 BFGS: 8869 16:59:00 -161.637896 0.0136 BFGS: 8870 16:59:00 -161.637988 0.0131 BFGS: 8871 16:59:01 -161.641629 0.0810 BFGS: 8872 16:59:01 -161.638082 0.0126 BFGS: 8873 16:59:02 -161.638157 0.0121 BFGS: 8874 16:59:02 -161.640494 0.0873 BFGS: 8875 16:59:03 -161.638234 0.0117 BFGS: 8876 16:59:03 -161.643635 0.0639 BFGS: 8877 16:59:03 -161.638244 0.0116 BFGS: 8878 16:59:04 -161.638252 0.0116 BFGS: 8879 16:59:04 -161.639819 0.0910 BFGS: 8880 16:59:04 -161.643502 0.0662 BFGS: 8881 16:59:05 -161.637636 0.0152 BFGS: 8882 16:59:05 -161.637777 0.0143 BFGS: 8883 16:59:06 -161.642822 0.0731 BFGS: 8884 16:59:06 -161.637896 0.0136 BFGS: 8885 16:59:07 -161.637988 0.0131 BFGS: 8886 16:59:07 -161.641630 0.0810 BFGS: 8887 16:59:08 -161.638082 0.0126 BFGS: 8888 16:59:08 -161.638157 0.0121 BFGS: 8889 16:59:09 -161.640495 0.0873 BFGS: 8890 16:59:09 -161.638234 0.0117 BFGS: 8891 16:59:10 -161.643636 0.0638 BFGS: 8892 16:59:10 -161.638244 0.0116 BFGS: 8893 16:59:10 -161.638252 0.0116 BFGS: 8894 16:59:11 -161.639820 0.0910 BFGS: 8895 16:59:11 -161.643502 0.0662 BFGS: 8896 16:59:11 -161.637636 0.0152 BFGS: 8897 16:59:12 -161.637777 0.0143 BFGS: 8898 16:59:12 -161.642823 0.0731 BFGS: 8899 16:59:13 -161.637896 0.0136 BFGS: 8900 16:59:13 -161.637988 0.0131 BFGS: 8901 16:59:13 -161.641631 0.0809 BFGS: 8902 16:59:14 -161.638082 0.0126 BFGS: 8903 16:59:14 -161.638157 0.0121 BFGS: 8904 16:59:15 -161.640496 0.0873 BFGS: 8905 16:59:15 -161.638234 0.0117 BFGS: 8906 16:59:15 -161.643637 0.0638 BFGS: 8907 16:59:15 -161.638244 0.0116 BFGS: 8908 16:59:16 -161.638252 0.0116 BFGS: 8909 16:59:16 -161.639821 0.0910 BFGS: 8910 16:59:17 -161.643503 0.0662 BFGS: 8911 16:59:17 -161.637636 0.0152 BFGS: 8912 16:59:17 -161.637777 0.0143 BFGS: 8913 16:59:18 -161.642824 0.0731 BFGS: 8914 16:59:18 -161.637896 0.0136 BFGS: 8915 16:59:19 -161.637988 0.0131 BFGS: 8916 16:59:19 -161.641632 0.0809 BFGS: 8917 16:59:20 -161.638082 0.0126 BFGS: 8918 16:59:21 -161.638157 0.0121 BFGS: 8919 16:59:21 -161.640497 0.0873 BFGS: 8920 16:59:21 -161.638234 0.0117 BFGS: 8921 16:59:22 -161.643637 0.0638 BFGS: 8922 16:59:22 -161.638244 0.0116 BFGS: 8923 16:59:23 -161.638252 0.0116 BFGS: 8924 16:59:23 -161.639822 0.0910 BFGS: 8925 16:59:24 -161.643504 0.0662 BFGS: 8926 16:59:24 -161.637636 0.0152 BFGS: 8927 16:59:24 -161.637776 0.0143 BFGS: 8928 16:59:25 -161.642825 0.0731 BFGS: 8929 16:59:25 -161.637895 0.0136 BFGS: 8930 16:59:25 -161.637987 0.0131 BFGS: 8931 16:59:26 -161.641633 0.0809 BFGS: 8932 16:59:26 -161.638081 0.0126 BFGS: 8933 16:59:27 -161.638157 0.0121 BFGS: 8934 16:59:27 -161.640498 0.0873 BFGS: 8935 16:59:27 -161.638234 0.0117 BFGS: 8936 16:59:28 -161.643638 0.0638 BFGS: 8937 16:59:28 -161.638244 0.0116 BFGS: 8938 16:59:29 -161.638252 0.0116 BFGS: 8939 16:59:29 -161.639823 0.0910 BFGS: 8940 16:59:30 -161.643504 0.0662 BFGS: 8941 16:59:30 -161.637636 0.0152 BFGS: 8942 16:59:30 -161.637776 0.0143 BFGS: 8943 16:59:31 -161.642825 0.0730 BFGS: 8944 16:59:31 -161.637895 0.0136 BFGS: 8945 16:59:32 -161.637987 0.0131 BFGS: 8946 16:59:32 -161.641634 0.0809 BFGS: 8947 16:59:32 -161.638081 0.0126 BFGS: 8948 16:59:33 -161.638157 0.0121 BFGS: 8949 16:59:33 -161.640499 0.0873 BFGS: 8950 16:59:33 -161.638234 0.0117 BFGS: 8951 16:59:34 -161.643638 0.0638 BFGS: 8952 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0.0150 BFGS: 9692 17:03:45 -161.637773 0.0142 BFGS: 9693 17:03:45 -161.642852 0.0728 BFGS: 9694 17:03:45 -161.637890 0.0135 BFGS: 9695 17:03:45 -161.637982 0.0130 BFGS: 9696 17:03:45 -161.641669 0.0806 BFGS: 9697 17:03:46 -161.638076 0.0125 BFGS: 9698 17:03:46 -161.638151 0.0121 BFGS: 9699 17:03:46 -161.640536 0.0869 BFGS: 9700 17:03:46 -161.638229 0.0117 BFGS: 9701 17:03:47 -161.643658 0.0633 BFGS: 9702 17:03:47 -161.638239 0.0116 BFGS: 9703 17:03:47 -161.638248 0.0116 BFGS: 9704 17:03:48 -161.639856 0.0906 BFGS: 9705 17:03:48 -161.643522 0.0659 BFGS: 9706 17:03:48 -161.637636 0.0150 BFGS: 9707 17:03:48 -161.637773 0.0141 BFGS: 9708 17:03:49 -161.642852 0.0728 BFGS: 9709 17:03:49 -161.637890 0.0135 BFGS: 9710 17:03:49 -161.637982 0.0130 BFGS: 9711 17:03:49 -161.641669 0.0806 BFGS: 9712 17:03:50 -161.638075 0.0125 BFGS: 9713 17:03:50 -161.638151 0.0121 BFGS: 9714 17:03:50 -161.640536 0.0869 BFGS: 9715 17:03:50 -161.638229 0.0117 BFGS: 9716 17:03:51 -161.643658 0.0633 BFGS: 9717 17:03:51 -161.638239 0.0116 BFGS: 9718 17:03:51 -161.638248 0.0116 BFGS: 9719 17:03:52 -161.639857 0.0906 BFGS: 9720 17:03:52 -161.643522 0.0659 BFGS: 9721 17:03:52 -161.637636 0.0150 BFGS: 9722 17:03:53 -161.637773 0.0141 BFGS: 9723 17:03:53 -161.642852 0.0728 BFGS: 9724 17:03:53 -161.637890 0.0135 BFGS: 9725 17:03:53 -161.637981 0.0130 BFGS: 9726 17:03:54 -161.641669 0.0806 BFGS: 9727 17:03:54 -161.638075 0.0125 BFGS: 9728 17:03:54 -161.638151 0.0121 BFGS: 9729 17:03:55 -161.640537 0.0869 BFGS: 9730 17:03:55 -161.638229 0.0117 BFGS: 9731 17:03:55 -161.643659 0.0633 BFGS: 9732 17:03:56 -161.638239 0.0116 BFGS: 9733 17:03:56 -161.638248 0.0116 BFGS: 9734 17:03:57 -161.639857 0.0906 BFGS: 9735 17:03:57 -161.643523 0.0659 BFGS: 9736 17:03:57 -161.637636 0.0150 BFGS: 9737 17:03:57 -161.637773 0.0141 BFGS: 9738 17:03:58 -161.642852 0.0728 BFGS: 9739 17:03:58 -161.637890 0.0135 BFGS: 9740 17:03:58 -161.637981 0.0130 BFGS: 9741 17:03:59 -161.641670 0.0806 BFGS: 9742 17:03:59 -161.638075 0.0125 BFGS: 9743 17:03:59 -161.638151 0.0121 BFGS: 9744 17:04:00 -161.640537 0.0869 BFGS: 9745 17:04:00 -161.638229 0.0117 BFGS: 9746 17:04:00 -161.643659 0.0633 BFGS: 9747 17:04:01 -161.638239 0.0116 BFGS: 9748 17:04:01 -161.638248 0.0116 BFGS: 9749 17:04:01 -161.639857 0.0906 BFGS: 9750 17:04:01 -161.643523 0.0659 BFGS: 9751 17:04:01 -161.637636 0.0150 BFGS: 9752 17:04:02 -161.637773 0.0141 BFGS: 9753 17:04:02 -161.642853 0.0728 BFGS: 9754 17:04:02 -161.637890 0.0135 BFGS: 9755 17:04:03 -161.637981 0.0130 BFGS: 9756 17:04:03 -161.641670 0.0806 BFGS: 9757 17:04:03 -161.638075 0.0125 BFGS: 9758 17:04:03 -161.638151 0.0121 BFGS: 9759 17:04:03 -161.640537 0.0869 BFGS: 9760 17:04:03 -161.638229 0.0117 BFGS: 9761 17:04:03 -161.643659 0.0633 BFGS: 9762 17:04:04 -161.638239 0.0116 BFGS: 9763 17:04:04 -161.638248 0.0116 BFGS: 9764 17:04:04 -161.639858 0.0906 BFGS: 9765 17:04:04 -161.643523 0.0659 BFGS: 9766 17:04:04 -161.637636 0.0149 BFGS: 9767 17:04:04 -161.637773 0.0141 BFGS: 9768 17:04:04 -161.642853 0.0728 BFGS: 9769 17:04:04 -161.637890 0.0135 BFGS: 9770 17:04:04 -161.637981 0.0130 BFGS: 9771 17:04:05 -161.641670 0.0806 BFGS: 9772 17:04:05 -161.638075 0.0125 BFGS: 9773 17:04:05 -161.638151 0.0121 BFGS: 9774 17:04:06 -161.640538 0.0869 BFGS: 9775 17:04:06 -161.638229 0.0117 BFGS: 9776 17:04:06 -161.643659 0.0633 BFGS: 9777 17:04:07 -161.638239 0.0116 BFGS: 9778 17:04:07 -161.638248 0.0116 BFGS: 9779 17:04:07 -161.639858 0.0906 BFGS: 9780 17:04:07 -161.643523 0.0659 BFGS: 9781 17:04:08 -161.637636 0.0149 BFGS: 9782 17:04:08 -161.637773 0.0141 BFGS: 9783 17:04:08 -161.642853 0.0728 BFGS: 9784 17:04:09 -161.637890 0.0135 BFGS: 9785 17:04:09 -161.637981 0.0130 BFGS: 9786 17:04:09 -161.641671 0.0806 BFGS: 9787 17:04:09 -161.638075 0.0125 BFGS: 9788 17:04:10 -161.638151 0.0121 BFGS: 9789 17:04:10 -161.640538 0.0869 BFGS: 9790 17:04:11 -161.638229 0.0117 BFGS: 9791 17:04:11 -161.643659 0.0633 BFGS: 9792 17:04:11 -161.638239 0.0116 BFGS: 9793 17:04:12 -161.638248 0.0116 BFGS: 9794 17:04:12 -161.639858 0.0906 BFGS: 9795 17:04:12 -161.643523 0.0659 BFGS: 9796 17:04:12 -161.637636 0.0149 BFGS: 9797 17:04:13 -161.637773 0.0141 BFGS: 9798 17:04:13 -161.642853 0.0727 BFGS: 9799 17:04:13 -161.637890 0.0135 BFGS: 9800 17:04:14 -161.637981 0.0130 BFGS: 9801 17:04:14 -161.641671 0.0805 BFGS: 9802 17:04:14 -161.638075 0.0125 BFGS: 9803 17:04:15 -161.638151 0.0121 BFGS: 9804 17:04:15 -161.640538 0.0869 BFGS: 9805 17:04:15 -161.638229 0.0117 BFGS: 9806 17:04:16 -161.643659 0.0633 BFGS: 9807 17:04:16 -161.638239 0.0116 BFGS: 9808 17:04:16 -161.638248 0.0116 BFGS: 9809 17:04:16 -161.639858 0.0906 BFGS: 9810 17:04:17 -161.643523 0.0659 BFGS: 9811 17:04:17 -161.637636 0.0149 BFGS: 9812 17:04:17 -161.637773 0.0141 BFGS: 9813 17:04:18 -161.642854 0.0727 BFGS: 9814 17:04:18 -161.637890 0.0135 BFGS: 9815 17:04:18 -161.637981 0.0130 BFGS: 9816 17:04:19 -161.641671 0.0805 BFGS: 9817 17:04:19 -161.638075 0.0125 BFGS: 9818 17:04:19 -161.638151 0.0121 BFGS: 9819 17:04:19 -161.640539 0.0869 BFGS: 9820 17:04:20 -161.638229 0.0117 BFGS: 9821 17:04:20 -161.643659 0.0633 BFGS: 9822 17:04:20 -161.638239 0.0116 BFGS: 9823 17:04:21 -161.638248 0.0116 BFGS: 9824 17:04:21 -161.639859 0.0905 BFGS: 9825 17:04:21 -161.643523 0.0659 BFGS: 9826 17:04:21 -161.637636 0.0149 BFGS: 9827 17:04:22 -161.637773 0.0141 BFGS: 9828 17:04:22 -161.642854 0.0727 BFGS: 9829 17:04:22 -161.637890 0.0135 BFGS: 9830 17:04:23 -161.637981 0.0130 BFGS: 9831 17:04:23 -161.641672 0.0805 BFGS: 9832 17:04:23 -161.638075 0.0125 BFGS: 9833 17:04:24 -161.638151 0.0121 BFGS: 9834 17:04:24 -161.640539 0.0869 BFGS: 9835 17:04:24 -161.638229 0.0117 BFGS: 9836 17:04:24 -161.643660 0.0633 BFGS: 9837 17:04:24 -161.638239 0.0116 BFGS: 9838 17:04:25 -161.638248 0.0116 BFGS: 9839 17:04:25 -161.639859 0.0905 BFGS: 9840 17:04:25 -161.643523 0.0659 BFGS: 9841 17:04:26 -161.637636 0.0149 BFGS: 9842 17:04:26 -161.637773 0.0141 BFGS: 9843 17:04:26 -161.642854 0.0727 BFGS: 9844 17:04:26 -161.637890 0.0135 BFGS: 9845 17:04:27 -161.637981 0.0130 BFGS: 9846 17:04:27 -161.641672 0.0805 BFGS: 9847 17:04:27 -161.638075 0.0125 BFGS: 9848 17:04:28 -161.638151 0.0121 BFGS: 9849 17:04:28 -161.640539 0.0868 BFGS: 9850 17:04:29 -161.638229 0.0117 BFGS: 9851 17:04:29 -161.643660 0.0633 BFGS: 9852 17:04:29 -161.638239 0.0116 BFGS: 9853 17:04:29 -161.638248 0.0116 BFGS: 9854 17:04:30 -161.639859 0.0905 BFGS: 9855 17:04:30 -161.643523 0.0659 BFGS: 9856 17:04:30 -161.637636 0.0149 BFGS: 9857 17:04:31 -161.637773 0.0141 BFGS: 9858 17:04:31 -161.642854 0.0727 BFGS: 9859 17:04:31 -161.637889 0.0135 BFGS: 9860 17:04:31 -161.637981 0.0130 BFGS: 9861 17:04:31 -161.641672 0.0805 BFGS: 9862 17:04:31 -161.638075 0.0125 BFGS: 9863 17:04:31 -161.638151 0.0121 BFGS: 9864 17:04:31 -161.640540 0.0868 BFGS: 9865 17:04:31 -161.638229 0.0117 BFGS: 9866 17:04:32 -161.643660 0.0633 BFGS: 9867 17:04:32 -161.638239 0.0116 BFGS: 9868 17:04:32 -161.638248 0.0116 BFGS: 9869 17:04:32 -161.639859 0.0905 BFGS: 9870 17:04:32 -161.643523 0.0659 BFGS: 9871 17:04:32 -161.637636 0.0149 BFGS: 9872 17:04:32 -161.637772 0.0141 BFGS: 9873 17:04:33 -161.642854 0.0727 BFGS: 9874 17:04:33 -161.637889 0.0135 BFGS: 9875 17:04:33 -161.637981 0.0130 BFGS: 9876 17:04:33 -161.641672 0.0805 BFGS: 9877 17:04:33 -161.638075 0.0125 BFGS: 9878 17:04:33 -161.638151 0.0121 BFGS: 9879 17:04:34 -161.640540 0.0868 BFGS: 9880 17:04:34 -161.638229 0.0117 BFGS: 9881 17:04:34 -161.643660 0.0633 BFGS: 9882 17:04:35 -161.638239 0.0116 BFGS: 9883 17:04:35 -161.638248 0.0116 BFGS: 9884 17:04:35 -161.639859 0.0905 BFGS: 9885 17:04:36 -161.643524 0.0659 BFGS: 9886 17:04:36 -161.637636 0.0149 BFGS: 9887 17:04:36 -161.637772 0.0141 BFGS: 9888 17:04:36 -161.642855 0.0727 BFGS: 9889 17:04:37 -161.637889 0.0135 BFGS: 9890 17:04:37 -161.637981 0.0130 BFGS: 9891 17:04:37 -161.641673 0.0805 BFGS: 9892 17:04:37 -161.638075 0.0125 BFGS: 9893 17:04:38 -161.638151 0.0121 BFGS: 9894 17:04:38 -161.640540 0.0868 BFGS: 9895 17:04:38 -161.638229 0.0117 BFGS: 9896 17:04:39 -161.643660 0.0633 BFGS: 9897 17:04:39 -161.638239 0.0116 BFGS: 9898 17:04:39 -161.638248 0.0116 BFGS: 9899 17:04:40 -161.639860 0.0905 BFGS: 9900 17:04:40 -161.643524 0.0659 BFGS: 9901 17:04:40 -161.637636 0.0149 BFGS: 9902 17:04:40 -161.637772 0.0141 BFGS: 9903 17:04:41 -161.642855 0.0727 BFGS: 9904 17:04:41 -161.637889 0.0135 BFGS: 9905 17:04:41 -161.637981 0.0130 BFGS: 9906 17:04:41 -161.641673 0.0805 BFGS: 9907 17:04:42 -161.638075 0.0125 BFGS: 9908 17:04:42 -161.638151 0.0121 BFGS: 9909 17:04:42 -161.640540 0.0868 BFGS: 9910 17:04:42 -161.638229 0.0117 BFGS: 9911 17:04:43 -161.643660 0.0633 BFGS: 9912 17:04:43 -161.638239 0.0116 BFGS: 9913 17:04:44 -161.638248 0.0116 BFGS: 9914 17:04:44 -161.639860 0.0905 BFGS: 9915 17:04:44 -161.643524 0.0659 BFGS: 9916 17:04:45 -161.637636 0.0149 BFGS: 9917 17:04:45 -161.637772 0.0141 BFGS: 9918 17:04:45 -161.642855 0.0727 BFGS: 9919 17:04:46 -161.637889 0.0135 BFGS: 9920 17:04:46 -161.637981 0.0130 BFGS: 9921 17:04:46 -161.641673 0.0805 BFGS: 9922 17:04:47 -161.638075 0.0125 BFGS: 9923 17:04:47 -161.638150 0.0121 BFGS: 9924 17:04:47 -161.640541 0.0868 BFGS: 9925 17:04:48 -161.638229 0.0117 BFGS: 9926 17:04:48 -161.643660 0.0632 BFGS: 9927 17:04:48 -161.638239 0.0116 BFGS: 9928 17:04:49 -161.638247 0.0116 BFGS: 9929 17:04:49 -161.639860 0.0905 BFGS: 9930 17:04:49 -161.643524 0.0659 BFGS: 9931 17:04:50 -161.637636 0.0149 BFGS: 9932 17:04:50 -161.637772 0.0141 BFGS: 9933 17:04:50 -161.642855 0.0727 BFGS: 9934 17:04:51 -161.637889 0.0135 BFGS: 9935 17:04:51 -161.637981 0.0130 BFGS: 9936 17:04:51 -161.641673 0.0805 BFGS: 9937 17:04:52 -161.638075 0.0125 BFGS: 9938 17:04:52 -161.638150 0.0121 BFGS: 9939 17:04:53 -161.640541 0.0868 BFGS: 9940 17:04:53 -161.638229 0.0117 BFGS: 9941 17:04:53 -161.643660 0.0632 BFGS: 9942 17:04:54 -161.638239 0.0116 BFGS: 9943 17:04:54 -161.638247 0.0116 BFGS: 9944 17:04:54 -161.639860 0.0905 BFGS: 9945 17:04:55 -161.643524 0.0659 BFGS: 9946 17:04:55 -161.637636 0.0149 BFGS: 9947 17:04:55 -161.637772 0.0141 BFGS: 9948 17:04:55 -161.642855 0.0727 BFGS: 9949 17:04:56 -161.637889 0.0135 BFGS: 9950 17:04:56 -161.637981 0.0130 BFGS: 9951 17:04:56 -161.641674 0.0805 BFGS: 9952 17:04:57 -161.638075 0.0125 BFGS: 9953 17:04:57 -161.638150 0.0121 BFGS: 9954 17:04:57 -161.640541 0.0868 BFGS: 9955 17:04:57 -161.638229 0.0117 BFGS: 9956 17:04:58 -161.643660 0.0632 BFGS: 9957 17:04:58 -161.638239 0.0117 BFGS: 9958 17:04:58 -161.638247 0.0116 BFGS: 9959 17:04:58 -161.639860 0.0905 BFGS: 9960 17:04:59 -161.643524 0.0659 BFGS: 9961 17:04:59 -161.637636 0.0149 BFGS: 9962 17:04:59 -161.637772 0.0141 BFGS: 9963 17:04:59 -161.642855 0.0727 BFGS: 9964 17:05:00 -161.637889 0.0135 BFGS: 9965 17:05:00 -161.637980 0.0130 BFGS: 9966 17:05:00 -161.641674 0.0805 BFGS: 9967 17:05:01 -161.638075 0.0125 BFGS: 9968 17:05:01 -161.638150 0.0121 BFGS: 9969 17:05:01 -161.640541 0.0868 BFGS: 9970 17:05:01 -161.638229 0.0117 BFGS: 9971 17:05:02 -161.643660 0.0632 BFGS: 9972 17:05:02 -161.638239 0.0117 BFGS: 9973 17:05:02 -161.638247 0.0116 BFGS: 9974 17:05:03 -161.639860 0.0905 BFGS: 9975 17:05:03 -161.643524 0.0659 BFGS: 9976 17:05:03 -161.637636 0.0149 BFGS: 9977 17:05:04 -161.637772 0.0141 BFGS: 9978 17:05:04 -161.642856 0.0727 BFGS: 9979 17:05:04 -161.637889 0.0135 BFGS: 9980 17:05:04 -161.637980 0.0130 BFGS: 9981 17:05:05 -161.641674 0.0805 BFGS: 9982 17:05:05 -161.638074 0.0125 BFGS: 9983 17:05:05 -161.638150 0.0121 BFGS: 9984 17:05:06 -161.640541 0.0868 BFGS: 9985 17:05:06 -161.638229 0.0117 BFGS: 9986 17:05:06 -161.643661 0.0632 BFGS: 9987 17:05:07 -161.638239 0.0117 BFGS: 9988 17:05:07 -161.638247 0.0116 BFGS: 9989 17:05:07 -161.639860 0.0905 BFGS: 9990 17:05:07 -161.643524 0.0659 BFGS: 9991 17:05:08 -161.637636 0.0149 BFGS: 9992 17:05:08 -161.637772 0.0141 BFGS: 9993 17:05:08 -161.642856 0.0727 BFGS: 9994 17:05:09 -161.637889 0.0135 BFGS: 9995 17:05:09 -161.637980 0.0130 BFGS: 9996 17:05:09 -161.641674 0.0805 BFGS: 9997 17:05:10 -161.638074 0.0125 BFGS: 9998 17:05:10 -161.638150 0.0121 BFGS: 9999 17:05:10 -161.640542 0.0868 BFGS: 10000 17:05:11 -161.638229 0.0117 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.008480704195304637 eV/Angstrom Maximum stress component: 0.00015307059224035102 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'O', 'O', 'O', 'O'] basis = [[2.25159763e-31 3.49169222e-01 7.83947910e-01] [0.00000000e+00 6.50830778e-01 7.83947910e-01] [5.00000000e-01 8.49169222e-01 2.16052090e-01] [5.00000000e-01 1.50830778e-01 2.16052090e-01] [6.80380232e-01 1.57012602e-16 8.80246798e-01] [3.19619768e-01 1.57012602e-16 8.80246798e-01] [8.19619768e-01 5.00000000e-01 1.19753202e-01] [1.80380232e-01 5.00000000e-01 1.19753202e-01] [3.82259230e-30 2.42333363e-01 8.94469148e-01] [0.00000000e+00 7.57666637e-01 8.94469148e-01] [5.00000000e-01 7.42333363e-01 1.05530852e-01] [5.00000000e-01 2.57666637e-01 1.05530852e-01] [8.09236165e-01 1.57012602e-16 9.89720583e-01] [1.90763835e-01 1.57012602e-16 9.89720583e-01] [6.90763835e-01 5.00000000e-01 1.02794174e-02] [3.09236165e-01 5.00000000e-01 1.02794174e-02] [8.13723346e-01 3.97430502e-01 2.39800651e-01] [1.86276654e-01 6.02569498e-01 2.39800651e-01] [6.86276654e-01 8.97430502e-01 7.60199349e-01] [3.13723346e-01 1.02569498e-01 7.60199349e-01] [6.86276654e-01 1.02569498e-01 7.60199349e-01] [3.13723346e-01 8.97430502e-01 7.60199349e-01] [8.13723346e-01 6.02569498e-01 2.39800651e-01] [1.86276654e-01 3.97430502e-01 2.39800651e-01] [8.76893315e-01 3.43130139e-01 6.63882800e-01] [1.23106685e-01 6.56869861e-01 6.63882800e-01] [6.23106685e-01 8.43130139e-01 3.36117200e-01] [3.76893315e-01 1.56869861e-01 3.36117200e-01] [6.23106685e-01 1.56869861e-01 3.36117200e-01] [3.76893315e-01 8.43130139e-01 3.36117200e-01] [8.76893315e-01 6.56869861e-01 6.63882800e-01] [1.23106685e-01 3.43130139e-01 6.63882800e-01] [0.00000000e+00 1.57012602e-16 4.65380693e-01] [5.00000000e-01 5.00000000e-01 5.34619307e-01] [0.00000000e+00 5.00000000e-01 9.51444422e-01] [5.00000000e-01 1.57012602e-16 4.85555778e-02] [0.00000000e+00 1.26621642e-01 3.37753307e-01] [2.79294619e-30 8.73378358e-01 3.37753307e-01] [5.00000000e-01 6.26621642e-01 6.62246693e-01] [5.00000000e-01 3.73378358e-01 6.62246693e-01]] cellpar = Cell([7.1514962053843805, 8.589979200557536, 5.427672374797345]) forces = [[ 0.00000000e+00 -8.16976192e-03 -8.48070420e-03] [ 0.00000000e+00 8.16976192e-03 -8.48070420e-03] [ 0.00000000e+00 -8.16976192e-03 8.48070420e-03] [ 0.00000000e+00 8.16976192e-03 8.48070420e-03] [ 6.43540110e-05 0.00000000e+00 -1.14340272e-04] [-6.43540110e-05 0.00000000e+00 -1.14340272e-04] [-6.43540110e-05 0.00000000e+00 1.14340272e-04] [ 6.43540110e-05 0.00000000e+00 1.14340272e-04] [ 0.00000000e+00 -3.41780843e-04 2.15694294e-04] [ 0.00000000e+00 3.41780843e-04 2.15694294e-04] [ 0.00000000e+00 -3.41780843e-04 -2.15694294e-04] [ 0.00000000e+00 3.41780843e-04 -2.15694294e-04] [ 9.15133917e-06 0.00000000e+00 1.35832820e-05] [-9.15133917e-06 0.00000000e+00 1.35832820e-05] [-9.15133917e-06 0.00000000e+00 -1.35832820e-05] [ 9.15133917e-06 0.00000000e+00 -1.35832820e-05] [ 1.84274457e-06 -1.55912202e-07 3.54936755e-06] [-1.84274457e-06 1.55912202e-07 3.54936755e-06] [-1.84274457e-06 -1.55912202e-07 -3.54936755e-06] [ 1.84274457e-06 1.55912202e-07 -3.54936755e-06] [-1.84274457e-06 1.55912202e-07 -3.54936755e-06] [ 1.84274457e-06 -1.55912202e-07 -3.54936755e-06] [ 1.84274457e-06 1.55912202e-07 3.54936755e-06] [-1.84274457e-06 -1.55912202e-07 3.54936755e-06] [-3.40067726e-04 -3.16146156e-05 -2.16218518e-04] [ 3.40067726e-04 3.16146156e-05 -2.16218518e-04] [ 3.40067726e-04 -3.16146156e-05 2.16218518e-04] [-3.40067726e-04 3.16146156e-05 2.16218518e-04] [ 3.40067726e-04 3.16146156e-05 2.16218518e-04] [-3.40067726e-04 -3.16146156e-05 2.16218518e-04] [-3.40067726e-04 3.16146156e-05 -2.16218518e-04] [ 3.40067726e-04 -3.16146156e-05 -2.16218518e-04] [ 0.00000000e+00 0.00000000e+00 8.15504659e-05] [ 0.00000000e+00 0.00000000e+00 -8.15504659e-05] [ 0.00000000e+00 0.00000000e+00 4.98721657e-03] [ 0.00000000e+00 0.00000000e+00 -4.98721657e-03] [ 0.00000000e+00 4.82552965e-03 6.03577064e-03] [ 0.00000000e+00 -4.82552965e-03 6.03577064e-03] [ 0.00000000e+00 4.82552965e-03 -6.03577064e-03] [ 0.00000000e+00 -4.82552965e-03 -6.03577064e-03]] stress = [-2.04389867e-05 5.07731046e-05 1.53070592e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -4.001206837926968 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0