element(s): ['O', 'Si'] AFLOW prototype label: A2B_mC72_5_12c_ab5c Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y1', 'y2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['13.7426', '1.002605', '0.71075342', '89.8996', '0.71156954', '0.28756338', '0.25617484', '0.73251933', '0.23106435', '0.23531536', '0.56074042', '0.12381794', '0.76451479', '0.43851711', '0.62485211', '0.93875667', '0.23596385', '0.37578981', '0.060525646', '0.76404866', '0.8756396', '0.082452743', '0.65891552', '0.095317351', '0.91822479', '0.34117668', '0.59537201', '0.34205783', '0.58297604', '0.34701327', '0.65845888', '0.41729957', '0.84606861', '0.232347', '0.74379602', '0.98082004', '0.7676371', '0.25583288', '0.47998259', '0.74384278', '0.2681329', '0.73036111', '0.71153792', '0.50047257', '0.75024911', '0.17378943', '0.79913936', '0.85728546', '0.82678334', '0.20134132', '0.35751208', '0.79986798', '0.3255678', '0.60703473', '0.20053519', '0.6739935', '0.10833149'] model name: Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[2.4382516e-01 2.3251933e-01 7.6893565e-01] [2.6468464e-01 6.0740420e-02 8.7618206e-01] [7.3548521e-01 9.3851711e-01 3.7514789e-01] [5.6124333e-01 7.3596385e-01 6.2421019e-01] [4.3947435e-01 2.6404866e-01 1.2436040e-01] [4.1754726e-01 1.5891552e-01 9.0468265e-01] [5.8177521e-01 8.4117668e-01 4.0462799e-01] [1.5794217e-01 8.2976040e-02 6.5298673e-01] [8.4154112e-01 9.1729957e-01 1.5393139e-01] [2.6765300e-01 2.4379602e-01 1.9179960e-02] [7.3236290e-01 7.5583288e-01 5.2001741e-01] [7.5615722e-01 7.6813290e-01 2.6963889e-01] [0.0000000e+00 7.1156954e-01 0.0000000e+00] [0.0000000e+00 2.8756338e-01 5.0000000e-01] [7.8846208e-01 4.7257000e-04 2.4975089e-01] [3.2621057e-01 2.9913936e-01 1.4271454e-01] [6.7321666e-01 7.0134132e-01 6.4248792e-01] [7.0013202e-01 8.2556780e-01 3.9296527e-01] [2.9946481e-01 1.7399350e-01 8.9166851e-01]] spacegroup = 5 cell = [[13.7426, 0, 0], [0, 13.7784, 0], [0.017115859954477, 0, 9.767585003845]] ========================================= Step Time Energy fmax BFGS: 0 23:24:48 -461.826362 1.209488 BFGS: 1 23:24:49 -462.386198 0.977053 BFGS: 2 23:24:49 -463.293436 0.490952 BFGS: 3 23:24:49 -463.393711 0.411780 BFGS: 4 23:24:49 -463.423947 0.403707 BFGS: 5 23:24:49 -463.515076 0.399751 BFGS: 6 23:24:49 -463.571603 0.401378 BFGS: 7 23:24:49 -463.639736 0.378997 BFGS: 8 23:24:49 -463.699635 0.361185 BFGS: 9 23:24:49 -463.752449 0.339476 BFGS: 10 23:24:49 -463.800400 0.314100 BFGS: 11 23:24:50 -463.847503 0.284916 BFGS: 12 23:24:50 -463.895113 0.286327 BFGS: 13 23:24:50 -463.941744 0.299681 BFGS: 14 23:24:50 -463.990353 0.299043 BFGS: 15 23:24:50 -464.037380 0.294727 BFGS: 16 23:24:50 -464.094389 1.114729 BFGS: 17 23:24:50 -464.143796 1.659600 BFGS: 18 23:24:50 -464.378493 1.557859 BFGS: 19 23:24:50 -462.746521 74.109918 BFGS: 20 23:24:51 -464.443128 1.369172 BFGS: 21 23:24:51 -464.291470 23.827809 BFGS: 22 23:24:51 -464.478565 1.777673 BFGS: 23 23:24:51 -464.504297 2.115202 BFGS: 24 23:24:51 -464.646849 3.098739 BFGS: 25 23:24:51 -464.643171 5.844405 BFGS: 26 23:24:52 -464.814138 1.395881 BFGS: 27 23:24:52 -464.838813 2.221924 BFGS: 28 23:24:52 -464.803309 7.564049 BFGS: 29 23:24:52 -464.892145 2.052399 BFGS: 30 23:24:53 -458.949867 53.432768 BFGS: 31 23:24:53 -464.902387 2.329189 BFGS: 32 23:24:55 -464.927312 2.650998 BFGS: 33 23:24:55 -464.965003 4.796073 BFGS: 34 23:24:57 -464.995979 3.583655 BFGS: 35 23:24:57 -465.022339 2.440106 BFGS: 36 23:24:57 -465.015897 5.743889 BFGS: 37 23:24:58 -465.043171 0.487673 BFGS: 38 23:24:58 -465.048309 0.121039 BFGS: 39 23:24:59 -465.064131 1.338701 BFGS: 40 23:25:00 -465.076048 1.554008 BFGS: 41 23:25:01 -465.102937 1.944448 BFGS: 42 23:25:02 -465.145002 2.430724 BFGS: 43 23:25:02 -465.191445 2.582491 BFGS: 44 23:25:03 -465.247123 2.504096 BFGS: 45 23:25:04 -465.323180 2.949161 BFGS: 46 23:25:05 -465.289889 25.535187 BFGS: 47 23:25:06 -465.522939 4.302726 BFGS: 48 23:25:07 -465.601352 3.773662 BFGS: 49 23:25:08 -465.642671 3.272758 BFGS: 50 23:25:10 -465.677950 3.637757 BFGS: 51 23:25:11 -465.712407 1.327084 BFGS: 52 23:25:12 -465.757534 1.162022 BFGS: 53 23:25:13 -465.798193 1.178916 BFGS: 54 23:25:13 -465.823710 1.317468 BFGS: 55 23:25:14 -465.850906 1.170255 BFGS: 56 23:25:15 -465.883091 1.333872 BFGS: 57 23:25:16 -465.917073 1.178347 BFGS: 58 23:25:17 -465.946036 1.107558 BFGS: 59 23:25:18 -465.973709 0.904608 BFGS: 60 23:25:20 -465.995162 0.957483 BFGS: 61 23:25:20 -466.020081 1.622802 BFGS: 62 23:25:21 -466.035894 0.883681 BFGS: 63 23:25:21 -466.060966 1.095080 BFGS: 64 23:25:23 -466.086916 0.902626 BFGS: 65 23:25:24 -466.117232 0.997502 BFGS: 66 23:25:25 -466.151333 1.565807 BFGS: 67 23:25:25 -463.149694 91.617995 BFGS: 68 23:25:26 -466.055018 8.667872 BFGS: 69 23:25:27 -466.091720 3.954779 BFGS: 70 23:25:27 -466.157306 3.181293 BFGS: 71 23:25:28 -466.221858 3.191887 BFGS: 72 23:25:29 -466.287156 3.631546 BFGS: 73 23:25:31 -466.375589 3.626775 BFGS: 74 23:25:32 -466.408787 4.842644 BFGS: 75 23:25:33 -466.451905 1.804718 BFGS: 76 23:25:34 -466.495385 1.434481 BFGS: 77 23:25:35 -466.538625 1.382450 BFGS: 78 23:25:35 -466.572629 1.442257 BFGS: 79 23:25:35 -466.603401 1.736047 BFGS: 80 23:25:36 -466.632059 1.985313 BFGS: 81 23:25:37 -466.660341 2.115701 BFGS: 82 23:25:37 -466.688324 2.168889 BFGS: 83 23:25:38 -466.716830 2.169168 BFGS: 84 23:25:39 -466.744247 2.145943 BFGS: 85 23:25:41 -466.771839 2.152765 BFGS: 86 23:25:42 -466.798891 2.162818 BFGS: 87 23:25:43 -466.825760 2.141523 BFGS: 88 23:25:43 -466.852130 2.137619 BFGS: 89 23:25:44 -466.878436 2.096577 BFGS: 90 23:25:45 -466.904104 2.093811 BFGS: 91 23:25:46 -466.929926 2.031848 BFGS: 92 23:25:46 -466.954762 2.045542 BFGS: 93 23:25:47 -466.980126 1.946033 BFGS: 94 23:25:48 -467.004182 1.971193 BFGS: 95 23:25:49 -467.028213 1.908291 BFGS: 96 23:25:49 -467.051921 1.898191 BFGS: 97 23:25:50 -467.075855 1.866829 BFGS: 98 23:25:51 -467.099061 1.859899 BFGS: 99 23:25:52 -467.122604 1.832572 BFGS: 100 23:25:53 -467.145672 1.817707 BFGS: 101 23:25:54 -467.168827 1.800685 BFGS: 102 23:25:55 -467.191670 1.785957 BFGS: 103 23:25:56 -467.213818 1.777140 BFGS: 104 23:25:57 -467.236431 1.763126 BFGS: 105 23:25:58 -467.259039 1.762202 BFGS: 106 23:25:58 -467.281417 1.750820 BFGS: 107 23:25:59 -467.303794 1.745365 BFGS: 108 23:26:01 -467.325954 1.741507 BFGS: 109 23:26:02 -467.348114 1.747557 BFGS: 110 23:26:03 -467.370293 1.747000 BFGS: 111 23:26:04 -467.392623 1.749889 BFGS: 112 23:26:05 -467.415141 1.749809 BFGS: 113 23:26:06 -467.437979 1.753321 BFGS: 114 23:26:07 -467.460514 1.759269 BFGS: 115 23:26:07 -467.484140 1.760933 BFGS: 116 23:26:08 -467.509547 1.777701 BFGS: 117 23:26:09 -467.537232 1.780900 BFGS: 118 23:26:10 -467.562340 1.834808 BFGS: 119 23:26:11 -467.586443 1.642277 BFGS: 120 23:26:11 -467.612436 1.385857 BFGS: 121 23:26:12 -467.636542 1.524510 BFGS: 122 23:26:13 -467.661004 1.721222 BFGS: 123 23:26:14 -467.683321 1.945635 BFGS: 124 23:26:15 -467.706987 2.066109 BFGS: 125 23:26:16 -467.728440 2.280028 BFGS: 126 23:26:18 -467.751469 2.450331 BFGS: 127 23:26:19 -467.774402 2.729447 BFGS: 128 23:26:20 -467.796391 3.108222 BFGS: 129 23:26:21 -467.818997 3.134038 BFGS: 130 23:26:22 -467.843285 3.012960 BFGS: 131 23:26:23 -467.866122 2.392499 BFGS: 132 23:26:24 -467.894133 3.276660 BFGS: 133 23:26:26 -467.950480 2.133389 BFGS: 134 23:26:27 -467.999369 2.703008 BFGS: 135 23:26:28 -468.040951 2.474786 BFGS: 136 23:26:29 -468.078217 2.105371 BFGS: 137 23:26:30 -468.111671 1.783865 BFGS: 138 23:26:31 -468.141383 1.554334 BFGS: 139 23:26:32 -468.169011 1.490366 BFGS: 140 23:26:33 -468.194175 1.413088 BFGS: 141 23:26:34 -468.218120 1.280153 BFGS: 142 23:26:36 -468.239894 1.195593 BFGS: 143 23:26:37 -468.260468 1.100836 BFGS: 144 23:26:38 -468.280715 1.022262 BFGS: 145 23:26:40 -468.299509 0.950635 BFGS: 146 23:26:41 -468.317466 0.895340 BFGS: 147 23:26:42 -468.334436 0.938558 BFGS: 148 23:26:43 -468.351493 1.013635 BFGS: 149 23:26:43 -468.368078 1.052862 BFGS: 150 23:26:44 -468.385032 1.121120 BFGS: 151 23:26:45 -468.400536 1.167914 BFGS: 152 23:26:46 -468.416467 1.208872 BFGS: 153 23:26:47 -468.432277 1.250080 BFGS: 154 23:26:49 -468.448014 1.299117 BFGS: 155 23:26:50 -468.463700 1.323591 BFGS: 156 23:26:52 -468.479680 1.391203 BFGS: 157 23:26:53 -468.496076 1.430687 BFGS: 158 23:26:55 -468.510931 1.365145 BFGS: 159 23:26:56 -468.526399 1.366021 BFGS: 160 23:26:57 -468.542067 1.362784 BFGS: 161 23:26:58 -468.558777 1.366662 BFGS: 162 23:26:58 -468.577010 1.375330 BFGS: 163 23:26:59 -468.597287 1.388648 BFGS: 164 23:27:00 -468.617891 1.399190 BFGS: 165 23:27:02 -468.635028 1.358813 BFGS: 166 23:27:04 -468.658738 1.826920 BFGS: 167 23:27:05 -468.676868 1.829118 BFGS: 168 23:27:07 -468.693888 1.913875 BFGS: 169 23:27:08 -468.710152 1.882505 BFGS: 170 23:27:10 -468.725863 1.928921 BFGS: 171 23:27:11 -468.741072 1.889998 BFGS: 172 23:27:13 -468.755907 1.917317 BFGS: 173 23:27:14 -468.770352 1.878225 BFGS: 174 23:27:16 -468.784551 1.893497 BFGS: 175 23:27:17 -468.798346 1.856987 BFGS: 176 23:27:18 -468.811855 1.863115 BFGS: 177 23:27:20 -468.825045 1.829787 BFGS: 178 23:27:21 -468.837902 1.829527 BFGS: 179 23:27:23 -468.850408 1.801403 BFGS: 180 23:27:24 -468.862490 1.798263 BFGS: 181 23:27:25 -468.874213 1.788519 BFGS: 182 23:27:26 -468.886230 1.811552 BFGS: 183 23:27:27 -468.898839 1.825015 BFGS: 184 23:27:28 -468.912162 1.859765 BFGS: 185 23:27:29 -468.926550 1.870231 BFGS: 186 23:27:30 -468.942092 1.915327 BFGS: 187 23:27:31 -468.958693 1.959384 BFGS: 188 23:27:31 -468.975483 2.011399 BFGS: 189 23:27:32 -468.993003 2.162239 BFGS: 190 23:27:33 -469.010381 2.400210 BFGS: 191 23:27:34 -469.027268 2.438793 BFGS: 192 23:27:34 -469.043505 2.643900 BFGS: 193 23:27:35 -469.056934 3.286564 BFGS: 194 23:27:36 -469.012227 5.351664 BFGS: 195 23:27:38 -469.063468 2.187914 BFGS: 196 23:27:38 -468.918059 23.180853 BFGS: 197 23:27:39 -469.078190 4.301909 BFGS: 198 23:27:40 -469.105066 2.866951 BFGS: 199 23:27:40 -469.130310 1.964353 BFGS: 200 23:27:42 -469.156249 2.932752 BFGS: 201 23:27:43 -469.177816 3.637512 BFGS: 202 23:27:44 -469.202181 3.070707 BFGS: 203 23:27:45 -469.224189 2.817989 BFGS: 204 23:27:46 -469.242100 2.566630 BFGS: 205 23:27:48 -469.257796 2.320306 BFGS: 206 23:27:49 -469.273387 2.087421 BFGS: 207 23:27:51 -469.289100 2.152997 BFGS: 208 23:27:52 -469.305888 2.392324 BFGS: 209 23:27:53 -469.323333 2.476649 BFGS: 210 23:27:54 -469.341874 2.556244 BFGS: 211 23:27:55 -469.360642 2.475486 BFGS: 212 23:27:56 -469.379875 2.404854 BFGS: 213 23:27:57 -469.398508 2.190628 BFGS: 214 23:27:59 -469.416800 2.020703 BFGS: 215 23:28:00 -469.433196 1.756320 BFGS: 216 23:28:01 -469.449783 1.593705 BFGS: 217 23:28:03 -469.465069 1.416144 BFGS: 218 23:28:04 -469.480277 1.478122 BFGS: 219 23:28:05 -469.494357 1.624405 BFGS: 220 23:28:07 -469.507788 1.862582 BFGS: 221 23:28:08 -469.520529 1.907483 BFGS: 222 23:28:09 -469.533581 2.035977 BFGS: 223 23:28:10 -469.546275 2.022918 BFGS: 224 23:28:11 -469.559013 2.035505 BFGS: 225 23:28:11 -469.571581 1.968401 BFGS: 226 23:28:12 -469.584052 1.906267 BFGS: 227 23:28:12 -469.596676 1.821621 BFGS: 228 23:28:13 -469.614284 1.674315 BFGS: 229 23:28:13 -469.638734 2.514773 BFGS: 230 23:28:13 -469.644444 2.225498 BFGS: 231 23:28:15 -469.659344 2.160273 BFGS: 232 23:28:16 -469.623270 10.182326 BFGS: 233 23:28:17 -469.677180 1.284497 BFGS: 234 23:28:18 -469.688139 1.288742 BFGS: 235 23:28:19 -469.709015 1.387996 BFGS: 236 23:28:21 -469.718288 1.415264 BFGS: 237 23:28:22 -469.738748 0.890550 BFGS: 238 23:28:23 -469.748519 1.018235 BFGS: 239 23:28:23 -469.763071 1.020874 BFGS: 240 23:28:24 -469.775484 1.105251 BFGS: 241 23:28:25 -469.786958 1.097334 BFGS: 242 23:28:26 -469.797887 1.025065 BFGS: 243 23:28:27 -469.808354 0.916177 BFGS: 244 23:28:29 -469.818280 0.903737 BFGS: 245 23:28:30 -469.827709 0.912969 BFGS: 246 23:28:31 -469.836700 0.919781 BFGS: 247 23:28:32 -469.845320 0.923434 BFGS: 248 23:28:33 -469.853640 0.923587 BFGS: 249 23:28:35 -469.861727 0.920094 BFGS: 250 23:28:36 -469.869643 0.912989 BFGS: 251 23:28:36 -469.877447 0.902405 BFGS: 252 23:28:38 -469.885192 0.888514 BFGS: 253 23:28:39 -469.892925 0.871517 BFGS: 254 23:28:41 -469.900683 0.859977 BFGS: 255 23:28:42 -469.908499 0.941909 BFGS: 256 23:28:44 -469.916324 1.016379 BFGS: 257 23:28:44 -469.923968 1.086369 BFGS: 258 23:28:46 -469.932132 1.150029 BFGS: 259 23:28:47 -469.940047 1.200406 BFGS: 260 23:28:47 -469.948127 1.240017 BFGS: 261 23:28:48 -469.956703 1.262976 BFGS: 262 23:28:49 -469.966018 1.286494 BFGS: 263 23:28:49 -469.974601 1.283047 BFGS: 264 23:28:50 -469.983186 1.271258 BFGS: 265 23:28:51 -469.991797 1.245068 BFGS: 266 23:28:52 -470.000437 1.205619 BFGS: 267 23:28:53 -470.009110 1.151324 BFGS: 268 23:28:54 -470.017787 1.081291 BFGS: 269 23:28:55 -470.026105 0.996162 BFGS: 270 23:28:56 -470.034436 0.899517 BFGS: 271 23:28:58 -470.042652 0.945328 BFGS: 272 23:28:59 -470.050809 0.984046 BFGS: 273 23:29:01 -470.059309 1.016697 BFGS: 274 23:29:03 -470.067301 1.039011 BFGS: 275 23:29:04 -470.075435 1.059425 BFGS: 276 23:29:06 -470.083225 1.065084 BFGS: 277 23:29:07 -470.092364 1.060364 BFGS: 278 23:29:09 -470.101041 1.039926 BFGS: 279 23:29:10 -470.110253 1.006157 BFGS: 280 23:29:12 -470.119858 0.956297 BFGS: 281 23:29:13 -470.128810 0.897960 BFGS: 282 23:29:15 -470.137931 0.875372 BFGS: 283 23:29:17 -470.147157 0.961843 BFGS: 284 23:29:18 -470.156284 1.029436 BFGS: 285 23:29:19 -470.165309 1.069781 BFGS: 286 23:29:20 -470.173563 1.082790 BFGS: 287 23:29:22 -470.181901 1.056419 BFGS: 288 23:29:23 -470.189694 1.007230 BFGS: 289 23:29:24 -470.196881 0.917012 BFGS: 290 23:29:25 -470.204003 0.846299 BFGS: 291 23:29:26 -470.211124 0.831467 BFGS: 292 23:29:26 -470.216336 0.885234 BFGS: 293 23:29:28 -470.222379 0.871691 BFGS: 294 23:29:28 -470.228682 0.734527 BFGS: 295 23:29:29 -470.234947 0.509120 BFGS: 296 23:29:30 -470.241700 0.619316 BFGS: 297 23:29:31 -470.247201 0.614958 BFGS: 298 23:29:33 -470.251846 0.478905 BFGS: 299 23:29:34 -470.255130 0.479375 BFGS: 300 23:29:35 -470.258702 0.564065 BFGS: 301 23:29:35 -470.261609 0.543921 BFGS: 302 23:29:36 -470.265426 0.589259 BFGS: 303 23:29:37 -470.268888 0.576010 BFGS: 304 23:29:38 -470.273151 0.705600 BFGS: 305 23:29:39 -470.277242 0.794477 BFGS: 306 23:29:40 -470.282863 0.930363 BFGS: 307 23:29:40 -470.288115 1.064284 BFGS: 308 23:29:41 -470.294709 1.176323 BFGS: 309 23:29:42 -470.302232 1.212335 BFGS: 310 23:29:43 -470.309970 1.148960 BFGS: 311 23:29:44 -470.318978 1.056705 BFGS: 312 23:29:46 -470.327681 0.791086 BFGS: 313 23:29:47 -470.337857 0.654863 BFGS: 314 23:29:48 -470.348913 0.477935 BFGS: 315 23:29:49 -470.359589 0.576042 BFGS: 316 23:29:50 -470.370149 0.905527 BFGS: 317 23:29:51 -470.378271 1.066157 BFGS: 318 23:29:53 -470.387160 1.173237 BFGS: 319 23:29:53 -470.394077 1.226775 BFGS: 320 23:29:54 -470.400080 1.227343 BFGS: 321 23:29:57 -470.405512 1.205700 BFGS: 322 23:29:58 -470.410581 1.157622 BFGS: 323 23:30:01 -470.415337 1.096680 BFGS: 324 23:30:01 -470.419858 1.022265 BFGS: 325 23:30:02 -470.424145 0.944250 BFGS: 326 23:30:03 -470.428290 0.865210 BFGS: 327 23:30:04 -470.432187 0.809434 BFGS: 328 23:30:04 -470.435902 0.776814 BFGS: 329 23:30:05 -470.450728 0.919038 BFGS: 330 23:30:06 -468.058712 114.423937 BFGS: 331 23:30:07 -470.429320 3.853266 BFGS: 332 23:30:09 -470.450739 0.584102 BFGS: 333 23:30:10 -470.455687 1.022612 BFGS: 334 23:30:11 -470.460643 1.093030 BFGS: 335 23:30:13 -470.465065 1.217058 BFGS: 336 23:30:14 -470.470474 1.453478 BFGS: 337 23:30:16 -470.478676 1.521299 BFGS: 338 23:30:18 -470.486779 1.763906 BFGS: 339 23:30:19 -470.495034 1.540064 BFGS: 340 23:30:20 -470.498547 0.935133 BFGS: 341 23:30:21 -470.514048 0.937943 BFGS: 342 23:30:22 -470.521730 0.853993 BFGS: 343 23:30:23 -470.528315 0.698720 BFGS: 344 23:30:24 -470.532797 0.462148 BFGS: 345 23:30:24 -470.536509 0.334827 BFGS: 346 23:30:25 -470.537319 0.327005 BFGS: 347 23:30:26 -470.537944 0.472163 BFGS: 348 23:30:26 -470.538536 0.525371 BFGS: 349 23:30:27 -470.539639 0.547876 BFGS: 350 23:30:27 -470.540079 0.490287 BFGS: 351 23:30:28 -470.540923 0.351479 BFGS: 352 23:30:30 -470.541325 0.336125 BFGS: 353 23:30:31 -470.541371 0.369928 BFGS: 354 23:30:32 -470.541240 0.365372 BFGS: 355 23:30:33 -470.541475 0.375321 BFGS: 356 23:30:34 -470.541838 0.344069 BFGS: 357 23:30:36 -470.543105 0.361395 BFGS: 358 23:30:37 -470.544537 0.351231 BFGS: 359 23:30:38 -470.545631 0.334052 BFGS: 360 23:30:40 -470.546331 0.303662 BFGS: 361 23:30:42 -470.546656 0.288943 BFGS: 362 23:30:43 -470.546760 0.279846 BFGS: 363 23:30:44 -470.546795 0.288062 BFGS: 364 23:30:45 -470.546928 0.289003 BFGS: 365 23:30:46 -470.547276 0.300922 BFGS: 366 23:30:47 -470.547879 0.309349 BFGS: 367 23:30:47 -470.548721 0.323146 BFGS: 368 23:30:48 -470.549745 0.318960 BFGS: 369 23:30:49 -470.550581 0.281623 BFGS: 370 23:30:50 -470.551515 0.225818 BFGS: 371 23:30:51 -470.552279 0.226302 BFGS: 372 23:30:52 -470.552793 0.257465 BFGS: 373 23:30:54 -470.553741 0.278251 BFGS: 374 23:30:55 -470.554844 0.276064 BFGS: 375 23:30:56 -470.555642 0.270298 BFGS: 376 23:30:57 -470.556285 0.323526 BFGS: 377 23:30:58 -470.556798 0.325927 BFGS: 378 23:30:58 -470.557327 0.274013 BFGS: 379 23:31:00 -470.557658 0.216019 BFGS: 380 23:31:01 -470.558227 0.196607 BFGS: 381 23:31:02 -470.558335 0.200673 BFGS: 382 23:31:03 -470.558547 0.207234 BFGS: 383 23:31:04 -470.559125 0.217085 BFGS: 384 23:31:06 -470.559917 0.251374 BFGS: 385 23:31:07 -470.560979 0.356282 BFGS: 386 23:31:09 -470.561899 0.368895 BFGS: 387 23:31:10 -470.562802 0.416306 BFGS: 388 23:31:11 -470.562826 0.431569 BFGS: 389 23:31:12 -470.563572 0.412514 BFGS: 390 23:31:13 -470.564732 0.364902 BFGS: 391 23:31:14 -470.565505 0.380788 BFGS: 392 23:31:14 -470.567077 0.370747 BFGS: 393 23:31:15 -470.568831 0.359308 BFGS: 394 23:31:16 -470.570737 0.347256 BFGS: 395 23:31:17 -470.572735 0.334723 BFGS: 396 23:31:18 -470.574779 0.322346 BFGS: 397 23:31:19 -470.576835 0.345652 BFGS: 398 23:31:20 -470.578880 0.366915 BFGS: 399 23:31:20 -470.580899 0.383386 BFGS: 400 23:31:21 -470.582884 0.395075 BFGS: 401 23:31:21 -470.584829 0.402060 BFGS: 402 23:31:22 -470.586779 0.403528 BFGS: 403 23:31:22 -470.588255 0.404073 BFGS: 404 23:31:22 -470.589975 0.400927 BFGS: 405 23:31:23 -470.591830 0.398253 BFGS: 406 23:31:24 -470.594126 0.391630 BFGS: 407 23:31:25 -470.595871 0.381977 BFGS: 408 23:31:26 -470.597637 0.372162 BFGS: 409 23:31:28 -470.599449 0.361766 BFGS: 410 23:31:29 -470.601289 0.349655 BFGS: 411 23:31:29 -470.603162 0.352148 BFGS: 412 23:31:29 -470.605070 0.359505 BFGS: 413 23:31:30 -470.607016 0.365952 BFGS: 414 23:31:31 -470.609002 0.371512 BFGS: 415 23:31:32 -470.611027 0.376193 BFGS: 416 23:31:33 -470.613090 0.380012 BFGS: 417 23:31:34 -470.615189 0.382991 BFGS: 418 23:31:36 -470.617322 0.385153 BFGS: 419 23:31:36 -470.619487 0.386522 BFGS: 420 23:31:38 -470.621681 0.387127 BFGS: 421 23:31:39 -470.623899 0.386997 BFGS: 422 23:31:40 -470.626141 0.386164 BFGS: 423 23:31:41 -470.628401 0.384659 BFGS: 424 23:31:42 -470.630678 0.382514 BFGS: 425 23:31:44 -470.632967 0.379763 BFGS: 426 23:31:46 -470.635267 0.376439 BFGS: 427 23:31:48 -470.637573 0.372575 BFGS: 428 23:31:49 -470.639882 0.368204 BFGS: 429 23:31:50 -470.642193 0.363361 BFGS: 430 23:31:51 -470.644503 0.358061 BFGS: 431 23:31:52 -470.646808 0.352406 BFGS: 432 23:31:53 -470.649107 0.346366 BFGS: 433 23:31:54 -470.651398 0.339966 BFGS: 434 23:31:55 -470.653673 0.333250 BFGS: 435 23:31:57 -470.655907 0.324475 BFGS: 436 23:31:58 -470.658115 0.316043 BFGS: 437 23:32:00 -470.660232 0.307423 BFGS: 438 23:32:01 -470.662347 0.300838 BFGS: 439 23:32:03 -470.663944 0.291096 BFGS: 440 23:32:05 -470.666015 0.291144 BFGS: 441 23:32:07 -470.668084 0.292685 BFGS: 442 23:32:09 -470.670130 0.294192 BFGS: 443 23:32:09 -470.672160 0.295558 BFGS: 444 23:32:10 -470.674171 0.296680 BFGS: 445 23:32:12 -470.676176 0.297474 BFGS: 446 23:32:13 -470.678352 0.296364 BFGS: 447 23:32:14 -470.680473 0.296294 BFGS: 448 23:32:14 -470.682553 0.295859 BFGS: 449 23:32:15 -470.684925 0.294442 BFGS: 450 23:32:17 -470.686927 0.281754 BFGS: 451 23:32:19 -470.688972 0.288408 BFGS: 452 23:32:20 -470.690899 0.276880 BFGS: 453 23:32:22 -470.693413 0.278789 BFGS: 454 23:32:24 -470.695230 0.280740 BFGS: 455 23:32:25 -470.697112 0.273007 BFGS: 456 23:32:26 -470.698964 0.275656 BFGS: 457 23:32:26 -470.700811 0.275853 BFGS: 458 23:32:27 -470.702653 0.283938 BFGS: 459 23:32:29 -470.704490 0.287651 BFGS: 460 23:32:30 -470.706322 0.294127 BFGS: 461 23:32:31 -470.708136 0.301390 BFGS: 462 23:32:32 -470.709983 0.307390 BFGS: 463 23:32:32 -470.711821 0.311271 BFGS: 464 23:32:32 -470.713677 0.316212 BFGS: 465 23:32:32 -470.715538 0.318732 BFGS: 466 23:32:33 -470.717389 0.322324 BFGS: 467 23:32:33 -470.719187 0.322137 BFGS: 468 23:32:33 -470.720954 0.330398 BFGS: 469 23:32:33 -470.722784 0.331023 BFGS: 470 23:32:33 -470.724616 0.335717 BFGS: 471 23:32:33 -470.726469 0.335856 BFGS: 472 23:32:33 -470.728324 0.338649 BFGS: 473 23:32:34 -470.730187 0.338160 BFGS: 474 23:32:34 -470.732056 0.339524 BFGS: 475 23:32:35 -470.733930 0.338415 BFGS: 476 23:32:36 -470.735811 0.338684 BFGS: 477 23:32:37 -470.737697 0.337084 BFGS: 478 23:32:39 -470.739589 0.336520 BFGS: 479 23:32:41 -470.741484 0.334488 BFGS: 480 23:32:42 -470.743383 0.333295 BFGS: 481 23:32:43 -470.745286 0.330943 BFGS: 482 23:32:44 -470.747189 0.329295 BFGS: 483 23:32:44 -470.749095 0.326748 BFGS: 484 23:32:45 -470.750997 0.324798 BFGS: 485 23:32:47 -470.752901 0.322190 BFGS: 486 23:32:48 -470.754798 0.320078 BFGS: 487 23:32:49 -470.756694 0.317546 BFGS: 488 23:32:49 -470.758578 0.315389 BFGS: 489 23:32:50 -470.760444 0.313071 BFGS: 490 23:32:51 -470.762347 0.320927 BFGS: 491 23:32:52 -470.764193 0.317052 BFGS: 492 23:32:53 -470.766089 0.316294 BFGS: 493 23:32:54 -470.768259 0.314213 BFGS: 494 23:32:54 -470.770195 0.314210 BFGS: 495 23:32:55 -470.771973 0.313004 BFGS: 496 23:32:55 -470.773767 0.311091 BFGS: 497 23:32:55 -470.775516 0.309275 BFGS: 498 23:32:56 -470.777249 0.307117 BFGS: 499 23:32:57 -470.778936 0.305447 BFGS: 500 23:32:58 -470.780583 0.303217 BFGS: 501 23:33:00 -470.782188 0.301717 BFGS: 502 23:33:01 -470.783953 0.299099 BFGS: 503 23:33:03 -470.785807 0.297249 BFGS: 504 23:33:05 -470.787168 0.291960 BFGS: 505 23:33:07 -470.788498 0.289076 BFGS: 506 23:33:09 -470.789711 0.295846 BFGS: 507 23:33:11 -470.790723 0.291588 BFGS: 508 23:33:12 -470.791658 0.293178 BFGS: 509 23:33:13 -470.792326 0.294772 BFGS: 510 23:33:14 -470.792988 0.283004 BFGS: 511 23:33:15 -470.793250 0.291606 BFGS: 512 23:33:16 -470.793479 0.255933 BFGS: 513 23:33:18 -470.793600 0.283284 BFGS: 514 23:33:19 -470.794117 0.239972 BFGS: 515 23:33:21 -470.794059 0.213145 BFGS: 516 23:33:22 -470.794435 0.150364 BFGS: 517 23:33:23 -470.794672 0.105897 BFGS: 518 23:33:24 -470.794831 0.108276 BFGS: 519 23:33:25 -470.795172 0.109042 BFGS: 520 23:33:27 -470.795265 0.115461 BFGS: 521 23:33:28 -470.795296 0.110505 BFGS: 522 23:33:30 -470.795398 0.105758 BFGS: 523 23:33:31 -470.795564 0.092781 BFGS: 524 23:33:31 -470.795694 0.090988 BFGS: 525 23:33:33 -470.795842 0.086069 BFGS: 526 23:33:34 -470.796029 0.086075 BFGS: 527 23:33:35 -470.796129 0.086077 BFGS: 528 23:33:36 -470.796183 0.087301 BFGS: 529 23:33:37 -470.796225 0.084688 BFGS: 530 23:33:38 -470.796234 0.084657 BFGS: 531 23:33:39 -470.796256 0.084845 BFGS: 532 23:33:41 -470.796273 0.088687 BFGS: 533 23:33:42 -470.796289 0.094535 BFGS: 534 23:33:44 -470.796303 0.092012 BFGS: 535 23:33:46 -470.796313 0.091847 BFGS: 536 23:33:47 -470.796326 0.089190 BFGS: 537 23:33:48 -470.796339 0.091099 BFGS: 538 23:33:49 -470.796360 0.091907 BFGS: 539 23:33:51 -470.796386 0.093006 BFGS: 540 23:33:53 -470.796413 0.092694 BFGS: 541 23:33:54 -470.796432 0.092977 BFGS: 542 23:33:55 -470.796436 0.092664 BFGS: 543 23:33:56 -470.796427 0.092160 BFGS: 544 23:33:57 -470.796416 0.092199 BFGS: 545 23:33:57 -470.796409 0.092241 BFGS: 546 23:33:58 -470.796412 0.091955 BFGS: 547 23:33:59 -470.796424 0.091388 BFGS: 548 23:34:00 -470.796440 0.090732 BFGS: 549 23:34:00 -470.796455 0.090456 BFGS: 550 23:34:01 -470.796467 0.090784 BFGS: 551 23:34:02 -470.796472 0.090900 BFGS: 552 23:34:03 -470.796467 0.091561 BFGS: 553 23:34:04 -470.796458 0.092686 BFGS: 554 23:34:05 -470.796448 0.093655 BFGS: 555 23:34:06 -470.796440 0.094362 BFGS: 556 23:34:07 -470.796435 0.094642 BFGS: 557 23:34:08 -470.796435 0.094437 BFGS: 558 23:34:09 -470.796436 0.093890 BFGS: 559 23:34:11 -470.796438 0.093203 BFGS: 560 23:34:13 -470.796439 0.092523 BFGS: 561 23:34:14 -470.796438 0.091976 BFGS: 562 23:34:16 -470.796436 0.091655 BFGS: 563 23:34:18 -470.796434 0.091555 BFGS: 564 23:34:20 -470.796433 0.091575 BFGS: 565 23:34:21 -470.796432 0.091613 BFGS: 566 23:34:23 -470.796432 0.091618 BFGS: 567 23:34:24 -470.796432 0.091577 BFGS: 568 23:34:25 -470.796431 0.091500 BFGS: 569 23:34:26 -470.796431 0.091433 BFGS: 570 23:34:27 -470.796430 0.091401 BFGS: 571 23:34:28 -470.796430 0.091404 BFGS: 572 23:34:29 -470.796429 0.091435 BFGS: 573 23:34:31 -470.796429 0.091484 BFGS: 574 23:34:33 -470.796429 0.091537 BFGS: 575 23:34:34 -470.796430 0.091576 BFGS: 576 23:34:35 -470.796430 0.091603 BFGS: 577 23:34:36 -470.796430 0.091619 BFGS: 578 23:34:37 -470.796430 0.091624 BFGS: 579 23:34:39 -470.796430 0.091624 BFGS: 580 23:34:41 -470.796430 0.091625 BFGS: 581 23:34:43 -470.796430 0.091622 BFGS: 582 23:34:44 -470.796430 0.091619 BFGS: 583 23:34:46 -470.796429 0.091615 BFGS: 584 23:34:47 -470.796429 0.091609 BFGS: 585 23:34:48 -470.796430 0.091604 BFGS: 586 23:34:51 -470.796430 0.091599 BFGS: 587 23:34:53 -470.796430 0.091598 BFGS: 588 23:34:54 -470.796430 0.091595 BFGS: 589 23:34:56 -470.796430 0.091594 BFGS: 590 23:34:57 -470.796431 0.091574 BFGS: 591 23:34:59 -470.796430 0.091608 BFGS: 592 23:35:00 -470.796430 0.091586 BFGS: 593 23:35:02 -470.796430 0.091592 BFGS: 594 23:35:03 -470.796430 0.091595 BFGS: 595 23:35:05 -470.796430 0.091595 BFGS: 596 23:35:06 -470.796430 0.091588 BFGS: 597 23:35:07 -470.796430 0.091587 BFGS: 598 23:35:08 -470.796430 0.091582 BFGS: 599 23:35:10 -470.796430 0.091575 BFGS: 600 23:35:11 -470.796430 0.091546 BFGS: 601 23:35:13 -470.796430 0.091524 BFGS: 602 23:35:14 -470.796430 0.091515 BFGS: 603 23:35:15 -470.796429 0.091515 BFGS: 604 23:35:15 -470.796427 0.091544 BFGS: 605 23:35:17 -470.796426 0.091579 BFGS: 606 23:35:18 -470.796426 0.091612 BFGS: 607 23:35:19 -470.796426 0.091619 BFGS: 608 23:35:21 -470.796427 0.091607 BFGS: 609 23:35:22 -470.796427 0.091597 BFGS: 610 23:35:23 -470.796427 0.091594 BFGS: 611 23:35:24 -470.796427 0.091598 BFGS: 612 23:35:25 -470.796427 0.091601 BFGS: 613 23:35:26 -470.796427 0.091606 BFGS: 614 23:35:27 -470.796427 0.091609 BFGS: 615 23:35:28 -470.796427 0.091620 BFGS: 616 23:35:29 -470.796427 0.091624 BFGS: 617 23:35:30 -470.796427 0.091639 BFGS: 618 23:35:31 -470.796427 0.091650 BFGS: 619 23:35:32 -470.796427 0.091670 BFGS: 620 23:35:33 -470.796427 0.091688 BFGS: 621 23:35:35 -470.796427 0.091712 BFGS: 622 23:35:36 -470.796428 0.091732 BFGS: 623 23:35:37 -470.796428 0.091747 BFGS: 624 23:35:39 -470.796428 0.091750 BFGS: 625 23:35:40 -470.796429 0.091718 BFGS: 626 23:35:41 -470.796430 0.091628 BFGS: 627 23:35:43 -470.796432 0.091467 BFGS: 628 23:35:44 -470.796433 0.091279 BFGS: 629 23:35:45 -470.796435 0.091161 BFGS: 630 23:35:46 -470.796436 0.091305 BFGS: 631 23:35:48 -470.796436 0.091502 BFGS: 632 23:35:49 -470.796436 0.091580 BFGS: 633 23:35:50 -470.796436 0.091605 BFGS: 634 23:35:51 -470.796436 0.091619 BFGS: 635 23:35:52 -470.796436 0.091621 BFGS: 636 23:35:54 -470.796436 0.091631 BFGS: 637 23:35:55 -470.796436 0.091634 BFGS: 638 23:35:56 -470.796435 0.091618 BFGS: 639 23:35:58 -470.796436 0.091618 BFGS: 640 23:35:59 -470.796436 0.091618 BFGS: 641 23:36:00 -470.796436 0.091618 BFGS: 642 23:36:02 -470.796436 0.091620 BFGS: 643 23:36:03 -470.796436 0.091620 BFGS: 644 23:36:04 -470.796436 0.091618 BFGS: 645 23:36:05 -470.796436 0.091620 BFGS: 646 23:36:06 -470.796436 0.091605 BFGS: 647 23:36:07 -470.796436 0.091613 BFGS: 648 23:36:08 -470.796436 0.091617 BFGS: 649 23:36:09 -470.796436 0.091702 BFGS: 650 23:36:09 -470.796436 0.091629 BFGS: 651 23:36:10 -470.796436 0.091628 BFGS: 652 23:36:11 -470.796437 0.091560 BFGS: 653 23:36:12 -470.796437 0.091549 BFGS: 654 23:36:13 -470.796437 0.091599 BFGS: 655 23:36:14 -470.796435 0.091650 BFGS: 656 23:36:15 -470.796435 0.091673 BFGS: 657 23:36:17 -470.796434 0.091692 BFGS: 658 23:36:18 -470.796434 0.091702 BFGS: 659 23:36:19 -470.796434 0.091714 BFGS: 660 23:36:20 -470.796434 0.091714 BFGS: 661 23:36:21 -470.796434 0.091713 BFGS: 662 23:36:23 -470.796434 0.091714 BFGS: 663 23:36:24 -470.797470 0.106627 BFGS: 664 23:36:25 -470.796435 0.091732 BFGS: 665 23:36:26 -470.796435 0.091725 BFGS: 666 23:36:26 -470.796434 0.091715 BFGS: 667 23:36:27 -470.796434 0.091718 BFGS: 668 23:36:28 -470.796435 0.091726 BFGS: 669 23:36:28 -470.796435 0.091721 BFGS: 670 23:36:29 -470.796435 0.091719 BFGS: 671 23:36:30 -470.796435 0.091699 BFGS: 672 23:36:32 -470.796435 0.091709 BFGS: 673 23:36:33 -470.796434 0.091715 BFGS: 674 23:36:34 -470.796434 0.091736 BFGS: 675 23:36:35 -470.796435 0.091752 BFGS: 676 23:36:36 -470.796435 0.091777 BFGS: 677 23:36:37 -470.796436 0.091789 BFGS: 678 23:36:39 -470.796436 0.091767 BFGS: 679 23:36:40 -470.796437 0.091683 BFGS: 680 23:36:41 -470.796436 0.091625 BFGS: 681 23:36:43 -470.796435 0.091547 BFGS: 682 23:36:44 -470.796433 0.091510 BFGS: 683 23:36:45 -470.796432 0.091542 BFGS: 684 23:36:45 -470.796432 0.091598 BFGS: 685 23:36:46 -470.796432 0.091633 BFGS: 686 23:36:47 -470.796433 0.091668 BFGS: 687 23:36:48 -470.796433 0.091709 BFGS: 688 23:36:49 -470.796434 0.091758 BFGS: 689 23:36:50 -470.796436 0.091830 BFGS: 690 23:36:51 -470.796439 0.091910 BFGS: 691 23:36:52 -470.796443 0.092024 BFGS: 692 23:36:53 -470.796449 0.092160 BFGS: 693 23:36:54 -470.796458 0.092339 BFGS: 694 23:36:55 -470.796471 0.092574 BFGS: 695 23:36:55 -470.796493 0.092892 BFGS: 696 23:36:56 -470.796528 0.093333 BFGS: 697 23:36:57 -470.796585 0.093988 BFGS: 698 23:36:58 -470.796682 0.095256 BFGS: 699 23:36:59 -470.796851 0.105550 BFGS: 700 23:37:01 -470.797161 0.129399 BFGS: 701 23:37:02 -470.797755 0.177279 BFGS: 702 23:37:03 -470.798969 0.265920 BFGS: 703 23:37:04 -470.801501 0.406451 BFGS: 704 23:37:06 -470.804389 0.517461 BFGS: 705 23:37:07 -470.807310 0.587239 BFGS: 706 23:37:08 -470.810330 0.636062 BFGS: 707 23:37:10 -470.813454 0.671243 BFGS: 708 23:37:11 -470.816672 0.696868 BFGS: 709 23:37:12 -470.819975 0.715259 BFGS: 710 23:37:14 -470.823351 0.727919 BFGS: 711 23:37:15 -470.826790 0.735900 BFGS: 712 23:37:16 -470.830278 0.739981 BFGS: 713 23:37:17 -470.833806 0.740771 BFGS: 714 23:37:18 -470.837362 0.738755 BFGS: 715 23:37:19 -470.840936 0.734367 BFGS: 716 23:37:20 -470.844515 0.727856 BFGS: 717 23:37:21 -470.848358 0.720259 BFGS: 718 23:37:21 -470.852172 0.711470 BFGS: 719 23:37:22 -470.855887 0.700667 BFGS: 720 23:37:23 -470.859567 0.688798 BFGS: 721 23:37:24 -470.863159 0.675628 BFGS: 722 23:37:25 -470.866704 0.661581 BFGS: 723 23:37:26 -470.870154 0.646555 BFGS: 724 23:37:26 -470.873550 0.630870 BFGS: 725 23:37:27 -470.876834 0.614393 BFGS: 726 23:37:28 -470.880059 0.597391 BFGS: 727 23:37:29 -470.882831 0.576108 BFGS: 728 23:37:30 -470.885715 0.556804 BFGS: 729 23:37:31 -470.888194 0.536946 BFGS: 730 23:37:33 -470.891052 0.518984 BFGS: 731 23:37:34 -470.893130 0.498526 BFGS: 732 23:37:36 -470.896223 0.482591 BFGS: 733 23:37:38 -470.897915 0.461518 BFGS: 734 23:37:40 -470.900670 0.444873 BFGS: 735 23:37:42 -470.902355 0.424545 BFGS: 736 23:37:43 -470.904101 0.405454 BFGS: 737 23:37:45 -470.905710 0.362719 BFGS: 738 23:37:47 -470.907484 0.352655 BFGS: 739 23:37:49 -470.908387 0.338001 BFGS: 740 23:37:50 -470.910177 0.302986 BFGS: 741 23:37:52 -470.911262 0.292150 BFGS: 742 23:37:53 -470.912058 0.264920 BFGS: 743 23:37:55 -470.913693 0.252102 BFGS: 744 23:37:56 -470.914166 0.232106 BFGS: 745 23:37:57 -470.915345 0.209181 BFGS: 746 23:37:57 -470.916020 0.192289 BFGS: 747 23:37:58 -470.916719 0.171081 BFGS: 748 23:37:59 -470.917226 0.155974 BFGS: 749 23:38:00 -470.918253 0.133608 BFGS: 750 23:38:01 -470.918614 0.118929 BFGS: 751 23:38:02 -470.918884 0.090736 BFGS: 752 23:38:02 -470.919020 0.077998 BFGS: 753 23:38:03 -470.919106 0.055369 BFGS: 754 23:38:03 -470.919105 0.045069 BFGS: 755 23:38:04 -470.919037 0.023584 BFGS: 756 23:38:06 -470.918928 0.020613 BFGS: 757 23:38:07 -470.918877 0.024492 BFGS: 758 23:38:08 -470.918910 0.011188 BFGS: 759 23:38:09 -470.918947 0.007948 BFGS: 760 23:38:10 -470.918969 0.004123 BFGS: 761 23:38:11 -470.918961 0.003503 BFGS: 762 23:38:12 -470.918950 0.003507 BFGS: 763 23:38:13 -470.918941 0.001798 BFGS: 764 23:38:14 -470.918935 0.001908 BFGS: 765 23:38:15 -470.918937 0.000813 BFGS: 766 23:38:16 -470.918938 0.000462 BFGS: 767 23:38:17 -470.918938 0.000355 BFGS: 768 23:38:17 -470.918938 0.000110 BFGS: 769 23:38:19 -470.918938 0.000079 BFGS: 770 23:38:20 -470.918938 0.000040 BFGS: 771 23:38:22 -470.918938 0.000027 BFGS: 772 23:38:23 -470.918938 0.000013 BFGS: 773 23:38:25 -470.918938 0.000010 BFGS: 774 23:38:27 -470.918938 0.000012 BFGS: 775 23:38:29 -470.918938 0.000011 BFGS: 776 23:38:31 -470.918938 0.000006 BFGS: 777 23:38:32 -470.918938 0.000002 BFGS: 778 23:38:33 -470.918938 0.000001 BFGS: 779 23:38:35 -470.918938 0.000000 BFGS: 780 23:38:37 -470.918938 0.000000 BFGS: 781 23:38:38 -470.918938 0.000000 BFGS: 782 23:38:40 -470.918938 0.000000 BFGS: 783 23:38:41 -470.918938 0.000000 BFGS: 784 23:38:43 -470.918938 0.000000 BFGS: 785 23:38:44 -470.918938 0.000000 BFGS: 786 23:38:46 -470.918938 0.000000 BFGS: 787 23:38:47 -470.918938 0.000000 BFGS: 788 23:38:47 -470.918938 0.000000 BFGS: 789 23:38:48 -470.918938 0.000000 BFGS: 790 23:38:49 -470.918938 0.000000 BFGS: 791 23:38:50 -470.918938 0.000000 BFGS: 792 23:38:51 -470.918938 0.000000 BFGS: 793 23:38:53 -470.918938 0.000000 Minimization converged after 793 steps. Maximum force component: 9.101095859886759e-09 eV/Angstrom Maximum stress component: 1.5900056302050993e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[2.92003115e-01 3.15637725e-01 5.85555289e-01] [7.07996885e-01 3.15637725e-01 4.14444711e-01] [7.92003115e-01 8.15637725e-01 5.85555289e-01] [2.07996885e-01 8.15637725e-01 4.14444711e-01] [2.41608142e-01 2.30083052e-01 8.47023351e-01] [7.58391858e-01 2.30083052e-01 1.52976649e-01] [7.41608142e-01 7.30083052e-01 8.47023351e-01] [2.58391858e-01 7.30083052e-01 1.52976649e-01] [7.60206813e-01 5.04640045e-02 3.52286976e-01] [2.39793187e-01 5.04640045e-02 6.47713024e-01] [2.60206813e-01 5.50464004e-01 3.52286976e-01] [7.39793187e-01 5.50464004e-01 6.47713024e-01] [5.89120414e-01 8.99614947e-01 6.01926094e-01] [4.10879586e-01 8.99614947e-01 3.98073906e-01] [8.91204136e-02 3.99614947e-01 6.01926094e-01] [9.10879586e-01 3.99614947e-01 3.98073906e-01] [4.10153888e-01 3.82621147e-01 1.01132358e-01] [5.89846112e-01 3.82621147e-01 8.98867642e-01] [9.10153888e-01 8.82621147e-01 1.01132358e-01] [8.98461119e-02 8.82621147e-01 8.98867642e-01] [4.36746299e-01 2.62667520e-01 8.49728414e-01] [5.63253701e-01 2.62667520e-01 1.50271586e-01] [9.36746299e-01 7.62667520e-01 8.49728414e-01] [6.32537012e-02 7.62667520e-01 1.50271586e-01] [5.64152415e-01 2.08684185e-02 3.51480993e-01] [4.35847585e-01 2.08684185e-02 6.48519007e-01] [6.41524149e-02 5.20868419e-01 3.51480993e-01] [9.35847585e-01 5.20868419e-01 6.48519007e-01] [1.19970429e-01 2.04342580e-01 5.99276906e-01] [8.80029571e-01 2.04342580e-01 4.00723094e-01] [6.19970429e-01 7.04342580e-01 5.99276906e-01] [3.80029571e-01 7.04342580e-01 4.00723094e-01] [8.79912780e-01 7.78240304e-02 1.00466496e-01] [1.20087220e-01 7.78240304e-02 8.99533504e-01] [3.79912780e-01 5.77824030e-01 1.00466496e-01] [6.20087220e-01 5.77824030e-01 8.99533504e-01] [3.26599855e-01 4.33184941e-01 8.36025792e-01] [6.73400145e-01 4.33184941e-01 1.63974208e-01] [8.26599855e-01 9.33184941e-01 8.36025792e-01] [1.73400145e-01 9.33184941e-01 1.63974208e-01] [6.73154605e-01 8.49452698e-01 3.36462669e-01] [3.26845395e-01 8.49452698e-01 6.63537331e-01] [1.73154605e-01 3.49452698e-01 3.36462669e-01] [8.26845395e-01 3.49452698e-01 6.63537331e-01] [7.08309546e-01 9.67857504e-01 8.66634853e-02] [2.91690454e-01 9.67857504e-01 9.13336515e-01] [2.08309546e-01 4.67857504e-01 8.66634853e-02] [7.91690454e-01 4.67857504e-01 9.13336515e-01] [2.26502412e-19 8.20270442e-01 1.00000000e+00] [5.00000000e-01 3.20270442e-01 1.00000000e+00] [0.00000000e+00 4.62205321e-01 5.00000000e-01] [5.00000000e-01 9.62205321e-01 5.00000000e-01] [8.22662411e-01 1.40250908e-01 2.51755799e-01] [1.77337589e-01 1.40250908e-01 7.48244201e-01] [3.22662411e-01 6.40250908e-01 2.51755799e-01] [6.77337589e-01 6.40250908e-01 7.48244201e-01] [3.31201100e-01 4.68217096e-01 2.61937100e-02] [6.68798900e-01 4.68217096e-01 9.73806290e-01] [8.31201100e-01 9.68217096e-01 2.61937100e-02] [1.68798900e-01 9.68217096e-01 9.73806290e-01] [6.68734351e-01 8.14415356e-01 5.26738042e-01] [3.31265649e-01 8.14415356e-01 4.73261958e-01] [1.68734351e-01 3.14415356e-01 5.26738042e-01] [8.31265649e-01 3.14415356e-01 4.73261958e-01] [6.73801669e-01 9.72212248e-01 2.77284979e-01] [3.26198331e-01 9.72212248e-01 7.22715021e-01] [1.73801669e-01 4.72212248e-01 2.77284979e-01] [8.26198331e-01 4.72212248e-01 7.22715021e-01] [3.27373690e-01 3.11037649e-01 7.75395867e-01] [6.72626310e-01 3.11037649e-01 2.24604133e-01] [8.27373690e-01 8.11037649e-01 7.75395867e-01] [1.72626310e-01 8.11037649e-01 2.24604133e-01]] cellpar = Cell([[12.695169523611199, 9.570749381850588e-18, -0.7101352998779473], [-5.168707713792248e-18, 12.743183235207692, -1.3279413080963796e-17], [0.4716701279195795, -5.6206688913956566e-18, 8.153554044888075]]) forces = [[ 2.26175862e-09 8.57167867e-10 -3.95855577e-09] [-2.26175862e-09 8.57167867e-10 3.95855577e-09] [ 2.26175862e-09 8.57167867e-10 -3.95855577e-09] [-2.26175862e-09 8.57167867e-10 3.95855577e-09] [-2.64959897e-10 9.89475444e-10 6.22273983e-09] [ 2.64959897e-10 9.89475444e-10 -6.22273983e-09] [-2.64959897e-10 9.89475444e-10 6.22273983e-09] [ 2.64959897e-10 9.89475444e-10 -6.22273983e-09] [ 1.36833340e-09 -1.62125012e-09 7.15557726e-09] [-1.36833340e-09 -1.62125012e-09 -7.15557726e-09] [ 1.36833340e-09 -1.62125012e-09 7.15557726e-09] [-1.36833340e-09 -1.62125012e-09 -7.15557726e-09] [ 1.69659263e-09 9.86246275e-10 6.42842808e-09] [-1.69659263e-09 9.86246275e-10 -6.42842808e-09] [ 1.69659263e-09 9.86246275e-10 6.42842808e-09] [-1.69659263e-09 9.86246275e-10 -6.42842808e-09] [-8.08054653e-10 -6.09279480e-10 6.41400725e-09] [ 8.08054653e-10 -6.09279480e-10 -6.41400725e-09] [-8.08054653e-10 -6.09279480e-10 6.41400725e-09] [ 8.08054653e-10 -6.09279480e-10 -6.41400725e-09] [-4.95574689e-12 -2.44940142e-09 -2.06367503e-09] [ 4.95574689e-12 -2.44940142e-09 2.06367503e-09] [-4.95574689e-12 -2.44940142e-09 -2.06367503e-09] [ 4.95574689e-12 -2.44940142e-09 2.06367503e-09] [-7.44463640e-10 2.24420367e-09 -1.32322848e-09] [ 7.44463640e-10 2.24420367e-09 1.32322848e-09] [-7.44463640e-10 2.24420367e-09 -1.32322848e-09] [ 7.44463640e-10 2.24420367e-09 1.32322848e-09] [-2.47423357e-09 -7.37687577e-10 -1.65420903e-09] [ 2.47423357e-09 -7.37687577e-10 1.65420903e-09] [-2.47423357e-09 -7.37687577e-10 -1.65420903e-09] [ 2.47423357e-09 -7.37687577e-10 1.65420903e-09] [ 2.69135806e-09 3.27482941e-10 -2.08549730e-09] [-2.69135806e-09 3.27482941e-10 2.08549730e-09] [ 2.69135806e-09 3.27482941e-10 -2.08549730e-09] [-2.69135806e-09 3.27482941e-10 2.08549730e-09] [-9.60963090e-10 3.07347609e-09 -2.11204151e-09] [ 9.60963090e-10 3.07347609e-09 2.11204151e-09] [-9.60963090e-10 3.07347609e-09 -2.11204151e-09] [ 9.60963090e-10 3.07347609e-09 2.11204151e-09] [ 1.05200066e-09 -2.76398269e-09 -2.77743685e-09] [-1.05200066e-09 -2.76398269e-09 2.77743685e-09] [ 1.05200066e-09 -2.76398269e-09 -2.77743685e-09] [-1.05200066e-09 -2.76398269e-09 2.77743685e-09] [-3.85872839e-09 -9.17199956e-10 -2.09920962e-09] [ 3.85872839e-09 -9.17199956e-10 2.09920962e-09] [-3.85872839e-09 -9.17199956e-10 -2.09920962e-09] [ 3.85872839e-09 -9.17199956e-10 2.09920962e-09] [ 1.50475502e-27 -3.70989617e-09 3.86600764e-27] [ 1.50475502e-27 -3.70989617e-09 3.86600764e-27] [-3.69145633e-27 9.10109586e-09 -9.48406761e-27] [-3.69145633e-27 9.10109586e-09 -9.48406761e-27] [ 1.76913255e-09 -4.15108122e-09 -3.31650289e-09] [-1.76913255e-09 -4.15108122e-09 3.31650289e-09] [ 1.76913255e-09 -4.15108122e-09 -3.31650289e-09] [-1.76913255e-09 -4.15108122e-09 3.31650289e-09] [-7.89397131e-10 1.34954968e-09 -2.84282021e-09] [ 7.89397131e-10 1.34954968e-09 2.84282021e-09] [-7.89397131e-10 1.34954968e-09 -2.84282021e-09] [ 7.89397131e-10 1.34954968e-09 2.84282021e-09] [ 4.12804656e-09 -1.98367038e-09 -2.46322164e-09] [-4.12804656e-09 -1.98367038e-09 2.46322164e-09] [ 4.12804656e-09 -1.98367038e-09 -2.46322164e-09] [-4.12804656e-09 -1.98367038e-09 2.46322164e-09] [-3.72606655e-09 -4.81464135e-10 1.04253771e-09] [ 3.72606655e-09 -4.81464135e-10 -1.04253771e-09] [-3.72606655e-09 -4.81464135e-10 1.04253771e-09] [ 3.72606655e-09 -4.81464135e-10 -1.04253771e-09] [ 3.09296983e-09 3.19183162e-09 2.48570160e-09] [-3.09296983e-09 3.19183162e-09 -2.48570160e-09] [ 3.09296983e-09 3.19183162e-09 2.48570160e-09] [-3.09296983e-09 3.19183162e-09 -2.48570160e-09]] stress = [-1.59000563e-10 -1.50356594e-10 -1.39809098e-10 -1.40857783e-30 -5.25534126e-12 -3.09155379e-30] energy per atom = -6.4445277082185495 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0