element(s): ['O'] AFLOW prototype label: A_mC4_12_i Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'z1'] model type (only 'standard' supported at this time): standard number of parameter sets: 2 Parameter values for parameter set 0: ['6.1332', '0.61429596', '0.89643253', '135.4539', '0.097219577', '0.15969399'] Parameter values for parameter set 1: ['4.8144', '0.81652958', '0.98066218', '141.8659', '0.18473196', '0.088770687'] model name: Sim_LAMMPS_Buckingham_CarreHorbachIspas_2008_SiO__SM_886641404623_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O'] representative atom coordinates = [[0.09721958 0. 0.15969399]] spacegroup = 12 cell = [[6.1332, 0, 0], [0, 3.7676, 0], [-3.9183491069823, 0, 3.8567530742597]] ========================================= Step Time Energy fmax BFGS: 0 16:30:13 20.380343 39.993050 BFGS: 1 16:30:13 11.581013 38.022921 BFGS: 2 16:30:13 5.356090 33.870469 BFGS: 3 16:30:13 1.400930 30.547071 BFGS: 4 16:30:13 -1.480992 27.860728 BFGS: 5 16:30:13 -3.746891 25.600000 BFGS: 6 16:30:13 -5.608471 23.640347 BFGS: 7 16:30:13 -7.180037 22.031444 BFGS: 8 16:30:13 -8.530330 20.681308 BFGS: 9 16:30:13 -9.704196 19.422480 BFGS: 10 16:30:13 -10.732751 18.246929 BFGS: 11 16:30:13 -11.638683 17.148001 BFGS: 12 16:30:13 -12.439129 16.120016 BFGS: 13 16:30:13 -13.147917 15.157983 BFGS: 14 16:30:13 -13.775968 14.257398 BFGS: 15 16:30:13 -14.332386 13.414206 BFGS: 16 16:30:13 -14.825131 12.624555 BFGS: 17 16:30:13 -15.260780 11.885019 BFGS: 18 16:30:13 -15.644937 11.192405 BFGS: 19 16:30:13 -15.983250 10.543510 BFGS: 20 16:30:13 -16.279859 9.935492 BFGS: 21 16:30:13 -16.539090 9.516010 BFGS: 22 16:30:13 -16.747084 8.840129 BFGS: 23 16:30:14 -16.943906 8.337620 BFGS: 24 16:30:14 -17.113113 7.866068 BFGS: 25 16:30:14 -17.257474 7.423359 BFGS: 26 16:30:14 -17.379232 7.007493 BFGS: 27 16:30:14 -17.480706 6.616591 BFGS: 28 16:30:14 -17.563851 6.248916 BFGS: 29 16:30:14 -17.630476 5.902860 BFGS: 30 16:30:14 -17.682181 5.780444 BFGS: 31 16:30:14 -17.742222 5.259507 BFGS: 32 16:30:14 -17.833576 4.932245 BFGS: 33 16:30:14 -17.935433 4.611621 BFGS: 34 16:30:14 -18.040845 4.302382 BFGS: 35 16:30:14 -18.143149 4.008768 BFGS: 36 16:30:14 -18.236790 3.734031 BFGS: 37 16:30:14 -18.317687 3.641046 BFGS: 38 16:30:14 -18.383290 3.248869 BFGS: 39 16:30:14 -18.431875 3.038692 BFGS: 40 16:30:15 -18.463858 2.848843 BFGS: 41 16:30:15 -18.479838 2.677819 BFGS: 42 16:30:15 -18.481135 2.523837 BFGS: 43 16:30:15 -18.469183 2.523821 BFGS: 44 16:30:15 -18.447132 2.258538 BFGS: 45 16:30:15 -18.412847 2.145455 BFGS: 46 16:30:15 -18.370273 2.042472 BFGS: 47 16:30:15 -18.320823 1.948276 BFGS: 48 16:30:15 -18.265776 1.861732 BFGS: 49 16:30:15 -18.206263 1.781872 BFGS: 50 16:30:15 -18.143283 1.707871 BFGS: 51 16:30:15 -18.077690 1.639033 BFGS: 52 16:30:15 -18.010202 1.574770 BFGS: 53 16:30:15 -17.941484 1.514587 BFGS: 54 16:30:15 -17.872035 1.459788 BFGS: 55 16:30:15 -17.802291 1.442650 BFGS: 56 16:30:15 -17.732595 1.425250 BFGS: 57 16:30:15 -17.663265 1.407590 BFGS: 58 16:30:15 -17.594520 1.389682 BFGS: 59 16:30:15 -17.526597 1.438970 BFGS: 60 16:30:15 -17.458323 1.420308 BFGS: 61 16:30:15 -17.391104 1.401453 BFGS: 62 16:30:15 -17.325089 1.382424 BFGS: 63 16:30:15 -17.260331 1.363244 BFGS: 64 16:30:15 -17.196897 1.343936 BFGS: 65 16:30:15 -17.134831 1.324522 BFGS: 66 16:30:16 -17.074159 1.305029 BFGS: 67 16:30:16 -17.014867 1.285453 BFGS: 68 16:30:16 -16.956994 1.265848 BFGS: 69 16:30:16 -16.900564 1.246249 BFGS: 70 16:30:16 -16.845536 1.256078 BFGS: 71 16:30:16 -16.791884 1.265102 BFGS: 72 16:30:16 -16.739579 1.272216 BFGS: 73 16:30:16 -16.688592 1.277495 BFGS: 74 16:30:16 -16.638882 1.281014 BFGS: 75 16:30:16 -16.590406 1.282838 BFGS: 76 16:30:16 -16.543123 1.283026 BFGS: 77 16:30:16 -16.496844 1.281624 BFGS: 78 16:30:16 -16.451722 1.278709 BFGS: 79 16:30:16 -16.407701 1.274312 BFGS: 80 16:30:16 -16.364659 1.268484 BFGS: 81 16:30:16 -16.322516 1.261260 BFGS: 82 16:30:16 -16.281253 1.252702 BFGS: 83 16:30:16 -16.240788 1.242842 BFGS: 84 16:30:16 -16.200994 1.231718 BFGS: 85 16:30:16 -16.161937 1.219367 BFGS: 86 16:30:16 -16.123491 1.205831 BFGS: 87 16:30:16 -16.085587 1.191150 BFGS: 88 16:30:17 -16.048165 1.175363 BFGS: 89 16:30:17 -16.011160 1.158507 BFGS: 90 16:30:17 -15.974505 1.140625 BFGS: 91 16:30:17 -15.938142 1.121754 BFGS: 92 16:30:17 -15.902005 1.101937 BFGS: 93 16:30:17 -15.866031 1.081216 BFGS: 94 16:30:17 -15.830164 1.059632 BFGS: 95 16:30:17 -15.794316 1.037232 BFGS: 96 16:30:17 -15.758923 1.013219 BFGS: 97 16:30:17 -15.723431 0.988483 BFGS: 98 16:30:17 -15.687788 0.963070 BFGS: 99 16:30:17 -15.651943 0.937026 BFGS: 100 16:30:17 -15.615850 0.910401 BFGS: 101 16:30:17 -15.579463 0.883244 BFGS: 102 16:30:17 -15.542744 0.855603 BFGS: 103 16:30:17 -15.505622 0.827518 BFGS: 104 16:30:17 -15.468127 0.799056 BFGS: 105 16:30:17 -15.429876 0.771006 BFGS: 106 16:30:17 -15.391217 0.742684 BFGS: 107 16:30:17 -15.352383 0.713363 BFGS: 108 16:30:17 -15.313051 0.683853 BFGS: 109 16:30:17 -15.273006 0.654888 BFGS: 110 16:30:17 -15.232650 0.625139 BFGS: 111 16:30:17 -15.191764 0.595342 BFGS: 112 16:30:17 -15.150338 0.565544 BFGS: 113 16:30:17 -15.108350 0.535789 BFGS: 114 16:30:17 -15.065737 0.506719 BFGS: 115 16:30:17 -15.022707 0.492581 BFGS: 116 16:30:17 -14.979166 0.481494 BFGS: 117 16:30:17 -14.935108 0.470628 BFGS: 118 16:30:17 -14.890554 0.459990 BFGS: 119 16:30:17 -14.845467 0.449473 BFGS: 120 16:30:17 -14.799965 0.449816 BFGS: 121 16:30:17 -14.753990 0.429335 BFGS: 122 16:30:17 -14.707618 0.419567 BFGS: 123 16:30:17 -14.660820 0.409996 BFGS: 124 16:30:17 -14.613663 0.400640 BFGS: 125 16:30:17 -14.566149 0.320212 BFGS: 126 16:30:17 -14.518145 0.382339 BFGS: 127 16:30:18 -14.469508 0.304048 BFGS: 128 16:30:18 -14.420243 0.296084 BFGS: 129 16:30:18 -14.370594 0.288318 BFGS: 130 16:30:18 -14.320601 0.280744 BFGS: 131 16:30:18 -14.270308 0.273356 BFGS: 132 16:30:18 -14.219751 0.266149 BFGS: 133 16:30:18 -14.168976 0.259116 BFGS: 134 16:30:18 -14.118021 0.252251 BFGS: 135 16:30:18 -14.066932 0.245547 BFGS: 136 16:30:18 -14.015746 0.238999 BFGS: 137 16:30:18 -13.964499 0.232603 BFGS: 138 16:30:18 -13.913086 0.226329 BFGS: 139 16:30:18 -13.861840 0.220220 BFGS: 140 16:30:18 -13.810645 0.214245 BFGS: 141 16:30:19 -13.759542 0.208397 BFGS: 142 16:30:19 -13.708523 0.258487 BFGS: 143 16:30:19 -13.657689 0.217574 BFGS: 144 16:30:19 -13.606870 0.227496 BFGS: 145 16:30:19 -13.556329 0.236654 BFGS: 146 16:30:19 -13.506044 0.245063 BFGS: 147 16:30:19 -13.456094 0.252702 BFGS: 148 16:30:19 -13.406457 0.259592 BFGS: 149 16:30:19 -13.357145 0.265744 BFGS: 150 16:30:19 -13.308167 0.271162 BFGS: 151 16:30:19 -13.259527 0.275857 BFGS: 152 16:30:20 -13.211160 0.279875 BFGS: 153 16:30:20 -13.163400 0.280100 BFGS: 154 16:30:20 -13.116222 0.275467 BFGS: 155 16:30:20 -13.069426 0.269456 BFGS: 156 16:30:20 -13.022882 0.263279 BFGS: 157 16:30:20 -12.976893 0.255818 BFGS: 158 16:30:20 -12.931171 0.246390 BFGS: 159 16:30:20 -12.885747 0.236915 BFGS: 160 16:30:20 -12.840522 0.227433 BFGS: 161 16:30:20 -12.795802 0.216850 BFGS: 162 16:30:20 -12.751259 0.204502 BFGS: 163 16:30:20 -12.706968 0.192255 BFGS: 164 16:30:20 -12.662922 0.180117 BFGS: 165 16:30:20 -12.619119 0.168097 BFGS: 166 16:30:20 -12.575462 0.156226 BFGS: 167 16:30:20 -12.532223 0.143586 BFGS: 168 16:30:20 -12.488903 0.129555 BFGS: 169 16:30:21 -12.445962 0.114998 BFGS: 170 16:30:21 -12.402959 0.099326 BFGS: 171 16:30:21 -12.360119 0.084068 BFGS: 172 16:30:21 -12.317465 0.079060 BFGS: 173 16:30:21 -12.274988 0.075314 BFGS: 174 16:30:21 -12.232677 0.071636 BFGS: 175 16:30:21 -12.190554 0.068080 BFGS: 176 16:30:21 -12.148611 0.064613 BFGS: 177 16:30:21 -12.106849 0.061231 BFGS: 178 16:30:21 -12.065270 0.057932 BFGS: 179 16:30:21 -12.023874 0.054711 BFGS: 180 16:30:21 -11.982661 0.051564 BFGS: 181 16:30:21 -11.941632 0.049034 BFGS: 182 16:30:21 -11.900783 0.057940 BFGS: 183 16:30:21 -11.860108 0.065772 BFGS: 184 16:30:21 -11.819592 0.072030 BFGS: 185 16:30:21 -11.779206 0.075807 BFGS: 186 16:30:21 -11.738904 0.075141 BFGS: 187 16:30:21 -11.698481 0.068689 BFGS: 188 16:30:21 -11.691180 0.061434 BFGS: 189 16:30:21 -11.648013 0.034871 BFGS: 190 16:30:21 -11.629214 0.035390 BFGS: 191 16:30:21 -11.630448 0.035290 BFGS: 192 16:30:21 -11.658639 0.049575 BFGS: 193 16:30:21 -11.693714 0.058605 BFGS: 194 16:30:21 -11.730188 0.059335 BFGS: 195 16:30:21 -11.767001 0.055020 BFGS: 196 16:30:21 -11.802923 0.047488 BFGS: 197 16:30:22 -11.836448 0.059621 BFGS: 198 16:30:22 -11.815825 0.057575 BFGS: 199 16:30:22 -11.764084 0.030883 BFGS: 200 16:30:22 -11.739456 0.048821 BFGS: 201 16:30:22 -11.715770 0.031678 BFGS: 202 16:30:22 -11.705937 0.037121 BFGS: 203 16:30:22 -11.695651 0.040459 BFGS: 204 16:30:22 -11.695601 0.041393 BFGS: 205 16:30:22 -11.693533 0.042390 BFGS: 206 16:30:22 -11.691619 0.041152 BFGS: 207 16:30:22 -11.689831 0.038577 BFGS: 208 16:30:22 -11.688187 0.035119 BFGS: 209 16:30:22 -11.686690 0.030868 BFGS: 210 16:30:22 -11.685397 0.026089 BFGS: 211 16:30:22 -11.684389 0.020898 BFGS: 212 16:30:22 -11.683796 0.018180 BFGS: 213 16:30:22 -11.683851 0.020399 BFGS: 214 16:30:22 -11.685015 0.022568 BFGS: 215 16:30:23 -11.688444 0.024463 BFGS: 216 16:30:23 -11.692758 0.024849 BFGS: 217 16:30:23 -11.711455 0.025117 BFGS: 218 16:30:23 -11.736903 0.024574 BFGS: 219 16:30:23 -11.768810 0.023220 BFGS: 220 16:30:23 -11.807212 0.020995 BFGS: 221 16:30:23 -11.852493 0.017779 BFGS: 222 16:30:23 -11.904509 0.013579 BFGS: 223 16:30:23 -11.936265 0.015145 BFGS: 224 16:30:23 -11.935404 0.014924 BFGS: 225 16:30:23 -11.930931 0.014390 BFGS: 226 16:30:23 -11.928138 0.014048 BFGS: 227 16:30:23 -11.921133 0.013087 BFGS: 228 16:30:23 -11.912122 0.011598 BFGS: 229 16:30:23 -11.898977 0.008757 BFGS: 230 16:30:23 -11.887469 0.010086 BFGS: 231 16:30:23 -11.886348 0.010414 BFGS: 232 16:30:23 -11.895495 0.008776 BFGS: 233 16:30:23 -11.908940 0.006418 BFGS: 234 16:30:24 -11.924469 0.003866 BFGS: 235 16:30:24 -11.941185 0.001620 BFGS: 236 16:30:24 -11.947694 0.001452 BFGS: 237 16:30:24 -11.948196 0.001338 BFGS: 238 16:30:24 -11.947889 0.001303 BFGS: 239 16:30:24 -11.947782 0.001300 BFGS: 240 16:30:24 -11.947471 0.001292 BFGS: 241 16:30:24 -11.947194 0.001287 BFGS: 242 16:30:24 -11.946766 0.001282 BFGS: 243 16:30:24 -11.946199 0.001977 BFGS: 244 16:30:24 -11.945314 0.003467 BFGS: 245 16:30:24 -11.943878 0.005894 BFGS: 246 16:30:24 -11.941330 0.009941 BFGS: 247 16:30:24 -11.938099 0.014503 BFGS: 248 16:30:24 -11.935623 0.017429 BFGS: 249 16:30:24 -11.933646 0.019165 BFGS: 250 16:30:24 -11.932093 0.019795 BFGS: 251 16:30:24 -11.930982 0.019154 BFGS: 252 16:30:24 -11.930430 0.016744 BFGS: 253 16:30:24 -11.930826 0.011109 BFGS: 254 16:30:24 -11.932671 0.003193 BFGS: 255 16:30:24 -11.934060 0.002370 BFGS: 256 16:30:24 -11.934601 0.002382 BFGS: 257 16:30:24 -11.934717 0.002385 BFGS: 258 16:30:24 -11.935203 0.002402 BFGS: 259 16:30:24 -11.935548 0.002415 BFGS: 260 16:30:24 -11.936391 0.002441 BFGS: 261 16:30:24 -11.937496 0.002465 BFGS: 262 16:30:24 -11.939092 0.002464 BFGS: 263 16:30:24 -11.940726 0.002361 BFGS: 264 16:30:24 -11.941090 0.001991 BFGS: 265 16:30:24 -11.937461 0.001199 BFGS: 266 16:30:24 -11.929469 0.000715 BFGS: 267 16:30:24 -11.923709 0.000290 BFGS: 268 16:30:24 -11.922495 0.000043 BFGS: 269 16:30:24 -11.922722 0.000004 BFGS: 270 16:30:24 -11.922764 0.000000 BFGS: 271 16:30:24 -11.922767 0.000000 BFGS: 272 16:30:24 -11.922767 0.000000 BFGS: 273 16:30:24 -11.922767 0.000000 Minimization converged after 273 steps. Maximum force component: 3.977100978485458e-09 eV/Angstrom Maximum stress component: 2.0995595910526923e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O'] basis = [[9.99996645e-01 0.00000000e+00 2.50000044e-01] [3.35504655e-06 0.00000000e+00 7.49999956e-01] [4.99996645e-01 5.00000000e-01 2.50000044e-01] [5.00003355e-01 5.00000000e-01 7.49999956e-01]] cellpar = Cell([[12.369486770252463, -7.130319477322956e-18, -0.25843530063244613], [-2.0809635424980444e-18, 7.146502807096473, 6.409767746255766e-17], [-8.006504271448101, 6.100927555320795e-17, 11.838134003721642]]) forces = [[-3.97710098e-09 -1.97354054e-27 -7.99788789e-10] [ 3.97710098e-09 1.97354054e-27 7.99788789e-10] [-3.97710098e-09 -1.97354054e-27 -7.99788789e-10] [ 3.97710098e-09 1.97354054e-27 7.99788789e-10]] stress = [-3.19177047e-12 -1.49681834e-11 -2.09955959e-11 -1.36856749e-30 -1.16153778e-11 1.16348876e-30] energy per atom = -2.9806917170557683 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['O'] representative atom coordinates = [[0.18473196 0. 0.08877069]] spacegroup = 12 cell = [[4.8144, 0, 0], [0, 3.9311, 0], [-3.7136218422721, 0, 2.9154221825663]] ========================================= Step Time Energy fmax BFGS: 0 16:30:27 23.352140 37.598933 BFGS: 1 16:30:27 15.085314 37.211097 BFGS: 2 16:30:27 9.260946 34.966514 BFGS: 3 16:30:27 5.576738 32.774778 BFGS: 4 16:30:27 2.799548 30.784752 BFGS: 5 16:30:27 0.507859 28.966532 BFGS: 6 16:30:27 -1.466286 27.299168 BFGS: 7 16:30:27 -3.201953 25.771985 BFGS: 8 16:30:27 -4.743842 23.933149 BFGS: 9 16:30:27 -6.268912 22.583745 BFGS: 10 16:30:27 -7.572935 21.392253 BFGS: 11 16:30:27 -8.709928 20.328569 BFGS: 12 16:30:27 -9.727276 19.355898 BFGS: 13 16:30:28 -10.655720 19.111342 BFGS: 14 16:30:28 -13.060860 16.208773 BFGS: 15 16:30:28 -13.903927 15.244574 BFGS: 16 16:30:28 -15.117952 13.866399 BFGS: 17 16:30:28 -16.276491 13.092649 BFGS: 18 16:30:28 -17.157268 11.358910 BFGS: 19 16:30:28 -17.761460 10.550546 BFGS: 20 16:30:28 -18.264210 9.854785 BFGS: 21 16:30:28 -18.687197 9.394875 BFGS: 22 16:30:28 -19.047650 8.977718 BFGS: 23 16:30:28 -19.357389 8.567948 BFGS: 24 16:30:28 -19.625061 8.169159 BFGS: 25 16:30:28 -19.856805 7.783518 BFGS: 26 16:30:28 -20.057378 7.412344 BFGS: 27 16:30:28 -20.230366 7.056329 BFGS: 28 16:30:28 -20.378277 6.715871 BFGS: 29 16:30:28 -20.503934 6.161879 BFGS: 30 16:30:28 -20.606445 5.860295 BFGS: 31 16:30:28 -20.691600 5.573080 BFGS: 32 16:30:28 -20.760572 5.299716 BFGS: 33 16:30:28 -20.814341 5.043458 BFGS: 34 16:30:28 -20.853917 4.841213 BFGS: 35 16:30:28 -20.880321 4.644885 BFGS: 36 16:30:28 -20.894356 4.454813 BFGS: 37 16:30:28 -20.897147 4.271153 BFGS: 38 16:30:28 -20.889300 4.094068 BFGS: 39 16:30:28 -20.871761 4.295305 BFGS: 40 16:30:28 -20.844560 4.126886 BFGS: 41 16:30:28 -20.809001 3.965473 BFGS: 42 16:30:28 -20.766076 3.810843 BFGS: 43 16:30:28 -20.716358 3.327577 BFGS: 44 16:30:28 -20.661969 3.188252 BFGS: 45 16:30:28 -20.601865 3.055738 BFGS: 46 16:30:28 -20.536915 2.929652 BFGS: 47 16:30:28 -20.467179 2.809752 BFGS: 48 16:30:28 -20.393696 2.695568 BFGS: 49 16:30:28 -20.316441 2.586877 BFGS: 50 16:30:28 -20.236016 2.483396 BFGS: 51 16:30:28 -20.152674 2.385265 BFGS: 52 16:30:28 -20.066938 2.300638 BFGS: 53 16:30:28 -19.978961 2.219504 BFGS: 54 16:30:28 -19.889009 2.141684 BFGS: 55 16:30:28 -19.797207 2.067053 BFGS: 56 16:30:29 -19.703995 1.995377 BFGS: 57 16:30:29 -19.609455 1.926531 BFGS: 58 16:30:29 -19.513928 1.860387 BFGS: 59 16:30:29 -19.417467 1.796817 BFGS: 60 16:30:29 -19.320157 1.735737 BFGS: 61 16:30:29 -19.222342 1.676980 BFGS: 62 16:30:29 -19.124087 1.620454 BFGS: 63 16:30:29 -19.025460 1.566071 BFGS: 64 16:30:29 -18.926473 1.513731 BFGS: 65 16:30:29 -18.827500 1.463340 BFGS: 66 16:30:29 -18.728483 1.414818 BFGS: 67 16:30:29 -18.629505 1.368085 BFGS: 68 16:30:29 -18.530600 1.323064 BFGS: 69 16:30:29 -18.431921 1.279684 BFGS: 70 16:30:29 -18.333394 1.237878 BFGS: 71 16:30:29 -18.235259 1.197577 BFGS: 72 16:30:29 -18.137472 1.158721 BFGS: 73 16:30:29 -18.040079 1.121251 BFGS: 74 16:30:29 -17.943027 1.085111 BFGS: 75 16:30:29 -17.846443 1.050249 BFGS: 76 16:30:29 -17.750380 1.016611 BFGS: 77 16:30:29 -17.654908 0.984152 BFGS: 78 16:30:29 -17.559945 0.952820 BFGS: 79 16:30:29 -17.465594 0.922575 BFGS: 80 16:30:29 -17.371701 0.893367 BFGS: 81 16:30:29 -17.278541 0.865171 BFGS: 82 16:30:29 -17.185997 0.837937 BFGS: 83 16:30:29 -17.094079 0.811631 BFGS: 84 16:30:29 -17.002753 0.786214 BFGS: 85 16:30:29 -16.912111 0.761660 BFGS: 86 16:30:30 -16.822080 0.737927 BFGS: 87 16:30:30 -16.732741 0.757440 BFGS: 88 16:30:30 -16.643848 0.733604 BFGS: 89 16:30:30 -16.555614 0.710566 BFGS: 90 16:30:30 -16.468043 0.688296 BFGS: 91 16:30:30 -16.381128 0.666769 BFGS: 92 16:30:30 -16.294876 0.645955 BFGS: 93 16:30:30 -16.209275 0.625832 BFGS: 94 16:30:30 -16.124329 0.606372 BFGS: 95 16:30:30 -16.040034 0.587554 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BFGS: 1814 16:30:54 -11.737451 0.000007 BFGS: 1815 16:30:54 -11.737451 0.000007 BFGS: 1816 16:30:54 -11.737451 0.000007 BFGS: 1817 16:30:54 -11.737451 0.000007 BFGS: 1818 16:30:54 -11.737451 0.000007 BFGS: 1819 16:30:54 -11.737451 0.000007 BFGS: 1820 16:30:54 -11.737451 0.000007 BFGS: 1821 16:30:54 -11.737188 0.013388 BFGS: 1822 16:30:54 -11.737188 0.013690 BFGS: 1823 16:30:54 -11.737188 0.013690 BFGS: 1824 16:30:54 -11.737188 0.013690 BFGS: 1825 16:30:54 -11.737451 0.000007 BFGS: 1826 16:30:54 -11.737451 0.000007 BFGS: 1827 16:30:54 -11.737451 0.000007 BFGS: 1828 16:30:54 -11.737451 0.000007 BFGS: 1829 16:30:54 -11.737188 0.013690 BFGS: 1830 16:30:54 -11.737451 0.000007 BFGS: 1831 16:30:54 -11.737451 0.000007 BFGS: 1832 16:30:54 -11.737451 0.000007 BFGS: 1833 16:30:54 -11.737451 0.000007 BFGS: 1834 16:30:54 -11.737188 0.013388 BFGS: 1835 16:30:54 -11.737451 0.000007 BFGS: 1836 16:30:54 -11.737451 0.000007 BFGS: 1837 16:30:54 -11.737188 0.013690 BFGS: 1838 16:30:54 -11.737451 0.000007 BFGS: 1839 16:30:54 -11.737188 0.013388 BFGS: 1840 16:30:54 -11.737451 0.000007 BFGS: 1841 16:30:54 -11.737451 0.000007 BFGS: 1842 16:30:54 -11.737188 0.013388 BFGS: 1843 16:30:54 -11.737451 0.000007 BFGS: 1844 16:30:54 -11.737451 0.000007 BFGS: 1845 16:30:54 -11.737451 0.000007 BFGS: 1846 16:30:54 -11.737188 0.013690 BFGS: 1847 16:30:54 -11.736953 0.021315 BFGS: 1848 16:30:54 -11.737188 0.013690 BFGS: 1849 16:30:54 -11.737451 0.000007 BFGS: 1850 16:30:54 -11.737451 0.000007 BFGS: 1851 16:30:54 -11.737451 0.000007 BFGS: 1852 16:30:54 -11.737451 0.000007 BFGS: 1853 16:30:54 -11.737451 0.000007 BFGS: 1854 16:30:54 -11.737451 0.000007 BFGS: 1855 16:30:54 -11.737451 0.000007 BFGS: 1856 16:30:54 -11.737188 0.013690 BFGS: 1857 16:30:54 -11.737188 0.013690 BFGS: 1858 16:30:54 -11.737451 0.000007 BFGS: 1859 16:30:54 -11.737451 0.000007 BFGS: 1860 16:30:54 -11.737188 0.013690 BFGS: 1861 16:30:54 -11.737188 0.013388 BFGS: 1862 16:30:54 -11.737451 0.000007 BFGS: 1863 16:30:54 -11.737451 0.000007 BFGS: 1864 16:30:54 -11.737451 0.000007 BFGS: 1865 16:30:54 -11.737451 0.000007 BFGS: 1866 16:30:54 -11.737451 0.000007 BFGS: 1867 16:30:54 -11.737451 0.000007 BFGS: 1868 16:30:54 -11.737451 0.000007 BFGS: 1869 16:30:54 -11.737451 0.000007 BFGS: 1870 16:30:54 -11.737451 0.000007 BFGS: 1871 16:30:54 -11.737451 0.000007 BFGS: 1872 16:30:54 -11.737451 0.000007 BFGS: 1873 16:30:54 -11.737451 0.000007 BFGS: 1874 16:30:54 -11.737451 0.000007 BFGS: 1875 16:30:54 -11.737451 0.000007 BFGS: 1876 16:30:54 -11.737188 0.013388 BFGS: 1877 16:30:54 -11.737451 0.000007 BFGS: 1878 16:30:54 -11.737451 0.000007 BFGS: 1879 16:30:54 -11.737451 0.000007 BFGS: 1880 16:30:54 -11.737451 0.000007 BFGS: 1881 16:30:54 -11.737451 0.000007 BFGS: 1882 16:30:54 -11.737188 0.013388 BFGS: 1883 16:30:54 -11.737451 0.000007 BFGS: 1884 16:30:54 -11.737188 0.013388 BFGS: 1885 16:30:54 -11.737451 0.000007 BFGS: 1886 16:30:54 -11.737451 0.000007 BFGS: 1887 16:30:54 -11.737451 0.000007 BFGS: 1888 16:30:54 -11.737451 0.000007 BFGS: 1889 16:30:54 -11.737451 0.000007 BFGS: 1890 16:30:54 -11.737451 0.000007 BFGS: 1891 16:30:54 -11.737451 0.000007 BFGS: 1892 16:30:54 -11.737188 0.013388 BFGS: 1893 16:30:54 -11.737188 0.013690 BFGS: 1894 16:30:54 -11.737451 0.000007 BFGS: 1895 16:30:55 -11.737188 0.013690 BFGS: 1896 16:30:55 -11.737451 0.000007 BFGS: 1897 16:30:55 -11.737188 0.013690 BFGS: 1898 16:30:55 -11.737451 0.000007 BFGS: 1899 16:30:55 -11.737188 0.013690 BFGS: 1900 16:30:55 -11.737451 0.000007 BFGS: 1901 16:30:55 -11.737451 0.000007 BFGS: 1902 16:30:55 -11.737451 0.000007 BFGS: 1903 16:30:55 -11.737451 0.000007 BFGS: 1904 16:30:55 -11.737451 0.000007 BFGS: 1905 16:30:55 -11.737451 0.000007 BFGS: 1906 16:30:55 -11.737451 0.000007 BFGS: 1907 16:30:55 -11.737451 0.000007 BFGS: 1908 16:30:55 -11.737188 0.013388 BFGS: 1909 16:30:55 -11.737451 0.000007 BFGS: 1910 16:30:55 -11.737188 0.013388 BFGS: 1911 16:30:55 -11.737451 0.000007 BFGS: 1912 16:30:55 -11.737188 0.013388 BFGS: 1913 16:30:55 -11.737188 0.013690 BFGS: 1914 16:30:55 -11.737451 0.000007 BFGS: 1915 16:30:55 -11.737451 0.000007 BFGS: 1916 16:30:55 -11.737188 0.013690 BFGS: 1917 16:30:55 -11.737451 0.000007 BFGS: 1918 16:30:55 -11.737188 0.013690 BFGS: 1919 16:30:55 -11.737451 0.000007 BFGS: 1920 16:30:55 -11.737451 0.000007 BFGS: 1921 16:30:55 -11.737451 0.000007 BFGS: 1922 16:30:55 -11.737188 0.013690 BFGS: 1923 16:30:55 -11.737451 0.000007 BFGS: 1924 16:30:55 -11.737188 0.013690 BFGS: 1925 16:30:55 -11.737188 0.013690 BFGS: 1926 16:30:55 -11.737451 0.000007 BFGS: 1927 16:30:55 -11.737451 0.000007 BFGS: 1928 16:30:55 -11.737188 0.013690 BFGS: 1929 16:30:55 -11.737451 0.000007 BFGS: 1930 16:30:55 -11.737188 0.013388 BFGS: 1931 16:30:55 -11.737451 0.000007 BFGS: 1932 16:30:55 -11.737451 0.000007 BFGS: 1933 16:30:55 -11.737451 0.000007 BFGS: 1934 16:30:55 -11.737451 0.000007 BFGS: 1935 16:30:55 -11.737451 0.000007 BFGS: 1936 16:30:55 -11.737451 0.000007 BFGS: 1937 16:30:55 -11.737451 0.000007 BFGS: 1938 16:30:55 -11.737451 0.000007 BFGS: 1939 16:30:55 -11.737188 0.013388 BFGS: 1940 16:30:55 -11.737451 0.000007 BFGS: 1941 16:30:55 -11.737451 0.000007 BFGS: 1942 16:30:55 -11.737188 0.013690 BFGS: 1943 16:30:55 -11.737451 0.000007 BFGS: 1944 16:30:55 -11.737188 0.013690 BFGS: 1945 16:30:55 -11.737451 0.000007 BFGS: 1946 16:30:55 -11.737188 0.013388 BFGS: 1947 16:30:55 -11.737188 0.013690 BFGS: 1948 16:30:55 -11.737188 0.013690 BFGS: 1949 16:30:55 -11.737188 0.013690 BFGS: 1950 16:30:55 -11.737451 0.000007 BFGS: 1951 16:30:55 -11.737451 0.000007 BFGS: 1952 16:30:55 -11.737188 0.013388 BFGS: 1953 16:30:55 -11.737451 0.000007 BFGS: 1954 16:30:55 -11.737451 0.000007 BFGS: 1955 16:30:55 -11.737188 0.013388 BFGS: 1956 16:30:55 -11.736953 0.021315 BFGS: 1957 16:30:55 -11.737451 0.000007 BFGS: 1958 16:30:55 -11.737188 0.013388 BFGS: 1959 16:30:55 -11.737451 0.000007 BFGS: 1960 16:30:55 -11.737451 0.000007 BFGS: 1961 16:30:55 -11.737188 0.013690 BFGS: 1962 16:30:55 -11.737451 0.000007 BFGS: 1963 16:30:55 -11.737451 0.000007 BFGS: 1964 16:30:55 -11.737451 0.000007 BFGS: 1965 16:30:55 -11.737451 0.000007 BFGS: 1966 16:30:55 -11.737451 0.000007 BFGS: 1967 16:30:55 -11.737451 0.000007 BFGS: 1968 16:30:55 -11.737188 0.013388 BFGS: 1969 16:30:55 -11.737188 0.013388 BFGS: 1970 16:30:55 -11.737451 0.000007 BFGS: 1971 16:30:55 -11.737451 0.000007 BFGS: 1972 16:30:55 -11.737451 0.000007 BFGS: 1973 16:30:55 -11.737451 0.000007 BFGS: 1974 16:30:55 -11.736953 0.021315 BFGS: 1975 16:30:55 -11.737188 0.013690 BFGS: 1976 16:30:55 -11.737451 0.000007 BFGS: 1977 16:30:55 -11.737451 0.000007 BFGS: 1978 16:30:55 -11.737188 0.013690 BFGS: 1979 16:30:55 -11.737451 0.000007 BFGS: 1980 16:30:55 -11.737451 0.000007 BFGS: 1981 16:30:55 -11.737451 0.000007 BFGS: 1982 16:30:55 -11.737451 0.000007 BFGS: 1983 16:30:55 -11.737451 0.000007 BFGS: 1984 16:30:55 -11.737451 0.000007 BFGS: 1985 16:30:55 -11.737451 0.000007 BFGS: 1986 16:30:55 -11.737451 0.000007 BFGS: 1987 16:30:55 -11.737451 0.000007 BFGS: 1988 16:30:55 -11.737451 0.000007 BFGS: 1989 16:30:55 -11.737188 0.013388 BFGS: 1990 16:30:55 -11.737188 0.013690 BFGS: 1991 16:30:55 -11.737188 0.013388 BFGS: 1992 16:30:55 -11.737451 0.000007 BFGS: 1993 16:30:55 -11.737451 0.000007 BFGS: 1994 16:30:55 -11.737451 0.000007 BFGS: 1995 16:30:55 -11.737451 0.000007 BFGS: 1996 16:30:55 -11.737188 0.013690 BFGS: 1997 16:30:55 -11.737451 0.000007 BFGS: 1998 16:30:55 -11.737451 0.000007 BFGS: 1999 16:30:55 -11.737451 0.000007 BFGS: 2000 16:30:55 -11.737451 0.000007 BFGS: 2001 16:30:55 -11.737188 0.013690 BFGS: 2002 16:30:55 -11.737451 0.000007 BFGS: 2003 16:30:55 -11.737188 0.013388 BFGS: 2004 16:30:55 -11.737188 0.013388 BFGS: 2005 16:30:55 -11.737451 0.000007 BFGS: 2006 16:30:55 -11.737451 0.000007 BFGS: 2007 16:30:55 -11.737451 0.000007 BFGS: 2008 16:30:55 -11.737451 0.000007 BFGS: 2009 16:30:55 -11.737451 0.000007 BFGS: 2010 16:30:55 -11.737451 0.000007 BFGS: 2011 16:30:55 -11.737451 0.000007 BFGS: 2012 16:30:55 -11.737451 0.000007 BFGS: 2013 16:30:55 -11.737451 0.000007 BFGS: 2014 16:30:55 -11.737188 0.013388 BFGS: 2015 16:30:55 -11.737451 0.000007 BFGS: 2016 16:30:55 -11.737451 0.000007 BFGS: 2017 16:30:55 -11.737451 0.000007 BFGS: 2018 16:30:55 -11.737451 0.000007 BFGS: 2019 16:30:55 -11.737451 0.000007 BFGS: 2020 16:30:55 -11.737188 0.013690 BFGS: 2021 16:30:55 -11.737451 0.000007 BFGS: 2022 16:30:55 -11.737451 0.000007 BFGS: 2023 16:30:55 -11.737451 0.000007 BFGS: 2024 16:30:55 -11.737188 0.013690 BFGS: 2025 16:30:55 -11.737451 0.000007 BFGS: 2026 16:30:55 -11.737451 0.000007 BFGS: 2027 16:30:55 -11.737451 0.000007 BFGS: 2028 16:30:55 -11.736953 0.021315 BFGS: 2029 16:30:55 -11.737451 0.000007 BFGS: 2030 16:30:55 -11.737188 0.013690 BFGS: 2031 16:30:55 -11.737451 0.000007 BFGS: 2032 16:30:55 -11.737451 0.000007 BFGS: 2033 16:30:55 -11.737188 0.013690 BFGS: 2034 16:30:55 -11.737451 0.000007 BFGS: 2035 16:30:55 -11.737451 0.000007 BFGS: 2036 16:30:55 -11.737451 0.000007 BFGS: 2037 16:30:55 -11.737451 0.000007 BFGS: 2038 16:30:56 -11.736953 0.021315 BFGS: 2039 16:30:56 -11.737451 0.000007 BFGS: 2040 16:30:56 -11.737451 0.000007 BFGS: 2041 16:30:56 -11.737188 0.013388 BFGS: 2042 16:30:56 -11.737188 0.013388 BFGS: 2043 16:30:56 -11.737451 0.000007 BFGS: 2044 16:30:56 -11.737451 0.000007 BFGS: 2045 16:30:56 -11.737451 0.000007 BFGS: 2046 16:30:56 -11.737451 0.000007 BFGS: 2047 16:30:56 -11.737451 0.000007 BFGS: 2048 16:30:56 -11.737188 0.013690 BFGS: 2049 16:30:56 -11.737451 0.000007 BFGS: 2050 16:30:56 -11.737451 0.000007 BFGS: 2051 16:30:56 -11.737451 0.000007 BFGS: 2052 16:30:56 -11.737451 0.000007 BFGS: 2053 16:30:56 -11.737451 0.000007 BFGS: 2054 16:30:56 -11.737188 0.013690 BFGS: 2055 16:30:56 -11.737451 0.000007 BFGS: 2056 16:30:56 -11.737451 0.000007 BFGS: 2057 16:30:56 -11.737451 0.000007 BFGS: 2058 16:30:56 -11.737451 0.000007 BFGS: 2059 16:30:56 -11.737451 0.000007 BFGS: 2060 16:30:56 -11.737451 0.000007 BFGS: 2061 16:30:56 -11.737451 0.000007 BFGS: 2062 16:30:56 -11.737451 0.000007 BFGS: 2063 16:30:56 -11.737451 0.000007 BFGS: 2064 16:30:56 -11.737451 0.000007 BFGS: 2065 16:30:56 -11.737451 0.000007 BFGS: 2066 16:30:56 -11.737451 0.000007 BFGS: 2067 16:30:56 -11.737451 0.000007 BFGS: 2068 16:30:56 -11.737451 0.000007 BFGS: 2069 16:30:56 -11.737451 0.000007 BFGS: 2070 16:30:56 -11.737451 0.000007 BFGS: 2071 16:30:56 -11.737451 0.000007 BFGS: 2072 16:30:56 -11.737451 0.000007 BFGS: 2073 16:30:56 -11.737451 0.000007 BFGS: 2074 16:30:56 -11.737451 0.000007 BFGS: 2075 16:30:56 -11.737451 0.000007 BFGS: 2076 16:30:56 -11.737188 0.013690 BFGS: 2077 16:30:56 -11.737451 0.000007 BFGS: 2078 16:30:56 -11.737451 0.000007 BFGS: 2079 16:30:56 -11.737188 0.013388 BFGS: 2080 16:30:56 -11.737451 0.000007 BFGS: 2081 16:30:56 -11.737451 0.000007 BFGS: 2082 16:30:56 -11.737451 0.000007 BFGS: 2083 16:30:56 -11.737451 0.000007 BFGS: 2084 16:30:56 -11.737451 0.000007 BFGS: 2085 16:30:56 -11.737451 0.000007 BFGS: 2086 16:30:57 -11.737451 0.000007 BFGS: 2087 16:30:57 -11.737451 0.000007 BFGS: 2088 16:30:57 -11.737188 0.013690 BFGS: 2089 16:30:57 -11.737451 0.000007 BFGS: 2090 16:30:57 -11.737451 0.000007 BFGS: 2091 16:30:57 -11.737188 0.013388 BFGS: 2092 16:30:57 -11.737451 0.000007 BFGS: 2093 16:30:57 -11.737451 0.000007 BFGS: 2094 16:30:57 -11.737451 0.000007 BFGS: 2095 16:30:57 -11.737451 0.000007 BFGS: 2096 16:30:57 -11.737451 0.000007 BFGS: 2097 16:30:57 -11.737451 0.000007 BFGS: 2098 16:30:57 -11.737188 0.013388 BFGS: 2099 16:30:57 -11.737451 0.000007 BFGS: 2100 16:30:57 -11.737451 0.000007 BFGS: 2101 16:30:57 -11.737451 0.000007 BFGS: 2102 16:30:57 -11.737188 0.013388 BFGS: 2103 16:30:57 -11.737451 0.000007 BFGS: 2104 16:30:57 -11.737451 0.000007 BFGS: 2105 16:30:57 -11.736953 0.021315 BFGS: 2106 16:30:57 -11.737451 0.000007 BFGS: 2107 16:30:57 -11.737188 0.013388 BFGS: 2108 16:30:57 -11.737451 0.000007 BFGS: 2109 16:30:57 -11.737451 0.000007 BFGS: 2110 16:30:57 -11.737188 0.013690 BFGS: 2111 16:30:57 -11.737188 0.013690 BFGS: 2112 16:30:57 -11.737451 0.000007 BFGS: 2113 16:30:57 -11.737451 0.000007 BFGS: 2114 16:30:57 -11.737188 0.013388 BFGS: 2115 16:30:57 -11.737451 0.000007 BFGS: 2116 16:30:57 -11.737451 0.000007 BFGS: 2117 16:30:57 -11.737188 0.013388 BFGS: 2118 16:30:57 -11.737188 0.013388 BFGS: 2119 16:30:57 -11.737188 0.013690 BFGS: 2120 16:30:57 -11.737451 0.000007 BFGS: 2121 16:30:57 -11.737451 0.000007 BFGS: 2122 16:30:57 -11.737451 0.000007 BFGS: 2123 16:30:57 -11.737188 0.013388 BFGS: 2124 16:30:58 -11.737188 0.013388 BFGS: 2125 16:30:58 -11.737451 0.000007 BFGS: 2126 16:30:58 -11.737451 0.000007 BFGS: 2127 16:30:58 -11.737451 0.000007 BFGS: 2128 16:30:58 -11.737451 0.000007 BFGS: 2129 16:30:58 -11.737451 0.000007 BFGS: 2130 16:30:58 -11.737451 0.000007 BFGS: 2131 16:30:58 -11.737188 0.013690 BFGS: 2132 16:30:58 -11.737451 0.000007 BFGS: 2133 16:30:58 -11.737451 0.000007 BFGS: 2134 16:30:58 -11.737451 0.000007 BFGS: 2135 16:30:58 -11.737451 0.000007 BFGS: 2136 16:30:58 -11.737451 0.000007 BFGS: 2137 16:30:58 -11.737451 0.000007 BFGS: 2138 16:30:58 -11.737451 0.000007 BFGS: 2139 16:30:58 -11.737188 0.013690 BFGS: 2140 16:30:58 -11.737451 0.000007 BFGS: 2141 16:30:58 -11.737451 0.000007 BFGS: 2142 16:30:58 -11.737188 0.013388 BFGS: 2143 16:30:58 -11.737451 0.000007 BFGS: 2144 16:30:58 -11.737451 0.000007 BFGS: 2145 16:30:58 -11.737451 0.000007 BFGS: 2146 16:30:58 -11.737451 0.000007 BFGS: 2147 16:30:58 -11.737188 0.013388 BFGS: 2148 16:30:58 -11.737451 0.000007 BFGS: 2149 16:30:58 -11.737451 0.000007 BFGS: 2150 16:30:58 -11.737451 0.000007 BFGS: 2151 16:30:58 -11.737188 0.013690 BFGS: 2152 16:30:58 -11.737451 0.000007 BFGS: 2153 16:30:58 -11.737451 0.000007 BFGS: 2154 16:30:58 -11.737451 0.000007 BFGS: 2155 16:30:58 -11.737188 0.013388 BFGS: 2156 16:30:58 -11.736953 0.021315 BFGS: 2157 16:30:58 -11.737451 0.000007 BFGS: 2158 16:30:58 -11.737451 0.000007 BFGS: 2159 16:30:58 -11.737188 0.013388 BFGS: 2160 16:30:58 -11.737451 0.000007 BFGS: 2161 16:30:58 -11.737451 0.000007 BFGS: 2162 16:30:58 -11.737451 0.000007 BFGS: 2163 16:30:58 -11.737451 0.000007 BFGS: 2164 16:30:58 -11.737451 0.000007 BFGS: 2165 16:30:58 -11.737188 0.013388 BFGS: 2166 16:30:58 -11.737451 0.000007 BFGS: 2167 16:30:58 -11.737188 0.013690 BFGS: 2168 16:30:58 -11.736953 0.021315 BFGS: 2169 16:30:58 -11.737451 0.000007 BFGS: 2170 16:30:58 -11.737451 0.000007 BFGS: 2171 16:30:58 -11.737188 0.013388 BFGS: 2172 16:30:58 -11.737451 0.000007 BFGS: 2173 16:30:58 -11.737451 0.000007 BFGS: 2174 16:30:59 -11.737451 0.000007 BFGS: 2175 16:30:59 -11.737451 0.000007 BFGS: 2176 16:30:59 -11.737451 0.000007 BFGS: 2177 16:30:59 -11.737188 0.013388 BFGS: 2178 16:30:59 -11.737451 0.000007 BFGS: 2179 16:30:59 -11.737188 0.013388 BFGS: 2180 16:30:59 -11.737451 0.000007 BFGS: 2181 16:30:59 -11.737451 0.000007 BFGS: 2182 16:30:59 -11.737188 0.013388 BFGS: 2183 16:30:59 -11.737451 0.000007 BFGS: 2184 16:30:59 -11.737188 0.013388 BFGS: 2185 16:30:59 -11.737451 0.000007 BFGS: 2186 16:30:59 -11.737451 0.000007 BFGS: 2187 16:30:59 -11.737451 0.000007 BFGS: 2188 16:30:59 -11.737188 0.013388 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BFGS: 8614 16:31:58 -11.737451 0.000007 BFGS: 8615 16:31:58 -11.737451 0.000007 BFGS: 8616 16:31:58 -11.736953 0.021315 BFGS: 8617 16:31:58 -11.736953 0.021315 BFGS: 8618 16:31:58 -11.737232 0.013395 BFGS: 8619 16:31:58 -11.737453 0.000058 BFGS: 8620 16:31:58 -11.737449 0.000028 BFGS: 8621 16:31:58 -11.737439 0.000018 BFGS: 8622 16:31:58 -11.737451 0.000007 BFGS: 8623 16:31:58 -11.737439 0.000010 BFGS: 8624 16:31:58 -11.737441 0.000051 BFGS: 8625 16:31:58 -11.737439 0.000129 BFGS: 8626 16:31:58 -11.737440 0.000177 BFGS: 8627 16:31:58 -11.737440 0.000018 BFGS: 8628 16:31:58 -11.737179 0.013385 BFGS: 8629 16:31:58 -11.737440 0.000010 BFGS: 8630 16:31:58 -11.737440 0.000010 BFGS: 8631 16:31:58 -11.737440 0.000010 BFGS: 8632 16:31:58 -11.737440 0.000010 BFGS: 8633 16:31:58 -11.737179 0.013688 BFGS: 8634 16:31:58 -11.737179 0.013688 BFGS: 8635 16:31:58 -11.737179 0.013385 BFGS: 8636 16:31:58 -11.737440 0.000010 BFGS: 8637 16:31:58 -11.737440 0.000010 BFGS: 8638 16:31:58 -11.737440 0.000010 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BFGS: 9889 16:32:14 -11.737451 0.000007 BFGS: 9890 16:32:14 -11.737451 0.000007 BFGS: 9891 16:32:14 -11.737451 0.000007 BFGS: 9892 16:32:14 -11.737451 0.000007 BFGS: 9893 16:32:14 -11.737188 0.013690 BFGS: 9894 16:32:14 -11.737451 0.000007 BFGS: 9895 16:32:14 -11.737188 0.013387 BFGS: 9896 16:32:14 -11.737188 0.013690 BFGS: 9897 16:32:14 -11.737451 0.000007 BFGS: 9898 16:32:14 -11.737451 0.000007 BFGS: 9899 16:32:14 -11.737451 0.000007 BFGS: 9900 16:32:14 -11.737451 0.000007 BFGS: 9901 16:32:14 -11.737451 0.000007 BFGS: 9902 16:32:14 -11.737451 0.000007 BFGS: 9903 16:32:14 -11.737188 0.013690 BFGS: 9904 16:32:14 -11.737451 0.000007 BFGS: 9905 16:32:14 -11.737451 0.000007 BFGS: 9906 16:32:14 -11.737451 0.000007 BFGS: 9907 16:32:14 -11.737451 0.000007 BFGS: 9908 16:32:14 -11.737451 0.000007 BFGS: 9909 16:32:14 -11.737451 0.000007 BFGS: 9910 16:32:14 -11.737451 0.000007 BFGS: 9911 16:32:14 -11.737451 0.000007 BFGS: 9912 16:32:14 -11.737451 0.000007 BFGS: 9913 16:32:14 -11.737451 0.000007 BFGS: 9914 16:32:14 -11.737451 0.000007 BFGS: 9915 16:32:14 -11.737188 0.013387 BFGS: 9916 16:32:14 -11.737451 0.000007 BFGS: 9917 16:32:14 -11.737188 0.013387 BFGS: 9918 16:32:14 -11.737188 0.013387 BFGS: 9919 16:32:14 -11.737451 0.000007 BFGS: 9920 16:32:14 -11.737451 0.000007 BFGS: 9921 16:32:14 -11.737451 0.000007 BFGS: 9922 16:32:14 -11.737451 0.000007 BFGS: 9923 16:32:14 -11.737451 0.000007 BFGS: 9924 16:32:14 -11.736953 0.021315 BFGS: 9925 16:32:14 -11.737451 0.000007 BFGS: 9926 16:32:14 -11.737188 0.013387 BFGS: 9927 16:32:14 -11.737451 0.000007 BFGS: 9928 16:32:14 -11.736953 0.021315 BFGS: 9929 16:32:14 -11.737451 0.000007 BFGS: 9930 16:32:14 -11.737451 0.000007 BFGS: 9931 16:32:14 -11.737451 0.000007 BFGS: 9932 16:32:14 -11.737451 0.000007 BFGS: 9933 16:32:14 -11.737451 0.000007 BFGS: 9934 16:32:14 -11.737451 0.000007 BFGS: 9935 16:32:14 -11.737451 0.000007 BFGS: 9936 16:32:14 -11.737451 0.000007 BFGS: 9937 16:32:14 -11.737451 0.000007 BFGS: 9938 16:32:15 -11.737451 0.000007 BFGS: 9939 16:32:15 -11.737451 0.000007 BFGS: 9940 16:32:15 -11.737451 0.000007 BFGS: 9941 16:32:15 -11.737451 0.000007 BFGS: 9942 16:32:15 -11.737451 0.000007 BFGS: 9943 16:32:15 -11.737188 0.013387 BFGS: 9944 16:32:15 -11.737188 0.013690 BFGS: 9945 16:32:15 -11.737451 0.000007 BFGS: 9946 16:32:15 -11.737451 0.000007 BFGS: 9947 16:32:15 -11.737451 0.000007 BFGS: 9948 16:32:15 -11.737188 0.013690 BFGS: 9949 16:32:15 -11.737451 0.000007 BFGS: 9950 16:32:15 -11.737451 0.000007 BFGS: 9951 16:32:15 -11.737188 0.013690 BFGS: 9952 16:32:15 -11.737451 0.000007 BFGS: 9953 16:32:15 -11.737188 0.013387 BFGS: 9954 16:32:15 -11.737451 0.000007 BFGS: 9955 16:32:15 -11.737451 0.000007 BFGS: 9956 16:32:15 -11.737451 0.000007 BFGS: 9957 16:32:15 -11.737451 0.000007 BFGS: 9958 16:32:15 -11.737188 0.013387 BFGS: 9959 16:32:15 -11.737451 0.000007 BFGS: 9960 16:32:15 -11.737451 0.000007 BFGS: 9961 16:32:15 -11.737451 0.000007 BFGS: 9962 16:32:15 -11.737451 0.000007 BFGS: 9963 16:32:15 -11.737451 0.000007 BFGS: 9964 16:32:15 -11.737451 0.000007 BFGS: 9965 16:32:15 -11.737451 0.000007 BFGS: 9966 16:32:15 -11.737451 0.000007 BFGS: 9967 16:32:15 -11.737451 0.000007 BFGS: 9968 16:32:15 -11.737451 0.000007 BFGS: 9969 16:32:15 -11.737188 0.013690 BFGS: 9970 16:32:15 -11.737188 0.013690 BFGS: 9971 16:32:15 -11.737451 0.000007 BFGS: 9972 16:32:15 -11.737188 0.013387 BFGS: 9973 16:32:15 -11.737188 0.013690 BFGS: 9974 16:32:15 -11.737451 0.000007 BFGS: 9975 16:32:15 -11.737451 0.000007 BFGS: 9976 16:32:15 -11.737451 0.000007 BFGS: 9977 16:32:15 -11.737451 0.000007 BFGS: 9978 16:32:15 -11.737451 0.000007 BFGS: 9979 16:32:15 -11.737451 0.000007 BFGS: 9980 16:32:15 -11.737188 0.013690 BFGS: 9981 16:32:15 -11.737451 0.000007 BFGS: 9982 16:32:15 -11.737451 0.000007 BFGS: 9983 16:32:15 -11.737451 0.000007 BFGS: 9984 16:32:15 -11.737451 0.000007 BFGS: 9985 16:32:15 -11.737188 0.013690 BFGS: 9986 16:32:15 -11.737451 0.000007 BFGS: 9987 16:32:15 -11.737451 0.000007 BFGS: 9988 16:32:15 -11.737188 0.013387 BFGS: 9989 16:32:15 -11.737451 0.000007 BFGS: 9990 16:32:15 -11.737451 0.000007 BFGS: 9991 16:32:15 -11.737451 0.000007 BFGS: 9992 16:32:15 -11.737451 0.000007 BFGS: 9993 16:32:15 -11.737451 0.000007 BFGS: 9994 16:32:15 -11.737451 0.000007 BFGS: 9995 16:32:15 -11.737451 0.000007 BFGS: 9996 16:32:15 -11.737188 0.013387 BFGS: 9997 16:32:15 -11.737451 0.000007 BFGS: 9998 16:32:15 -11.737188 0.013387 BFGS: 9999 16:32:15 -11.737188 0.013690 BFGS: 10000 16:32:15 -11.737188 0.013690 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 1.2772860396397557e-07 eV/Angstrom Maximum stress component: 0.0001137623658631432 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O'] basis = [[5.00000031e-01 1.04306014e-32 2.50000737e-01] [4.99999969e-01 0.00000000e+00 7.49999263e-01] [3.12353867e-08 5.00000000e-01 2.50000737e-01] [9.99999969e-01 5.00000000e-01 7.49999263e-01]] cellpar = Cell([[11.220780286519474, 7.855944891831124e-17, -2.6155340016881983], [2.1939777671553934e-17, 11.521677804545162, -6.820476257204836e-17], [-9.371342307889547, -1.071422324213615e-16, 10.549653642377102]]) forces = [[ 5.35002165e-08 9.46793702e-25 -1.27728604e-07] [-5.35002165e-08 -9.46793702e-25 1.27728604e-07] [ 5.35002165e-08 9.46793702e-25 -1.27728604e-07] [-5.35002165e-08 -9.46793702e-25 1.27728604e-07]] stress = [-1.13762366e-04 -1.10935605e-04 -1.13756466e-04 1.38719050e-20 5.54316377e-09 1.97427543e-23] energy per atom = -2.9342970206465084 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_mC4_12_i, while relaxed is A_cF4_225_a. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group. Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_mC4_12_i, while relaxed is A_cI2_229_a. Skipping parameter set 1. No parameter sets in this group successfully added a property instance. Skipping this group.