element(s): ['B', 'H'] AFLOW prototype label: AB3_mP16_14_e_3e Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.5128', '1.1812124', '0.93451357', '137.7253', '0.99965971', '0.53861598', '0.36440251', '0.10224394', '0.60781957', '0.62996639', '0.78778113', '0.62218726', '0.13267261', '0.21223419', '0.50686922', '0.41561983'] model name: Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['B', 'H', 'H', 'H'] representative atom coordinates = [[3.4029000e-04 5.3861598e-01 6.3525720e-01] [8.9775606e-01 6.0781957e-01 4.7227755e-01] [2.1221887e-01 6.2218726e-01 6.5510852e-01] [7.8776581e-01 5.0686922e-01 7.9661436e-01]] spacegroup = 14 cell = [[4.5607, 0, 0], [0, 7.693, 0], [1.6912286814614, 0, 5.8466052746019]] ========================================= Step Time Energy fmax BFGS: 0 16:14:29 -42.055915 7.971602 BFGS: 1 16:14:29 -44.186674 7.052198 BFGS: 2 16:14:29 -46.352981 9.721223 BFGS: 3 16:14:30 -48.908768 10.361689 BFGS: 4 16:14:30 -50.539950 2.332282 BFGS: 5 16:14:30 -51.211548 2.261545 BFGS: 6 16:14:30 -51.656229 1.965710 BFGS: 7 16:14:30 -51.942408 1.597451 BFGS: 8 16:14:30 -52.228376 1.387592 BFGS: 9 16:14:30 -52.483951 1.454134 BFGS: 10 16:14:31 -52.819296 1.356570 BFGS: 11 16:14:31 -52.169548 5.684904 BFGS: 12 16:14:31 -53.296373 0.854686 BFGS: 13 16:14:31 -53.465487 0.476055 BFGS: 14 16:14:31 -53.510012 0.349569 BFGS: 15 16:14:31 -53.512039 0.248824 BFGS: 16 16:14:32 -53.518929 0.722196 BFGS: 17 16:14:32 -53.530175 1.264241 BFGS: 18 16:14:32 -53.576825 3.631625 BFGS: 19 16:14:32 -53.571875 2.892976 BFGS: 20 16:14:32 -53.717772 2.037561 BFGS: 21 16:14:32 -53.804487 0.510743 BFGS: 22 16:14:32 -53.829193 0.403792 BFGS: 23 16:14:33 -53.840361 0.398594 BFGS: 24 16:14:33 -53.845413 0.313644 BFGS: 25 16:14:33 -53.849094 0.099373 BFGS: 26 16:14:33 -53.850548 0.173328 BFGS: 27 16:14:33 -53.851943 0.223821 BFGS: 28 16:14:33 -53.853674 0.167253 BFGS: 29 16:14:34 -53.854412 0.065437 BFGS: 30 16:14:34 -53.854665 0.031135 BFGS: 31 16:14:34 -53.854842 0.044787 BFGS: 32 16:14:34 -53.855199 0.080969 BFGS: 33 16:14:34 -53.855691 0.096071 BFGS: 34 16:14:34 -53.856131 0.066733 BFGS: 35 16:14:35 -53.856337 0.021879 BFGS: 36 16:14:35 -53.856436 0.026895 BFGS: 37 16:14:35 -53.856559 0.043331 BFGS: 38 16:14:35 -53.856766 0.062124 BFGS: 39 16:14:35 -53.857017 0.056968 BFGS: 40 16:14:35 -53.857207 0.031541 BFGS: 41 16:14:36 -53.857329 0.026723 BFGS: 42 16:14:36 -53.857476 0.047796 BFGS: 43 16:14:36 -53.857802 0.086345 BFGS: 44 16:14:36 -53.858561 0.141056 BFGS: 45 16:14:36 -53.860096 0.195758 BFGS: 46 16:14:36 -53.861703 0.207373 BFGS: 47 16:14:37 -53.863311 0.186163 BFGS: 48 16:14:37 -53.864714 0.134850 BFGS: 49 16:14:37 -53.865665 0.053554 BFGS: 50 16:14:37 -53.866011 0.044460 BFGS: 51 16:14:37 -53.866505 0.076521 BFGS: 52 16:14:37 -53.867656 0.151964 BFGS: 53 16:14:38 -53.869638 0.238156 BFGS: 54 16:14:38 -53.873120 0.326328 BFGS: 55 16:14:38 -53.876278 0.360504 BFGS: 56 16:14:38 -53.879565 0.367563 BFGS: 57 16:14:38 -53.882913 0.359878 BFGS: 58 16:14:38 -53.886261 0.343668 BFGS: 59 16:14:38 -53.889524 0.323149 BFGS: 60 16:14:39 -53.892676 0.300560 BFGS: 61 16:14:39 -53.895671 0.278018 BFGS: 62 16:14:39 -53.898519 0.255936 BFGS: 63 16:14:39 -53.901173 0.233608 BFGS: 64 16:14:39 -53.903683 0.212347 BFGS: 65 16:14:39 -53.906032 0.184827 BFGS: 66 16:14:40 -53.907961 0.172596 BFGS: 67 16:14:40 -53.910056 0.129057 BFGS: 68 16:14:40 -53.911316 0.130008 BFGS: 69 16:14:40 -53.912823 0.098653 BFGS: 70 16:14:40 -53.913747 0.066476 BFGS: 71 16:14:40 -53.914416 0.081789 BFGS: 72 16:14:41 -53.914769 0.032698 BFGS: 73 16:14:41 -53.914874 0.022570 BFGS: 74 16:14:41 -53.914939 0.021675 BFGS: 75 16:14:41 -53.915251 0.021940 BFGS: 76 16:14:41 -53.915505 0.029710 BFGS: 77 16:14:42 -53.916005 0.077908 BFGS: 78 16:14:42 -53.916991 0.137432 BFGS: 79 16:14:42 -53.918661 0.211997 BFGS: 80 16:14:42 -53.920344 0.238008 BFGS: 81 16:14:43 -53.922248 0.258411 BFGS: 82 16:14:43 -53.924266 0.263535 BFGS: 83 16:14:43 -53.926372 0.266350 BFGS: 84 16:14:43 -53.928521 0.260875 BFGS: 85 16:14:44 -53.930687 0.253475 BFGS: 86 16:14:44 -53.932920 0.239505 BFGS: 87 16:14:44 -53.935151 0.221877 BFGS: 88 16:14:44 -53.937188 0.202055 BFGS: 89 16:14:45 -53.939174 0.177341 BFGS: 90 16:14:45 -53.941125 0.145157 BFGS: 91 16:14:45 -53.942718 0.115727 BFGS: 92 16:14:46 -53.944233 0.082967 BFGS: 93 16:14:46 -53.945215 0.054438 BFGS: 94 16:14:46 -53.945811 0.063571 BFGS: 95 16:14:47 -53.946012 0.037638 BFGS: 96 16:14:47 -53.946154 0.028045 BFGS: 97 16:14:47 -53.946252 0.024481 BFGS: 98 16:14:47 -53.946295 0.027629 BFGS: 99 16:14:48 -53.946342 0.029942 BFGS: 100 16:14:48 -53.946435 0.036190 BFGS: 101 16:14:48 -53.946650 0.040545 BFGS: 102 16:14:49 -53.947191 0.080490 BFGS: 103 16:14:49 -53.948154 0.091164 BFGS: 104 16:14:49 -53.949269 0.096529 BFGS: 105 16:14:50 -53.950471 0.088881 BFGS: 106 16:14:50 -53.951774 0.089465 BFGS: 107 16:14:50 -53.953145 0.092326 BFGS: 108 16:14:50 -53.954588 0.093281 BFGS: 109 16:14:51 -53.956091 0.092710 BFGS: 110 16:14:51 -53.957661 0.090707 BFGS: 111 16:14:52 -53.959293 0.088587 BFGS: 112 16:14:52 -53.960995 0.110998 BFGS: 113 16:14:52 -53.962679 0.132852 BFGS: 114 16:14:53 -53.964394 0.158886 BFGS: 115 16:14:53 -53.966251 0.164276 BFGS: 116 16:14:53 -53.967973 0.208582 BFGS: 117 16:14:54 -53.969469 0.160362 BFGS: 118 16:14:54 -53.970770 0.234658 BFGS: 119 16:14:54 -53.971924 0.219802 BFGS: 120 16:14:55 -53.973083 0.224767 BFGS: 121 16:14:55 -53.974205 0.210682 BFGS: 122 16:14:55 -53.975185 0.195524 BFGS: 123 16:14:56 -53.976139 0.172805 BFGS: 124 16:14:56 -53.977153 0.148033 BFGS: 125 16:14:56 -53.978215 0.128677 BFGS: 126 16:14:57 -53.979407 0.082521 BFGS: 127 16:14:57 -53.980326 0.110324 BFGS: 128 16:14:57 -53.981560 0.053571 BFGS: 129 16:14:58 -53.982260 0.058298 BFGS: 130 16:14:58 -53.983013 0.053374 BFGS: 131 16:14:58 -53.983465 0.032551 BFGS: 132 16:14:58 -53.983812 0.026697 BFGS: 133 16:14:59 -53.983904 0.029779 BFGS: 134 16:14:59 -53.983957 0.024178 BFGS: 135 16:14:59 -53.984010 0.018025 BFGS: 136 16:15:00 -53.984073 0.019042 BFGS: 137 16:15:00 -53.984176 0.028335 BFGS: 138 16:15:00 -53.984351 0.023593 BFGS: 139 16:15:00 -53.984956 0.025425 BFGS: 140 16:15:01 -53.985993 0.116563 BFGS: 141 16:15:01 -53.986767 0.096714 BFGS: 142 16:15:01 -53.988020 0.119233 BFGS: 143 16:15:01 -53.989328 0.116476 BFGS: 144 16:15:02 -53.990475 0.125289 BFGS: 145 16:15:02 -53.991629 0.115140 BFGS: 146 16:15:02 -53.992572 0.112263 BFGS: 147 16:15:03 -53.993490 0.073167 BFGS: 148 16:15:03 -53.993993 0.078641 BFGS: 149 16:15:03 -53.994352 0.010395 BFGS: 150 16:15:03 -53.994398 0.022981 BFGS: 151 16:15:04 -53.994429 0.009273 BFGS: 152 16:15:04 -53.994453 0.009307 BFGS: 153 16:15:04 -53.994463 0.012894 BFGS: 154 16:15:04 -53.994493 0.021381 BFGS: 155 16:15:05 -53.994527 0.025935 BFGS: 156 16:15:05 -53.994624 0.033187 BFGS: 157 16:15:05 -53.994833 0.042653 BFGS: 158 16:15:06 -53.995318 0.064950 BFGS: 159 16:15:06 -53.996211 0.116291 BFGS: 160 16:15:06 -53.997372 0.186897 BFGS: 161 16:15:06 -53.998671 0.115160 BFGS: 162 16:15:07 -53.999216 0.089769 BFGS: 163 16:15:07 -53.999349 0.069308 BFGS: 164 16:15:07 -53.999532 0.020448 BFGS: 165 16:15:07 -53.999575 0.016095 BFGS: 166 16:15:08 -53.999611 0.006694 BFGS: 167 16:15:08 -53.999621 0.005842 BFGS: 168 16:15:08 -53.999628 0.005848 BFGS: 169 16:15:09 -53.999634 0.005809 BFGS: 170 16:15:09 -53.999644 0.006119 BFGS: 171 16:15:09 -53.999661 0.007783 BFGS: 172 16:15:09 -53.999692 0.008438 BFGS: 173 16:15:10 -53.999751 0.012965 BFGS: 174 16:15:10 -53.999860 0.016072 BFGS: 175 16:15:10 -54.000073 0.022614 BFGS: 176 16:15:11 -54.000366 0.045681 BFGS: 177 16:15:11 -54.000854 0.058232 BFGS: 178 16:15:11 -54.001490 0.065021 BFGS: 179 16:15:11 -54.002468 0.051533 BFGS: 180 16:15:12 -54.003082 0.128247 BFGS: 181 16:15:12 -54.003081 0.085452 BFGS: 182 16:15:12 -54.003707 0.059569 BFGS: 183 16:15:13 -54.003859 0.064919 BFGS: 184 16:15:13 -54.003951 0.033753 BFGS: 185 16:15:13 -54.004031 0.008660 BFGS: 186 16:15:13 -54.004091 0.010498 BFGS: 187 16:15:14 -54.004122 0.006354 BFGS: 188 16:15:14 -54.004132 0.002141 BFGS: 189 16:15:14 -54.004123 0.003874 BFGS: 190 16:15:15 -54.004133 0.001655 BFGS: 191 16:15:15 -54.004134 0.001432 BFGS: 192 16:15:15 -54.004132 0.001788 BFGS: 193 16:15:15 -54.004134 0.001536 BFGS: 194 16:15:16 -54.004134 0.001557 BFGS: 195 16:15:16 -54.004123 0.004074 BFGS: 196 16:15:16 -54.004132 0.002083 BFGS: 197 16:15:17 -54.004105 0.006010 BFGS: 198 16:15:17 -54.004127 0.002100 BFGS: 199 16:15:17 -54.004118 0.005654 BFGS: 200 16:15:17 -54.004135 0.001607 BFGS: 201 16:15:18 -54.004133 0.002176 BFGS: 202 16:15:18 -54.004136 0.001675 BFGS: 203 16:15:18 -54.004136 0.002054 BFGS: 204 16:15:19 -54.004137 0.001662 BFGS: 205 16:15:19 -54.004138 0.001601 BFGS: 206 16:15:19 -54.004206 0.017781 BFGS: 207 16:15:20 -54.004239 0.023185 BFGS: 208 16:15:20 -54.004322 0.032294 BFGS: 209 16:15:20 -54.004412 0.042217 BFGS: 210 16:15:20 -54.004503 0.038894 BFGS: 211 16:15:21 -54.004581 0.022452 BFGS: 212 16:15:21 -54.004600 0.006490 BFGS: 213 16:15:21 -54.004610 0.004776 BFGS: 214 16:15:22 -54.004614 0.006465 BFGS: 215 16:15:22 -54.004617 0.004789 BFGS: 216 16:15:22 -54.004621 0.004129 BFGS: 217 16:15:23 -54.004628 0.004025 BFGS: 218 16:15:23 -54.004645 0.006961 BFGS: 219 16:15:23 -54.004678 0.011789 BFGS: 220 16:15:23 -54.004679 0.014059 BFGS: 221 16:15:24 -54.004709 0.010062 BFGS: 222 16:15:24 -54.004718 0.003644 BFGS: 223 16:15:24 -54.004722 0.000563 BFGS: 224 16:15:25 -54.004724 0.001621 BFGS: 225 16:15:25 -54.004719 0.002173 BFGS: 226 16:15:25 -54.004724 0.000471 BFGS: 227 16:15:25 -54.004725 0.000459 BFGS: 228 16:15:26 -54.004713 0.002593 BFGS: 229 16:15:26 -54.004725 0.000252 BFGS: 230 16:15:26 -54.004725 0.000217 BFGS: 231 16:15:27 -54.004709 0.002189 BFGS: 232 16:15:27 -54.004726 0.000202 BFGS: 233 16:15:27 -54.004724 0.001616 BFGS: 234 16:15:28 -54.004726 0.001581 BFGS: 235 16:15:28 -54.004676 0.002086 BFGS: 236 16:15:28 -54.004709 0.000898 BFGS: 237 16:15:29 -54.004708 0.001863 BFGS: 238 16:15:29 -54.004718 0.000612 BFGS: 239 16:15:29 -54.004722 0.000432 BFGS: 240 16:15:30 -54.004708 0.002019 BFGS: 241 16:15:30 -54.004723 0.000343 BFGS: 242 16:15:30 -54.004724 0.000282 BFGS: 243 16:15:31 -54.004708 0.001924 BFGS: 244 16:15:31 -54.004725 0.000247 BFGS: 245 16:15:31 -54.004725 0.000220 BFGS: 246 16:15:32 -54.004708 0.001888 BFGS: 247 16:15:32 -54.004726 0.000201 BFGS: 248 16:15:32 -54.004724 0.001581 BFGS: 249 16:15:33 -54.004726 0.000195 BFGS: 250 16:15:33 -54.004726 0.001561 BFGS: 251 16:15:33 -54.004726 0.000194 BFGS: 252 16:15:34 -54.004726 0.001559 BFGS: 253 16:15:34 -54.004726 0.000195 BFGS: 254 16:15:34 -54.004726 0.000195 BFGS: 255 16:15:35 -54.004724 0.001592 BFGS: 256 16:15:35 -54.004726 0.001568 BFGS: 257 16:15:35 -54.004718 0.002499 BFGS: 258 16:15:36 -54.004723 0.001529 BFGS: 259 16:15:36 -54.004725 0.001168 BFGS: 260 16:15:36 -54.004725 0.000545 BFGS: 261 16:15:37 -54.004724 0.002017 BFGS: 262 16:15:37 -54.004726 0.002431 BFGS: 263 16:15:37 -54.004721 0.003220 BFGS: 264 16:15:38 -54.004724 0.001367 BFGS: 265 16:15:38 -54.004725 0.000438 BFGS: 266 16:15:38 -54.004725 0.000706 BFGS: 267 16:15:39 -54.004715 0.002584 BFGS: 268 16:15:39 -54.004726 0.000479 BFGS: 269 16:15:39 -54.004725 0.001722 BFGS: 270 16:15:40 -54.004726 0.000218 BFGS: 271 16:15:40 -54.004726 0.000183 BFGS: 272 16:15:40 -54.004725 0.001479 BFGS: 273 16:15:41 -54.004726 0.000199 BFGS: 274 16:15:41 -54.004726 0.000210 BFGS: 275 16:15:41 -54.004720 0.001665 BFGS: 276 16:15:42 -54.004725 0.001534 BFGS: 277 16:15:42 -54.004697 0.008910 BFGS: 278 16:15:42 -54.004716 0.003185 BFGS: 279 16:15:43 -54.004723 0.002320 BFGS: 280 16:15:43 -54.004721 0.001078 BFGS: 281 16:15:43 -54.004723 0.000378 BFGS: 282 16:15:44 -54.004721 0.002376 BFGS: 283 16:15:44 -54.004723 0.000464 BFGS: 284 16:15:44 -54.004724 0.000608 BFGS: 285 16:15:45 -54.004712 0.001896 BFGS: 286 16:15:45 -54.004725 0.000605 BFGS: 287 16:15:45 -54.004725 0.000579 BFGS: 288 16:15:46 -54.004708 0.001808 BFGS: 289 16:15:46 -54.004725 0.000445 BFGS: 290 16:15:46 -54.004725 0.001496 BFGS: 291 16:15:47 -54.004725 0.000348 BFGS: 292 16:15:47 -54.004725 0.000300 BFGS: 293 16:15:47 -54.004720 0.002450 BFGS: 294 16:15:48 -54.004726 0.000201 BFGS: 295 16:15:48 -54.004726 0.001610 BFGS: 296 16:15:48 -54.004726 0.000196 BFGS: 297 16:15:49 -54.004726 0.000194 BFGS: 298 16:15:49 -54.004711 0.002396 BFGS: 299 16:15:49 -54.004725 0.001614 BFGS: 300 16:15:50 -54.004678 0.006081 BFGS: 301 16:15:50 -54.004710 0.002065 BFGS: 302 16:15:50 -54.004712 0.002457 BFGS: 303 16:15:51 -54.004719 0.000933 BFGS: 304 16:15:51 -54.004722 0.000454 BFGS: 305 16:15:51 -54.004711 0.002617 BFGS: 306 16:15:52 -54.004723 0.000340 BFGS: 307 16:15:52 -54.004724 0.000327 BFGS: 308 16:15:52 -54.004709 0.002243 BFGS: 309 16:15:53 -54.004725 0.000290 BFGS: 310 16:15:53 -54.004725 0.000262 BFGS: 311 16:15:53 -54.004708 0.001942 BFGS: 312 16:15:54 -54.004726 0.000212 BFGS: 313 16:15:54 -54.004725 0.001638 BFGS: 314 16:15:54 -54.004726 0.000197 BFGS: 315 16:15:55 -54.004726 0.000188 BFGS: 316 16:15:55 -54.004716 0.001741 BFGS: 317 16:15:55 -54.004725 0.001559 BFGS: 318 16:15:56 -54.004690 0.008864 BFGS: 319 16:15:56 -54.004714 0.003376 BFGS: 320 16:15:56 -54.004718 0.002161 BFGS: 321 16:15:57 -54.004720 0.001316 BFGS: 322 16:15:57 -54.004722 0.000473 BFGS: 323 16:15:57 -54.004718 0.002275 BFGS: 324 16:15:58 -54.004724 0.000377 BFGS: 325 16:15:58 -54.004724 0.000540 BFGS: 326 16:15:58 -54.004713 0.001972 BFGS: 327 16:15:59 -54.004725 0.000605 BFGS: 328 16:15:59 -54.004725 0.000633 BFGS: 329 16:15:59 -54.004709 0.001743 BFGS: 330 16:16:00 -54.004725 0.000552 BFGS: 331 16:16:00 -54.004725 0.001474 BFGS: 332 16:16:00 -54.004725 0.000451 BFGS: 333 16:16:01 -54.004725 0.000393 BFGS: 334 16:16:01 -54.004721 0.002384 BFGS: 335 16:16:01 -54.004726 0.000239 BFGS: 336 16:16:02 -54.004726 0.000185 BFGS: 337 16:16:02 -54.004719 0.002508 BFGS: 338 16:16:02 -54.004725 0.001637 BFGS: 339 16:16:03 -54.004697 0.010449 BFGS: 340 16:16:03 -54.004717 0.004209 BFGS: 341 16:16:03 -54.004723 0.002782 BFGS: 342 16:16:04 -54.004722 0.002100 BFGS: 343 16:16:04 -54.004723 0.001013 BFGS: 344 16:16:04 -54.004723 0.003097 BFGS: 345 16:16:05 -54.004724 0.000454 BFGS: 346 16:16:05 -54.004724 0.000284 BFGS: 347 16:16:05 -54.004719 0.003163 BFGS: 348 16:16:06 -54.004725 0.000381 BFGS: 349 16:16:06 -54.004725 0.000490 BFGS: 350 16:16:06 -54.004713 0.002920 BFGS: 351 16:16:07 -54.004725 0.000523 BFGS: 352 16:16:07 -54.004725 0.000544 BFGS: 353 16:16:07 -54.004709 0.002275 BFGS: 354 16:16:08 -54.004725 0.001835 BFGS: 355 16:16:08 -54.004676 0.003057 BFGS: 356 16:16:08 -54.004709 0.000895 BFGS: 357 16:16:09 -54.004708 0.001981 BFGS: 358 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0.001935 BFGS: 1846 16:24:40 -54.004724 0.001854 BFGS: 1847 16:24:40 -54.004676 0.002236 BFGS: 1848 16:24:40 -54.004709 0.001085 BFGS: 1849 16:24:41 -54.004708 0.001946 BFGS: 1850 16:24:41 -54.004718 0.000824 BFGS: 1851 16:24:41 -54.004722 0.000704 BFGS: 1852 16:24:42 -54.004708 0.001734 BFGS: 1853 16:24:42 -54.004723 0.000567 BFGS: 1854 16:24:42 -54.004724 0.000472 BFGS: 1855 16:24:43 -54.004708 0.001935 BFGS: 1856 16:24:43 -54.004725 0.000376 BFGS: 1857 16:24:43 -54.004725 0.000308 BFGS: 1858 16:24:44 -54.004708 0.002036 BFGS: 1859 16:24:44 -54.004726 0.000250 BFGS: 1860 16:24:44 -54.004724 0.001592 BFGS: 1861 16:24:44 -54.004726 0.000237 BFGS: 1862 16:24:45 -54.004725 0.001578 BFGS: 1863 16:24:45 -54.004726 0.001577 BFGS: 1864 16:24:45 -54.004676 0.002109 BFGS: 1865 16:24:46 -54.004709 0.000888 BFGS: 1866 16:24:46 -54.004708 0.001817 BFGS: 1867 16:24:46 -54.004718 0.000545 BFGS: 1868 16:24:47 -54.004722 0.000452 BFGS: 1869 16:24:47 -54.004708 0.001789 BFGS: 1870 16:24:48 -54.004723 0.000376 BFGS: 1871 16:24:48 -54.004724 0.000325 BFGS: 1872 16:24:48 -54.004708 0.001873 BFGS: 1873 16:24:49 -54.004725 0.000279 BFGS: 1874 16:24:49 -54.004725 0.000245 BFGS: 1875 16:24:49 -54.004708 0.001911 BFGS: 1876 16:24:50 -54.004726 0.000216 BFGS: 1877 16:24:50 -54.004724 0.001584 BFGS: 1878 16:24:50 -54.004726 0.000211 BFGS: 1879 16:24:51 -54.004726 0.001568 BFGS: 1880 16:24:51 -54.004726 0.000209 BFGS: 1881 16:24:51 -54.004726 0.001565 BFGS: 1882 16:24:52 -54.004726 0.000206 BFGS: 1883 16:24:52 -54.004726 0.000204 BFGS: 1884 16:24:52 -54.004725 0.002077 BFGS: 1885 16:24:53 -54.004726 0.001591 BFGS: 1886 16:24:53 -54.004723 0.006489 BFGS: 1887 16:24:53 -54.004725 0.003066 BFGS: 1888 16:24:54 -54.004726 0.002141 BFGS: 1889 16:24:54 -54.004725 0.001658 BFGS: 1890 16:24:54 -54.004725 0.001017 BFGS: 1891 16:24:55 -54.004726 0.000667 BFGS: 1892 16:24:55 -54.004726 0.000724 BFGS: 1893 16:24:55 -54.004722 0.003276 BFGS: 1894 16:24:56 -54.004725 0.001999 BFGS: 1895 16:24:56 -54.004701 0.013497 BFGS: 1896 16:24:56 -54.004717 0.005623 BFGS: 1897 16:24:57 -54.004725 0.005187 BFGS: 1898 16:24:57 -54.004721 0.002071 BFGS: 1899 16:24:58 -54.004723 0.000638 BFGS: 1900 16:24:58 -54.004722 0.005127 BFGS: 1901 16:24:58 -54.004724 0.000486 BFGS: 1902 16:24:59 -54.004724 0.000622 BFGS: 1903 16:24:59 -54.004712 0.004091 BFGS: 1904 16:24:59 -54.004725 0.000599 BFGS: 1905 16:25:00 -54.004725 0.000594 BFGS: 1906 16:25:00 -54.004708 0.002251 BFGS: 1907 16:25:00 -54.004725 0.000431 BFGS: 1908 16:25:01 -54.004726 0.001802 BFGS: 1909 16:25:01 -54.004725 0.000362 BFGS: 1910 16:25:01 -54.004725 0.000314 BFGS: 1911 16:25:02 -54.004720 0.002420 BFGS: 1912 16:25:02 -54.004726 0.000206 BFGS: 1913 16:25:03 -54.004726 0.000327 BFGS: 1914 16:25:03 -54.004716 0.002488 BFGS: 1915 16:25:03 -54.004725 0.001665 BFGS: 1916 16:25:04 -54.004686 0.010654 BFGS: 1917 16:25:04 -54.004713 0.005383 BFGS: 1918 16:25:04 -54.004718 0.003600 BFGS: 1919 16:25:05 -54.004720 0.001973 BFGS: 1920 16:25:05 -54.004722 0.000612 BFGS: 1921 16:25:05 -54.004717 0.003100 BFGS: 1922 16:25:06 -54.004723 0.000472 BFGS: 1923 16:25:06 -54.004724 0.000821 BFGS: 1924 16:25:06 -54.004712 0.002679 BFGS: 1925 16:25:07 -54.004725 0.000906 BFGS: 1926 16:25:07 -54.004725 0.000939 BFGS: 1927 16:25:07 -54.004709 0.002009 BFGS: 1928 16:25:08 -54.004725 0.000788 BFGS: 1929 16:25:08 -54.004725 0.001760 BFGS: 1930 16:25:08 -54.004725 0.000649 BFGS: 1931 16:25:09 -54.004726 0.000551 BFGS: 1932 16:25:09 -54.004721 0.003231 BFGS: 1933 16:25:09 -54.004726 0.000276 BFGS: 1934 16:25:10 -54.004726 0.001614 BFGS: 1935 16:25:10 -54.004726 0.000244 BFGS: 1936 16:25:11 -54.004726 0.000223 BFGS: 1937 16:25:11 -54.004721 0.003243 BFGS: 1938 16:25:11 -54.004726 0.001648 BFGS: 1939 16:25:12 -54.004706 0.014846 BFGS: 1940 16:25:12 -54.004719 0.006957 BFGS: 1941 16:25:12 -54.004724 0.004068 BFGS: 1942 16:25:13 -54.004723 0.003335 BFGS: 1943 16:25:13 -54.004724 0.001676 BFGS: 1944 16:25:13 -54.004725 0.004151 BFGS: 1945 16:25:14 -54.004724 0.000747 BFGS: 1946 16:25:14 -54.004725 0.000289 BFGS: 1947 16:25:14 -54.004723 0.004308 BFGS: 1948 16:25:15 -54.004725 0.000432 BFGS: 1949 16:25:15 -54.004725 0.000543 BFGS: 1950 16:25:16 -54.004717 0.004421 BFGS: 1951 16:25:16 -54.004725 0.000674 BFGS: 1952 16:25:16 -54.004725 0.000780 BFGS: 1953 16:25:17 -54.004710 0.003492 BFGS: 1954 16:25:17 -54.004726 0.000753 BFGS: 1955 16:25:17 -54.004725 0.002182 BFGS: 1956 16:25:18 -54.004726 0.000621 BFGS: 1957 16:25:18 -54.004726 0.000522 BFGS: 1958 16:25:18 -54.004723 0.002155 BFGS: 1959 16:25:19 -54.004725 0.001758 BFGS: 1960 16:25:19 -54.004712 0.012517 BFGS: 1961 16:25:19 -54.004722 0.006158 BFGS: 1962 16:25:20 -54.004724 0.002480 BFGS: 1963 16:25:20 -54.004724 0.002860 BFGS: 1964 16:25:20 -54.004725 0.001389 BFGS: 1965 16:25:21 -54.004725 0.002326 BFGS: 1966 16:25:21 -54.004725 0.002505 BFGS: 1967 16:25:22 -54.004726 0.000987 BFGS: 1968 16:25:22 -54.004726 0.000467 BFGS: 1969 16:25:22 -54.004726 0.000235 BFGS: 1970 16:25:23 -54.004726 0.000394 BFGS: 1971 16:25:23 -54.004725 0.002251 BFGS: 1972 16:25:23 -54.004726 0.001710 BFGS: 1973 16:25:24 -54.004717 0.009297 BFGS: 1974 16:25:24 -54.004723 0.004079 BFGS: 1975 16:25:25 -54.004725 0.001572 BFGS: 1976 16:25:25 -54.004725 0.001666 BFGS: 1977 16:25:25 -54.004710 0.002785 BFGS: 1978 16:25:25 -54.004725 0.001948 BFGS: 1979 16:25:26 -54.004677 0.002087 BFGS: 1980 16:25:26 -54.004709 0.000810 BFGS: 1981 16:25:27 -54.004708 0.002044 BFGS: 1982 16:25:27 -54.004718 0.000558 BFGS: 1983 16:25:27 -54.004722 0.000437 BFGS: 1984 16:25:28 -54.004708 0.001863 BFGS: 1985 16:25:28 -54.004723 0.000361 BFGS: 1986 16:25:28 -54.004724 0.000307 BFGS: 1987 16:25:29 -54.004708 0.001894 BFGS: 1988 16:25:29 -54.004725 0.000265 BFGS: 1989 16:25:29 -54.004725 0.000233 BFGS: 1990 16:25:30 -54.004708 0.001906 BFGS: 1991 16:25:30 -54.004726 0.000207 BFGS: 1992 16:25:30 -54.004724 0.001582 BFGS: 1993 16:25:31 -54.004726 0.001562 BFGS: 1994 16:25:31 -54.004676 0.002657 BFGS: 1995 16:25:31 -54.004709 0.000906 BFGS: 1996 16:25:32 -54.004708 0.001861 BFGS: 1997 16:25:32 -54.004718 0.000568 BFGS: 1998 16:25:32 -54.004722 0.000465 BFGS: 1999 16:25:33 -54.004708 0.001842 BFGS: 2000 16:25:33 -54.004723 0.000370 BFGS: 2001 16:25:33 -54.004724 0.000311 BFGS: 2002 16:25:34 -54.004708 0.001900 BFGS: 2003 16:25:34 -54.004725 0.000266 BFGS: 2004 16:25:35 -54.004725 0.000233 BFGS: 2005 16:25:35 -54.004708 0.001907 BFGS: 2006 16:25:35 -54.004726 0.000208 BFGS: 2007 16:25:36 -54.004724 0.001581 BFGS: 2008 16:25:36 -54.004726 0.000199 BFGS: 2009 16:25:36 -54.004726 0.001561 BFGS: 2010 16:25:37 -54.004726 0.000196 BFGS: 2011 16:25:37 -54.004726 0.000195 BFGS: 2012 16:25:37 -54.004709 0.002172 BFGS: 2013 16:25:38 -54.004724 0.001592 BFGS: 2014 16:25:38 -54.004677 0.001938 BFGS: 2015 16:25:38 -54.004709 0.000829 BFGS: 2016 16:25:39 -54.004708 0.001935 BFGS: 2017 16:25:39 -54.004718 0.000568 BFGS: 2018 16:25:39 -54.004722 0.000444 BFGS: 2019 16:25:40 -54.004708 0.001868 BFGS: 2020 16:25:40 -54.004723 0.000362 BFGS: 2021 16:25:40 -54.004724 0.000307 BFGS: 2022 16:25:41 -54.004708 0.001896 BFGS: 2023 16:25:41 -54.004725 0.000264 BFGS: 2024 16:25:41 -54.004725 0.000232 BFGS: 2025 16:25:42 -54.004708 0.001906 BFGS: 2026 16:25:42 -54.004726 0.000207 BFGS: 2027 16:25:42 -54.004724 0.001582 BFGS: 2028 16:25:43 -54.004726 0.001562 BFGS: 2029 16:25:43 -54.004676 0.002620 BFGS: 2030 16:25:43 -54.004709 0.000932 BFGS: 2031 16:25:44 -54.004708 0.001896 BFGS: 2032 16:25:44 -54.004718 0.000565 BFGS: 2033 16:25:45 -54.004722 0.000467 BFGS: 2034 16:25:45 -54.004708 0.001831 BFGS: 2035 16:25:45 -54.004723 0.000372 BFGS: 2036 16:25:46 -54.004724 0.000313 BFGS: 2037 16:25:46 -54.004708 0.001902 BFGS: 2038 16:25:46 -54.004725 0.000266 BFGS: 2039 16:25:47 -54.004725 0.000233 BFGS: 2040 16:25:47 -54.004708 0.001909 BFGS: 2041 16:25:47 -54.004726 0.000208 BFGS: 2042 16:25:48 -54.004724 0.001581 BFGS: 2043 16:25:48 -54.004726 0.000199 BFGS: 2044 16:25:48 -54.004726 0.001561 BFGS: 2045 16:25:49 -54.004726 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0.001882 BFGS: 2096 16:26:06 -54.004726 0.000205 BFGS: 2097 16:26:06 -54.004724 0.001582 BFGS: 2098 16:26:06 -54.004726 0.001563 BFGS: 2099 16:26:07 -54.004676 0.002568 BFGS: 2100 16:26:07 -54.004709 0.001001 BFGS: 2101 16:26:07 -54.004708 0.001960 BFGS: 2102 16:26:08 -54.004718 0.000550 BFGS: 2103 16:26:08 -54.004722 0.000471 BFGS: 2104 16:26:09 -54.004708 0.001788 BFGS: 2105 16:26:09 -54.004723 0.000381 BFGS: 2106 16:26:09 -54.004724 0.000321 BFGS: 2107 16:26:10 -54.004708 0.001902 BFGS: 2108 16:26:10 -54.004725 0.000270 BFGS: 2109 16:26:10 -54.004725 0.000235 BFGS: 2110 16:26:11 -54.004708 0.001917 BFGS: 2111 16:26:11 -54.004726 0.000208 BFGS: 2112 16:26:11 -54.004724 0.001581 BFGS: 2113 16:26:12 -54.004726 0.000200 BFGS: 2114 16:26:12 -54.004726 0.001563 BFGS: 2115 16:26:13 -54.004726 0.000197 BFGS: 2116 16:26:13 -54.004726 0.000196 BFGS: 2117 16:26:13 -54.004711 0.002573 BFGS: 2118 16:26:14 -54.004724 0.001615 BFGS: 2119 16:26:14 -54.004681 0.004667 BFGS: 2120 16:26:14 -54.004710 0.001689 BFGS: 2121 16:26:15 -54.004709 0.003089 BFGS: 2122 16:26:15 -54.004719 0.000694 BFGS: 2123 16:26:15 -54.004722 0.000494 BFGS: 2124 16:26:16 -54.004709 0.002347 BFGS: 2125 16:26:16 -54.004723 0.000438 BFGS: 2126 16:26:16 -54.004724 0.000391 BFGS: 2127 16:26:17 -54.004708 0.001948 BFGS: 2128 16:26:17 -54.004725 0.000298 BFGS: 2129 16:26:18 -54.004725 0.000243 BFGS: 2130 16:26:18 -54.004708 0.001840 BFGS: 2131 16:26:18 -54.004726 0.000198 BFGS: 2132 16:26:19 -54.004724 0.001582 BFGS: 2133 16:26:19 -54.004726 0.000195 BFGS: 2134 16:26:19 -54.004726 0.001560 BFGS: 2135 16:26:20 -54.004726 0.001558 BFGS: 2136 16:26:20 -54.004676 0.002682 BFGS: 2137 16:26:20 -54.004709 0.001079 BFGS: 2138 16:26:21 -54.004709 0.002013 BFGS: 2139 16:26:21 -54.004718 0.000559 BFGS: 2140 16:26:21 -54.004722 0.000472 BFGS: 2141 16:26:22 -54.004708 0.001765 BFGS: 2142 16:26:22 -54.004723 0.000390 BFGS: 2143 16:26:22 -54.004724 0.000332 BFGS: 2144 16:26:23 -54.004708 0.001891 BFGS: 2145 16:26:23 -54.004725 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0.000195 BFGS: 9796 17:06:35 -54.004726 0.000194 BFGS: 9797 17:06:35 -54.004726 0.000194 BFGS: 9798 17:06:35 -54.004726 0.000194 BFGS: 9799 17:06:36 -54.004726 0.000194 BFGS: 9800 17:06:36 -54.004726 0.000194 BFGS: 9801 17:06:36 -54.004726 0.000194 BFGS: 9802 17:06:37 -54.004726 0.001558 BFGS: 9803 17:06:37 -54.004726 0.000195 BFGS: 9804 17:06:37 -54.004726 0.000195 BFGS: 9805 17:06:37 -54.004726 0.000194 BFGS: 9806 17:06:38 -54.004726 0.000194 BFGS: 9807 17:06:38 -54.004726 0.000194 BFGS: 9808 17:06:38 -54.004726 0.000194 BFGS: 9809 17:06:39 -54.004726 0.000194 BFGS: 9810 17:06:39 -54.004726 0.000194 BFGS: 9811 17:06:39 -54.004726 0.001558 BFGS: 9812 17:06:40 -54.004726 0.000195 BFGS: 9813 17:06:40 -54.004726 0.000195 BFGS: 9814 17:06:40 -54.004726 0.000194 BFGS: 9815 17:06:41 -54.004726 0.000194 BFGS: 9816 17:06:41 -54.004726 0.000194 BFGS: 9817 17:06:42 -54.004726 0.000194 BFGS: 9818 17:06:42 -54.004726 0.000194 BFGS: 9819 17:06:42 -54.004726 0.000194 BFGS: 9820 17:06:43 -54.004726 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0.000194 BFGS: 9846 17:06:51 -54.004726 0.000194 BFGS: 9847 17:06:51 -54.004726 0.001558 BFGS: 9848 17:06:52 -54.004726 0.000195 BFGS: 9849 17:06:52 -54.004726 0.000195 BFGS: 9850 17:06:52 -54.004726 0.000194 BFGS: 9851 17:06:53 -54.004726 0.000194 BFGS: 9852 17:06:53 -54.004726 0.000194 BFGS: 9853 17:06:53 -54.004726 0.000194 BFGS: 9854 17:06:54 -54.004726 0.000194 BFGS: 9855 17:06:54 -54.004726 0.000194 BFGS: 9856 17:06:54 -54.004726 0.001558 BFGS: 9857 17:06:54 -54.004726 0.000195 BFGS: 9858 17:06:55 -54.004726 0.000195 BFGS: 9859 17:06:55 -54.004726 0.000194 BFGS: 9860 17:06:56 -54.004726 0.000194 BFGS: 9861 17:06:56 -54.004726 0.000194 BFGS: 9862 17:06:56 -54.004726 0.000194 BFGS: 9863 17:06:57 -54.004726 0.000194 BFGS: 9864 17:06:57 -54.004726 0.000194 BFGS: 9865 17:06:57 -54.004726 0.001558 BFGS: 9866 17:06:58 -54.004726 0.000195 BFGS: 9867 17:06:58 -54.004726 0.000195 BFGS: 9868 17:06:58 -54.004726 0.000194 BFGS: 9869 17:06:59 -54.004726 0.000194 BFGS: 9870 17:06:59 -54.004726 0.000194 BFGS: 9871 17:06:59 -54.004726 0.000194 BFGS: 9872 17:07:00 -54.004726 0.000194 BFGS: 9873 17:07:00 -54.004726 0.000194 BFGS: 9874 17:07:00 -54.004726 0.001558 BFGS: 9875 17:07:01 -54.004726 0.000195 BFGS: 9876 17:07:01 -54.004726 0.000195 BFGS: 9877 17:07:01 -54.004726 0.000194 BFGS: 9878 17:07:02 -54.004726 0.000194 BFGS: 9879 17:07:02 -54.004726 0.000194 BFGS: 9880 17:07:02 -54.004726 0.000194 BFGS: 9881 17:07:03 -54.004726 0.000194 BFGS: 9882 17:07:03 -54.004726 0.000194 BFGS: 9883 17:07:03 -54.004726 0.001558 BFGS: 9884 17:07:04 -54.004726 0.000195 BFGS: 9885 17:07:04 -54.004726 0.000195 BFGS: 9886 17:07:05 -54.004726 0.000194 BFGS: 9887 17:07:05 -54.004726 0.000194 BFGS: 9888 17:07:05 -54.004726 0.000194 BFGS: 9889 17:07:06 -54.004726 0.000194 BFGS: 9890 17:07:06 -54.004726 0.000194 BFGS: 9891 17:07:06 -54.004726 0.000194 BFGS: 9892 17:07:07 -54.004726 0.001558 BFGS: 9893 17:07:07 -54.004726 0.000195 BFGS: 9894 17:07:07 -54.004726 0.000195 BFGS: 9895 17:07:08 -54.004726 0.000194 BFGS: 9896 17:07:08 -54.004726 0.000194 BFGS: 9897 17:07:08 -54.004726 0.000194 BFGS: 9898 17:07:09 -54.004726 0.000194 BFGS: 9899 17:07:09 -54.004726 0.000194 BFGS: 9900 17:07:09 -54.004726 0.000194 BFGS: 9901 17:07:10 -54.004726 0.001558 BFGS: 9902 17:07:10 -54.004726 0.000195 BFGS: 9903 17:07:10 -54.004726 0.000195 BFGS: 9904 17:07:11 -54.004726 0.000194 BFGS: 9905 17:07:11 -54.004726 0.000194 BFGS: 9906 17:07:12 -54.004726 0.000194 BFGS: 9907 17:07:12 -54.004726 0.000194 BFGS: 9908 17:07:12 -54.004726 0.000194 BFGS: 9909 17:07:13 -54.004726 0.000194 BFGS: 9910 17:07:13 -54.004726 0.001558 BFGS: 9911 17:07:13 -54.004726 0.000195 BFGS: 9912 17:07:14 -54.004726 0.000195 BFGS: 9913 17:07:14 -54.004726 0.000194 BFGS: 9914 17:07:14 -54.004726 0.000194 BFGS: 9915 17:07:15 -54.004726 0.000194 BFGS: 9916 17:07:15 -54.004726 0.000194 BFGS: 9917 17:07:15 -54.004726 0.000194 BFGS: 9918 17:07:16 -54.004726 0.000194 BFGS: 9919 17:07:16 -54.004726 0.001558 BFGS: 9920 17:07:16 -54.004726 0.000195 BFGS: 9921 17:07:17 -54.004726 0.000195 BFGS: 9922 17:07:17 -54.004726 0.000194 BFGS: 9923 17:07:17 -54.004726 0.000194 BFGS: 9924 17:07:18 -54.004726 0.000194 BFGS: 9925 17:07:18 -54.004726 0.000194 BFGS: 9926 17:07:18 -54.004726 0.000194 BFGS: 9927 17:07:19 -54.004726 0.000194 BFGS: 9928 17:07:19 -54.004726 0.001558 BFGS: 9929 17:07:19 -54.004726 0.000195 BFGS: 9930 17:07:20 -54.004726 0.000195 BFGS: 9931 17:07:20 -54.004726 0.000194 BFGS: 9932 17:07:21 -54.004726 0.000194 BFGS: 9933 17:07:21 -54.004726 0.000194 BFGS: 9934 17:07:21 -54.004726 0.000194 BFGS: 9935 17:07:22 -54.004726 0.000194 BFGS: 9936 17:07:22 -54.004726 0.000194 BFGS: 9937 17:07:22 -54.004726 0.001558 BFGS: 9938 17:07:23 -54.004726 0.000195 BFGS: 9939 17:07:23 -54.004726 0.000195 BFGS: 9940 17:07:23 -54.004726 0.000194 BFGS: 9941 17:07:24 -54.004726 0.000194 BFGS: 9942 17:07:24 -54.004726 0.000194 BFGS: 9943 17:07:24 -54.004726 0.000194 BFGS: 9944 17:07:25 -54.004726 0.000194 BFGS: 9945 17:07:25 -54.004726 0.000194 BFGS: 9946 17:07:25 -54.004726 0.001558 BFGS: 9947 17:07:26 -54.004726 0.000195 BFGS: 9948 17:07:26 -54.004726 0.000195 BFGS: 9949 17:07:26 -54.004726 0.000194 BFGS: 9950 17:07:27 -54.004726 0.000194 BFGS: 9951 17:07:27 -54.004726 0.000194 BFGS: 9952 17:07:27 -54.004726 0.000194 BFGS: 9953 17:07:28 -54.004726 0.000194 BFGS: 9954 17:07:28 -54.004726 0.000194 BFGS: 9955 17:07:28 -54.004726 0.001558 BFGS: 9956 17:07:29 -54.004726 0.000195 BFGS: 9957 17:07:29 -54.004726 0.000195 BFGS: 9958 17:07:29 -54.004726 0.000194 BFGS: 9959 17:07:30 -54.004726 0.000194 BFGS: 9960 17:07:30 -54.004726 0.000194 BFGS: 9961 17:07:30 -54.004726 0.000194 BFGS: 9962 17:07:31 -54.004726 0.000194 BFGS: 9963 17:07:31 -54.004726 0.000194 BFGS: 9964 17:07:32 -54.004726 0.001558 BFGS: 9965 17:07:32 -54.004726 0.000195 BFGS: 9966 17:07:32 -54.004726 0.000195 BFGS: 9967 17:07:33 -54.004726 0.000194 BFGS: 9968 17:07:33 -54.004726 0.000194 BFGS: 9969 17:07:33 -54.004726 0.000194 BFGS: 9970 17:07:34 -54.004726 0.000194 BFGS: 9971 17:07:34 -54.004726 0.000194 BFGS: 9972 17:07:34 -54.004726 0.000194 BFGS: 9973 17:07:35 -54.004726 0.001558 BFGS: 9974 17:07:35 -54.004726 0.000195 BFGS: 9975 17:07:35 -54.004726 0.000195 BFGS: 9976 17:07:36 -54.004726 0.000194 BFGS: 9977 17:07:36 -54.004726 0.000194 BFGS: 9978 17:07:36 -54.004726 0.000194 BFGS: 9979 17:07:37 -54.004726 0.000194 BFGS: 9980 17:07:37 -54.004726 0.000194 BFGS: 9981 17:07:37 -54.004726 0.000194 BFGS: 9982 17:07:38 -54.004726 0.001558 BFGS: 9983 17:07:38 -54.004726 0.000195 BFGS: 9984 17:07:38 -54.004726 0.000195 BFGS: 9985 17:07:39 -54.004726 0.000194 BFGS: 9986 17:07:39 -54.004726 0.000194 BFGS: 9987 17:07:39 -54.004726 0.000194 BFGS: 9988 17:07:40 -54.004726 0.000194 BFGS: 9989 17:07:40 -54.004726 0.000194 BFGS: 9990 17:07:40 -54.004726 0.000194 BFGS: 9991 17:07:41 -54.004726 0.001558 BFGS: 9992 17:07:41 -54.004726 0.000195 BFGS: 9993 17:07:42 -54.004726 0.000195 BFGS: 9994 17:07:42 -54.004726 0.000194 BFGS: 9995 17:07:42 -54.004726 0.000194 BFGS: 9996 17:07:43 -54.004726 0.000194 BFGS: 9997 17:07:43 -54.004726 0.000194 BFGS: 9998 17:07:43 -54.004726 0.000194 BFGS: 9999 17:07:44 -54.004726 0.000194 BFGS: 10000 17:07:44 -54.004726 0.001558 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.0013832317356923924 eV/Angstrom Maximum stress component: 9.906444302483828e-05 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['B', 'B', 'B', 'B', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H'] basis = [[9.22897151e-01 5.00821972e-01 7.03903838e-01] [7.71028492e-02 8.21972377e-04 7.96096162e-01] [7.71028492e-02 4.99178028e-01 2.96096162e-01] [9.22897151e-01 9.99178028e-01 2.03903838e-01] [7.25546916e-01 6.46982611e-01 5.00880588e-01] [2.74453084e-01 1.46982611e-01 9.99119412e-01] [2.74453084e-01 3.53017389e-01 4.99119412e-01] [7.25546916e-01 8.53017389e-01 8.80587993e-04] [8.98561180e-02 5.96754852e-01 8.19323862e-01] [9.10143882e-01 9.67548524e-02 6.80676138e-01] [9.10143882e-01 4.03245148e-01 1.80676138e-01] [8.98561180e-02 9.03245148e-01 3.19323862e-01] [6.69387624e-01 4.05015379e-01 8.22892461e-01] [3.30612376e-01 9.05015379e-01 6.77107539e-01] [3.30612376e-01 5.94984621e-01 1.77107539e-01] [6.69387624e-01 9.49846214e-02 3.22892461e-01]] cellpar = Cell([[3.4811187201704517, 1.2993591211847038e-17, 0.015326713585266372], [1.5112959865902355e-17, 7.016470589958186, 1.04812148630055e-18], [1.3388340209157967, 4.899471317682647e-18, 5.656278529085219]]) forces = [[ 1.61982053e-04 -1.38317430e-03 -9.38508440e-04] [-1.61982053e-04 -1.38317430e-03 9.38508440e-04] [-1.61982053e-04 1.38317430e-03 9.38508440e-04] [ 1.61982053e-04 1.38317430e-03 -9.38508440e-04] [-1.61927005e-04 -1.38323174e-03 9.38519862e-04] [ 1.61927005e-04 -1.38323174e-03 -9.38519862e-04] [ 1.61927005e-04 1.38323174e-03 -9.38519862e-04] [-1.61927005e-04 1.38323174e-03 9.38519862e-04] [ 1.46365903e-08 1.25196134e-08 3.46160817e-09] [-1.46365903e-08 1.25196134e-08 -3.46160817e-09] [-1.46365903e-08 -1.25196134e-08 -3.46160817e-09] [ 1.46365903e-08 -1.25196134e-08 3.46160817e-09] [-1.70965673e-08 -1.71809695e-08 1.06372325e-08] [ 1.70965673e-08 -1.71809695e-08 -1.06372325e-08] [ 1.70965673e-08 1.71809695e-08 -1.06372325e-08] [-1.70965673e-08 1.71809695e-08 1.06372325e-08]] stress = [-1.35763092e-06 -9.90644430e-05 -4.56109603e-05 -7.50198997e-21 7.87208686e-06 5.02375312e-22] energy per atom = -3.3694801568846136 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0