element(s): ['Fe', 'O'] AFLOW prototype label: A3B4_oP28_57_de_cde Parameter names: ['a', 'b/a', 'c/a', 'x1', 'x2', 'y2', 'x3', 'y3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.9511', '3.3136119', '3.3872793', '0.74902933', '0.74815718', '0.37033396', '0.24782972', '0.21387772', '0.24909619', '0.11833693', '0.075820916', '0.25046931', '0.47887918', '0.11305171'] model name: Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Fe', 'Fe', 'O', 'O', 'O'] representative atom coordinates = [[0.74815718 0.37033396 0.25 ] [0.24909619 0.11833693 0.07582092] [0.74902933 0.25 0. ] [0.24782972 0.21387772 0.25 ] [0.25046931 0.47887918 0.11305171]] spacegroup = 57 cell = [[2.9511, 0, 0], [0, 9.7788, 0], [0, 0, 9.9962]] ========================================= Step Time Energy fmax BFGS: 0 00:55:21 -129.690089 0.8995 BFGS: 1 00:55:21 -129.789704 0.8912 BFGS: 2 00:55:21 -130.065665 0.8607 BFGS: 3 00:55:21 -130.220495 0.8334 BFGS: 4 00:55:21 -130.304671 0.8124 BFGS: 5 00:55:21 -130.364554 0.7987 BFGS: 6 00:55:21 -130.426415 0.7910 BFGS: 7 00:55:21 -130.495024 0.7845 BFGS: 8 00:55:21 -130.569412 0.7767 BFGS: 9 00:55:21 -130.648173 0.7662 BFGS: 10 00:55:21 -130.730132 0.7519 BFGS: 11 00:55:21 -130.812765 0.7176 BFGS: 12 00:55:21 -130.898259 0.6952 BFGS: 13 00:55:21 -130.984416 0.7108 BFGS: 14 00:55:21 -131.070720 0.7176 BFGS: 15 00:55:21 -131.156808 0.7143 BFGS: 16 00:55:21 -131.242458 0.6994 BFGS: 17 00:55:21 -131.327511 0.6715 BFGS: 18 00:55:21 -131.411733 0.6288 BFGS: 19 00:55:22 -131.494606 0.5700 BFGS: 20 00:55:22 -131.573524 0.4875 BFGS: 21 00:55:22 -131.649780 0.4164 BFGS: 22 00:55:22 -131.718661 0.3408 BFGS: 23 00:55:22 -131.777913 0.3106 BFGS: 24 00:55:22 -131.825540 0.3225 BFGS: 25 00:55:22 -131.863410 0.2978 BFGS: 26 00:55:22 -131.892694 0.2791 BFGS: 27 00:55:22 -131.933263 0.2489 BFGS: 28 00:55:22 -131.970777 0.3271 BFGS: 29 00:55:22 -132.000050 0.3687 BFGS: 30 00:55:22 -132.027234 0.3394 BFGS: 31 00:55:22 -132.053706 0.2783 BFGS: 32 00:55:22 -132.078670 0.2141 BFGS: 33 00:55:22 -132.103104 0.2074 BFGS: 34 00:55:22 -132.125131 0.1986 BFGS: 35 00:55:22 -132.144704 0.1699 BFGS: 36 00:55:22 -132.159999 0.1811 BFGS: 37 00:55:23 -132.167910 0.1829 BFGS: 38 00:55:23 -132.180063 0.1821 BFGS: 39 00:55:23 -132.188303 0.1863 BFGS: 40 00:55:23 -132.196757 0.1827 BFGS: 41 00:55:23 -132.203792 0.1689 BFGS: 42 00:55:23 -132.212216 0.1590 BFGS: 43 00:55:23 -132.223436 0.1579 BFGS: 44 00:55:23 -132.232762 0.1693 BFGS: 45 00:55:23 -132.241051 0.1654 BFGS: 46 00:55:23 -132.246873 0.1770 BFGS: 47 00:55:23 -132.252052 0.1984 BFGS: 48 00:55:23 -132.259078 0.2221 BFGS: 49 00:55:23 -132.267664 0.2417 BFGS: 50 00:55:23 -132.278104 0.2588 BFGS: 51 00:55:23 -132.289605 0.2778 BFGS: 52 00:55:23 -132.301198 0.2888 BFGS: 53 00:55:23 -132.312944 0.2994 BFGS: 54 00:55:24 -132.324845 0.3099 BFGS: 55 00:55:24 -132.336665 0.3204 BFGS: 56 00:55:24 -132.348473 0.3308 BFGS: 57 00:55:24 -132.360278 0.3412 BFGS: 58 00:55:24 -132.372123 0.3517 BFGS: 59 00:55:24 -132.384035 0.3621 BFGS: 60 00:55:24 -132.396040 0.3724 BFGS: 61 00:55:24 -132.408156 0.3826 BFGS: 62 00:55:24 -132.420398 0.3926 BFGS: 63 00:55:24 -132.432775 0.4022 BFGS: 64 00:55:24 -132.445293 0.4115 BFGS: 65 00:55:24 -132.457954 0.4203 BFGS: 66 00:55:24 -132.470757 0.4284 BFGS: 67 00:55:24 -132.483521 0.4298 BFGS: 68 00:55:24 -132.497249 0.4367 BFGS: 69 00:55:24 -132.510419 0.4425 BFGS: 70 00:55:24 -132.523757 0.4474 BFGS: 71 00:55:25 -132.537034 0.4511 BFGS: 72 00:55:25 -132.550400 0.4539 BFGS: 73 00:55:25 -132.563704 0.4556 BFGS: 74 00:55:25 -132.576422 0.4543 BFGS: 75 00:55:25 -132.589834 0.4529 BFGS: 76 00:55:25 -132.603030 0.4508 BFGS: 77 00:55:25 -132.616512 0.4479 BFGS: 78 00:55:25 -132.629938 0.4441 BFGS: 79 00:55:25 -132.643515 0.4395 BFGS: 80 00:55:25 -132.657124 0.4339 BFGS: 81 00:55:25 -132.670883 0.4274 BFGS: 82 00:55:25 -132.684765 0.4264 BFGS: 83 00:55:25 -132.698865 0.4376 BFGS: 84 00:55:25 -132.713200 0.4486 BFGS: 85 00:55:25 -132.727868 0.4592 BFGS: 86 00:55:25 -132.742906 0.4696 BFGS: 87 00:55:25 -132.758215 0.4766 BFGS: 88 00:55:26 -132.772696 0.4879 BFGS: 89 00:55:26 -132.789860 0.4980 BFGS: 90 00:55:26 -132.806299 0.5072 BFGS: 91 00:55:26 -132.824634 0.5161 BFGS: 92 00:55:26 -132.843002 0.5241 BFGS: 93 00:55:26 -132.862946 0.5319 BFGS: 94 00:55:26 -132.883314 0.5388 BFGS: 95 00:55:26 -132.905784 0.5465 BFGS: 96 00:55:26 -132.927415 0.5518 BFGS: 97 00:55:26 -132.951491 0.5581 BFGS: 98 00:55:26 -132.975855 0.5601 BFGS: 99 00:55:26 -133.000076 0.5654 BFGS: 100 00:55:26 -133.032465 0.5700 BFGS: 101 00:55:26 -133.059737 0.5700 BFGS: 102 00:55:26 -133.089171 0.5725 BFGS: 103 00:55:26 -133.120292 0.5725 BFGS: 104 00:55:26 -133.153552 0.5713 BFGS: 105 00:55:26 -133.188809 0.5680 BFGS: 106 00:55:27 -133.226576 0.5626 BFGS: 107 00:55:27 -133.267201 0.5542 BFGS: 108 00:55:27 -133.311620 0.5417 BFGS: 109 00:55:27 -133.361214 0.5252 BFGS: 110 00:55:27 -133.410941 0.4949 BFGS: 111 00:55:27 -133.446061 0.4681 BFGS: 112 00:55:27 -133.472998 0.4441 BFGS: 113 00:55:27 -133.497469 0.4321 BFGS: 114 00:55:27 -133.520711 0.4234 BFGS: 115 00:55:27 -133.543225 0.4117 BFGS: 116 00:55:27 -133.565088 0.3976 BFGS: 117 00:55:27 -133.586353 0.3810 BFGS: 118 00:55:27 -133.607050 0.3624 BFGS: 119 00:55:27 -133.627273 0.3418 BFGS: 120 00:55:27 -133.647145 0.3194 BFGS: 121 00:55:27 -133.666829 0.2954 BFGS: 122 00:55:27 -133.686492 0.2700 BFGS: 123 00:55:28 -133.706149 0.2370 BFGS: 124 00:55:28 -133.724803 0.2136 BFGS: 125 00:55:28 -133.744698 0.2076 BFGS: 126 00:55:28 -133.763338 0.2006 BFGS: 127 00:55:28 -133.783490 0.1905 BFGS: 128 00:55:28 -133.800303 0.1900 BFGS: 129 00:55:28 -133.817822 0.1809 BFGS: 130 00:55:28 -133.835826 0.1584 BFGS: 131 00:55:28 -133.850677 0.1896 BFGS: 132 00:55:28 -133.863432 0.1827 BFGS: 133 00:55:28 -133.878137 0.1632 BFGS: 134 00:55:28 -133.888475 0.1544 BFGS: 135 00:55:28 -133.897035 0.1562 BFGS: 136 00:55:28 -133.904418 0.1466 BFGS: 137 00:55:28 -133.910652 0.1239 BFGS: 138 00:55:28 -133.914512 0.0915 BFGS: 139 00:55:28 -133.917141 0.0697 BFGS: 140 00:55:29 -133.920237 0.0442 BFGS: 141 00:55:29 -133.921657 0.0570 BFGS: 142 00:55:29 -133.923099 0.0280 BFGS: 143 00:55:29 -133.923485 0.0216 BFGS: 144 00:55:29 -133.923793 0.0191 BFGS: 145 00:55:29 -133.923859 0.0164 BFGS: 146 00:55:29 -133.924018 0.0080 BFGS: 147 00:55:29 -133.924045 0.0083 BFGS: 148 00:55:29 -133.924043 0.0088 BFGS: 149 00:55:29 -133.924041 0.0087 BFGS: 150 00:55:29 -133.924040 0.0194 BFGS: 151 00:55:29 -133.923936 0.0106 BFGS: 152 00:55:29 -133.924030 0.0087 BFGS: 153 00:55:29 -133.924035 0.0087 BFGS: 154 00:55:29 -133.924039 0.0086 BFGS: 155 00:55:29 -133.924035 0.0183 BFGS: 156 00:55:29 -133.924035 0.0087 BFGS: 157 00:55:30 -133.924031 0.0088 BFGS: 158 00:55:30 -133.924026 0.0178 BFGS: 159 00:55:30 -133.924023 0.0089 BFGS: 160 00:55:30 -133.924027 0.0089 BFGS: 161 00:55:30 -133.924032 0.0088 BFGS: 162 00:55:30 -133.924033 0.0179 BFGS: 163 00:55:30 -133.924032 0.0179 BFGS: 164 00:55:30 -133.924008 0.0092 BFGS: 165 00:55:30 -133.924021 0.0090 BFGS: 166 00:55:30 -133.924033 0.0087 BFGS: 167 00:55:30 -133.924034 0.0180 BFGS: 168 00:55:30 -133.924031 0.0087 BFGS: 169 00:55:30 -133.924030 0.0087 BFGS: 170 00:55:30 -133.924026 0.0180 BFGS: 171 00:55:30 -133.924029 0.0087 BFGS: 172 00:55:30 -133.924028 0.0180 BFGS: 173 00:55:31 -133.924028 0.0087 BFGS: 174 00:55:31 -133.924028 0.0180 BFGS: 175 00:55:31 -133.924028 0.0180 BFGS: 176 00:55:31 -133.924029 0.0088 BFGS: 177 00:55:31 -133.924029 0.0087 BFGS: 178 00:55:31 -133.924029 0.0087 BFGS: 179 00:55:31 -133.924029 0.0179 BFGS: 180 00:55:31 -133.924029 0.0087 BFGS: 181 00:55:31 -133.924029 0.0087 BFGS: 182 00:55:31 -133.924030 0.0179 BFGS: 183 00:55:31 -133.924030 0.0179 BFGS: 184 00:55:31 -133.924031 0.0087 BFGS: 185 00:55:31 -133.924031 0.0087 BFGS: 186 00:55:31 -133.924031 0.0088 BFGS: 187 00:55:31 -133.924031 0.0088 BFGS: 188 00:55:31 -133.924032 0.0088 BFGS: 189 00:55:32 -133.924034 0.0088 BFGS: 190 00:55:32 -133.924037 0.0087 BFGS: 191 00:55:32 -133.924043 0.0084 BFGS: 192 00:55:32 -133.924053 0.0077 BFGS: 193 00:55:32 -133.924062 0.0065 BFGS: 194 00:55:32 -133.924063 0.0056 BFGS: 195 00:55:32 -133.924062 0.0054 BFGS: 196 00:55:32 -133.924061 0.0055 BFGS: 197 00:55:32 -133.924061 0.0055 BFGS: 198 00:55:32 -133.924060 0.0055 BFGS: 199 00:55:32 -133.924059 0.0054 BFGS: 200 00:55:32 -133.924057 0.0054 BFGS: 201 00:55:32 -133.924055 0.0052 BFGS: 202 00:55:32 -133.924053 0.0049 BFGS: 203 00:55:32 -133.924050 0.0044 BFGS: 204 00:55:33 -133.924044 0.0132 BFGS: 205 00:55:33 -133.924056 0.0043 BFGS: 206 00:55:33 -133.924061 0.0043 BFGS: 207 00:55:33 -133.924062 0.0126 BFGS: 208 00:55:33 -133.924069 0.0123 BFGS: 209 00:55:33 -133.923933 0.0074 BFGS: 210 00:55:33 -133.924023 0.0060 BFGS: 211 00:55:33 -133.924058 0.0127 BFGS: 212 00:55:33 -133.924057 0.0053 BFGS: 213 00:55:33 -133.924071 0.0049 BFGS: 214 00:55:33 -133.924024 0.0144 BFGS: 215 00:55:33 -133.924069 0.0123 BFGS: 216 00:55:33 -133.923827 0.0121 BFGS: 217 00:55:33 -133.923995 0.0080 BFGS: 218 00:55:34 -133.924013 0.0148 BFGS: 219 00:55:34 -133.924052 0.0059 BFGS: 220 00:55:34 -133.924073 0.0048 BFGS: 221 00:55:34 -133.923992 0.0159 BFGS: 222 00:55:34 -133.924063 0.0127 BFGS: 223 00:55:34 -133.923801 0.0146 BFGS: 224 00:55:34 -133.923991 0.0088 BFGS: 225 00:55:34 -133.923987 0.0161 BFGS: 226 00:55:34 -133.924052 0.0059 BFGS: 227 00:55:34 -133.924074 0.0045 BFGS: 228 00:55:34 -133.923979 0.0165 BFGS: 229 00:55:34 -133.924058 0.0130 BFGS: 230 00:55:34 -133.923802 0.0154 BFGS: 231 00:55:34 -133.923992 0.0090 BFGS: 232 00:55:34 -133.923977 0.0166 BFGS: 233 00:55:35 -133.924052 0.0059 BFGS: 234 00:55:35 -133.924073 0.0121 BFGS: 235 00:55:35 -133.924059 0.0054 BFGS: 236 00:55:35 -133.924064 0.0051 BFGS: 237 00:55:35 -133.923973 0.0168 BFGS: 238 00:55:35 -133.924064 0.0126 BFGS: 239 00:55:35 -133.923807 0.0158 BFGS: 240 00:55:35 -133.923990 0.0092 BFGS: 241 00:55:35 -133.923973 0.0168 BFGS: 242 00:55:35 -133.924051 0.0059 BFGS: 243 00:55:35 -133.924073 0.0121 BFGS: 244 00:55:35 -133.924059 0.0054 BFGS: 245 00:55:35 -133.924063 0.0051 BFGS: 246 00:55:35 -133.923973 0.0168 BFGS: 247 00:55:35 -133.924064 0.0126 BFGS: 248 00:55:36 -133.923807 0.0158 BFGS: 249 00:55:36 -133.923990 0.0092 BFGS: 250 00:55:36 -133.923973 0.0168 BFGS: 251 00:55:36 -133.924051 0.0059 BFGS: 252 00:55:36 -133.924073 0.0044 BFGS: 253 00:55:36 -133.923973 0.0168 BFGS: 254 00:55:36 -133.924055 0.0131 BFGS: 255 00:55:36 -133.923806 0.0158 BFGS: 256 00:55:36 -133.923993 0.0091 BFGS: 257 00:55:36 -133.923973 0.0168 BFGS: 258 00:55:36 -133.924052 0.0059 BFGS: 259 00:55:36 -133.924072 0.0122 BFGS: 260 00:55:36 -133.924059 0.0054 BFGS: 261 00:55:36 -133.924064 0.0051 BFGS: 262 00:55:36 -133.923973 0.0168 BFGS: 263 00:55:37 -133.924063 0.0127 BFGS: 264 00:55:37 -133.923807 0.0158 BFGS: 265 00:55:37 -133.923990 0.0092 BFGS: 266 00:55:37 -133.923973 0.0168 BFGS: 267 00:55:37 -133.924051 0.0059 BFGS: 268 00:55:37 -133.924073 0.0121 BFGS: 269 00:55:37 -133.924059 0.0054 BFGS: 270 00:55:37 -133.924063 0.0051 BFGS: 271 00:55:37 -133.923973 0.0168 BFGS: 272 00:55:37 -133.924064 0.0126 BFGS: 273 00:55:37 -133.923806 0.0158 BFGS: 274 00:55:37 -133.923990 0.0092 BFGS: 275 00:55:37 -133.923973 0.0168 BFGS: 276 00:55:37 -133.924051 0.0059 BFGS: 277 00:55:37 -133.924073 0.0044 BFGS: 278 00:55:38 -133.923973 0.0168 BFGS: 279 00:55:38 -133.924055 0.0131 BFGS: 280 00:55:38 -133.923806 0.0158 BFGS: 281 00:55:38 -133.923993 0.0091 BFGS: 282 00:55:38 -133.923973 0.0168 BFGS: 283 00:55:38 -133.924052 0.0059 BFGS: 284 00:55:38 -133.924072 0.0122 BFGS: 285 00:55:38 -133.924059 0.0054 BFGS: 286 00:55:38 -133.924064 0.0051 BFGS: 287 00:55:38 -133.923973 0.0168 BFGS: 288 00:55:38 -133.924063 0.0127 BFGS: 289 00:55:38 -133.923806 0.0158 BFGS: 290 00:55:38 -133.923990 0.0092 BFGS: 291 00:55:38 -133.923973 0.0168 BFGS: 292 00:55:38 -133.924051 0.0059 BFGS: 293 00:55:39 -133.924073 0.0121 BFGS: 294 00:55:39 -133.924059 0.0054 BFGS: 295 00:55:39 -133.924063 0.0051 BFGS: 296 00:55:39 -133.923973 0.0168 BFGS: 297 00:55:39 -133.924064 0.0126 BFGS: 298 00:55:39 -133.923806 0.0158 BFGS: 299 00:55:39 -133.923990 0.0092 BFGS: 300 00:55:39 -133.923973 0.0168 BFGS: 301 00:55:39 -133.924051 0.0059 BFGS: 302 00:55:39 -133.924073 0.0044 BFGS: 303 00:55:39 -133.923973 0.0168 BFGS: 304 00:55:39 -133.924055 0.0131 BFGS: 305 00:55:39 -133.923806 0.0158 BFGS: 306 00:55:39 -133.923993 0.0091 BFGS: 307 00:55:39 -133.923973 0.0168 BFGS: 308 00:55:40 -133.924052 0.0059 BFGS: 309 00:55:40 -133.924072 0.0122 BFGS: 310 00:55:40 -133.924059 0.0054 BFGS: 311 00:55:40 -133.924064 0.0051 BFGS: 312 00:55:40 -133.923973 0.0168 BFGS: 313 00:55:40 -133.924063 0.0127 BFGS: 314 00:55:40 -133.923806 0.0158 BFGS: 315 00:55:40 -133.923990 0.0092 BFGS: 316 00:55:40 -133.923973 0.0168 BFGS: 317 00:55:40 -133.924051 0.0059 BFGS: 318 00:55:40 -133.924073 0.0121 BFGS: 319 00:55:40 -133.924059 0.0054 BFGS: 320 00:55:40 -133.924063 0.0051 BFGS: 321 00:55:40 -133.923973 0.0168 BFGS: 322 00:55:40 -133.924064 0.0126 BFGS: 323 00:55:41 -133.923806 0.0158 BFGS: 324 00:55:41 -133.923990 0.0092 BFGS: 325 00:55:41 -133.923973 0.0168 BFGS: 326 00:55:41 -133.924051 0.0059 BFGS: 327 00:55:41 -133.924073 0.0044 BFGS: 328 00:55:41 -133.923973 0.0168 BFGS: 329 00:55:41 -133.924055 0.0131 BFGS: 330 00:55:41 -133.923806 0.0158 BFGS: 331 00:55:41 -133.923993 0.0091 BFGS: 332 00:55:41 -133.923973 0.0168 BFGS: 333 00:55:41 -133.924052 0.0059 BFGS: 334 00:55:41 -133.924072 0.0122 BFGS: 335 00:55:41 -133.924059 0.0054 BFGS: 336 00:55:41 -133.924064 0.0051 BFGS: 337 00:55:41 -133.923973 0.0168 BFGS: 338 00:55:42 -133.924063 0.0127 BFGS: 339 00:55:42 -133.923806 0.0158 BFGS: 340 00:55:42 -133.923990 0.0092 BFGS: 341 00:55:42 -133.923973 0.0168 BFGS: 342 00:55:42 -133.924051 0.0059 BFGS: 343 00:55:42 -133.924073 0.0121 BFGS: 344 00:55:42 -133.924059 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0.0054 BFGS: 1845 00:57:13 -133.924063 0.0051 BFGS: 1846 00:57:13 -133.923973 0.0168 BFGS: 1847 00:57:13 -133.924064 0.0126 BFGS: 1848 00:57:13 -133.923806 0.0158 BFGS: 1849 00:57:13 -133.923990 0.0092 BFGS: 1850 00:57:13 -133.923973 0.0168 BFGS: 1851 00:57:13 -133.924051 0.0059 BFGS: 1852 00:57:14 -133.924073 0.0044 BFGS: 1853 00:57:14 -133.923973 0.0168 BFGS: 1854 00:57:14 -133.924055 0.0131 BFGS: 1855 00:57:14 -133.923806 0.0158 BFGS: 1856 00:57:14 -133.923993 0.0091 BFGS: 1857 00:57:14 -133.923973 0.0168 BFGS: 1858 00:57:14 -133.924052 0.0059 BFGS: 1859 00:57:14 -133.924072 0.0122 BFGS: 1860 00:57:14 -133.924059 0.0054 BFGS: 1861 00:57:14 -133.924064 0.0051 BFGS: 1862 00:57:14 -133.923973 0.0168 BFGS: 1863 00:57:14 -133.924063 0.0127 BFGS: 1864 00:57:14 -133.923806 0.0158 BFGS: 1865 00:57:14 -133.923990 0.0092 BFGS: 1866 00:57:14 -133.923973 0.0168 BFGS: 1867 00:57:14 -133.924051 0.0059 BFGS: 1868 00:57:14 -133.924073 0.0121 BFGS: 1869 00:57:15 -133.924059 0.0054 BFGS: 1870 00:57:15 -133.924063 0.0051 BFGS: 1871 00:57:15 -133.923973 0.0168 BFGS: 1872 00:57:15 -133.924064 0.0126 BFGS: 1873 00:57:15 -133.923806 0.0158 BFGS: 1874 00:57:15 -133.923990 0.0092 BFGS: 1875 00:57:15 -133.923973 0.0168 BFGS: 1876 00:57:15 -133.924051 0.0059 BFGS: 1877 00:57:15 -133.924073 0.0044 BFGS: 1878 00:57:15 -133.923973 0.0168 BFGS: 1879 00:57:15 -133.924055 0.0131 BFGS: 1880 00:57:15 -133.923806 0.0158 BFGS: 1881 00:57:15 -133.923993 0.0091 BFGS: 1882 00:57:15 -133.923973 0.0168 BFGS: 1883 00:57:15 -133.924052 0.0059 BFGS: 1884 00:57:15 -133.924072 0.0122 BFGS: 1885 00:57:15 -133.924059 0.0054 BFGS: 1886 00:57:16 -133.924064 0.0051 BFGS: 1887 00:57:16 -133.923973 0.0168 BFGS: 1888 00:57:16 -133.924063 0.0127 BFGS: 1889 00:57:16 -133.923806 0.0158 BFGS: 1890 00:57:16 -133.923990 0.0092 BFGS: 1891 00:57:16 -133.923973 0.0168 BFGS: 1892 00:57:16 -133.924051 0.0059 BFGS: 1893 00:57:16 -133.924073 0.0121 BFGS: 1894 00:57:16 -133.924059 0.0054 BFGS: 1895 00:57:16 -133.924063 0.0051 BFGS: 1896 00:57:16 -133.923973 0.0168 BFGS: 1897 00:57:16 -133.924064 0.0126 BFGS: 1898 00:57:16 -133.923806 0.0158 BFGS: 1899 00:57:16 -133.923990 0.0092 BFGS: 1900 00:57:16 -133.923973 0.0168 BFGS: 1901 00:57:16 -133.924051 0.0059 BFGS: 1902 00:57:16 -133.924073 0.0044 BFGS: 1903 00:57:17 -133.923973 0.0168 BFGS: 1904 00:57:17 -133.924055 0.0131 BFGS: 1905 00:57:17 -133.923806 0.0158 BFGS: 1906 00:57:17 -133.923993 0.0091 BFGS: 1907 00:57:17 -133.923973 0.0168 BFGS: 1908 00:57:17 -133.924052 0.0059 BFGS: 1909 00:57:17 -133.924072 0.0122 BFGS: 1910 00:57:17 -133.924059 0.0054 BFGS: 1911 00:57:17 -133.924064 0.0051 BFGS: 1912 00:57:17 -133.923973 0.0168 BFGS: 1913 00:57:17 -133.924063 0.0127 BFGS: 1914 00:57:17 -133.923806 0.0158 BFGS: 1915 00:57:17 -133.923990 0.0092 BFGS: 1916 00:57:17 -133.923973 0.0168 BFGS: 1917 00:57:17 -133.924051 0.0059 BFGS: 1918 00:57:17 -133.924073 0.0121 BFGS: 1919 00:57:17 -133.924059 0.0054 BFGS: 1920 00:57:18 -133.924063 0.0051 BFGS: 1921 00:57:18 -133.923973 0.0168 BFGS: 1922 00:57:18 -133.924064 0.0126 BFGS: 1923 00:57:18 -133.923806 0.0158 BFGS: 1924 00:57:18 -133.923990 0.0092 BFGS: 1925 00:57:18 -133.923973 0.0168 BFGS: 1926 00:57:18 -133.924051 0.0059 BFGS: 1927 00:57:18 -133.924073 0.0044 BFGS: 1928 00:57:18 -133.923973 0.0168 BFGS: 1929 00:57:18 -133.924055 0.0131 BFGS: 1930 00:57:18 -133.923806 0.0158 BFGS: 1931 00:57:18 -133.923993 0.0091 BFGS: 1932 00:57:18 -133.923973 0.0168 BFGS: 1933 00:57:18 -133.924052 0.0059 BFGS: 1934 00:57:18 -133.924072 0.0122 BFGS: 1935 00:57:18 -133.924059 0.0054 BFGS: 1936 00:57:18 -133.924064 0.0051 BFGS: 1937 00:57:19 -133.923973 0.0168 BFGS: 1938 00:57:19 -133.924063 0.0127 BFGS: 1939 00:57:19 -133.923806 0.0158 BFGS: 1940 00:57:19 -133.923990 0.0092 BFGS: 1941 00:57:19 -133.923973 0.0168 BFGS: 1942 00:57:19 -133.924051 0.0059 BFGS: 1943 00:57:19 -133.924073 0.0121 BFGS: 1944 00:57:19 -133.924059 0.0054 BFGS: 1945 00:57:19 -133.924063 0.0051 BFGS: 1946 00:57:19 -133.923973 0.0168 BFGS: 1947 00:57:19 -133.924064 0.0126 BFGS: 1948 00:57:19 -133.923806 0.0158 BFGS: 1949 00:57:19 -133.923990 0.0092 BFGS: 1950 00:57:19 -133.923973 0.0168 BFGS: 1951 00:57:19 -133.924051 0.0059 BFGS: 1952 00:57:19 -133.924073 0.0044 BFGS: 1953 00:57:19 -133.923973 0.0168 BFGS: 1954 00:57:20 -133.924055 0.0131 BFGS: 1955 00:57:20 -133.923806 0.0158 BFGS: 1956 00:57:20 -133.923993 0.0091 BFGS: 1957 00:57:20 -133.923973 0.0168 BFGS: 1958 00:57:20 -133.924052 0.0059 BFGS: 1959 00:57:20 -133.924072 0.0122 BFGS: 1960 00:57:20 -133.924059 0.0054 BFGS: 1961 00:57:20 -133.924064 0.0051 BFGS: 1962 00:57:20 -133.923973 0.0168 BFGS: 1963 00:57:20 -133.924063 0.0127 BFGS: 1964 00:57:20 -133.923806 0.0158 BFGS: 1965 00:57:20 -133.923990 0.0092 BFGS: 1966 00:57:20 -133.923973 0.0168 BFGS: 1967 00:57:20 -133.924051 0.0059 BFGS: 1968 00:57:20 -133.924073 0.0121 BFGS: 1969 00:57:20 -133.924059 0.0054 BFGS: 1970 00:57:20 -133.924063 0.0051 BFGS: 1971 00:57:21 -133.923973 0.0168 BFGS: 1972 00:57:21 -133.924064 0.0126 BFGS: 1973 00:57:21 -133.923806 0.0158 BFGS: 1974 00:57:21 -133.923990 0.0092 BFGS: 1975 00:57:21 -133.923973 0.0168 BFGS: 1976 00:57:21 -133.924051 0.0059 BFGS: 1977 00:57:21 -133.924073 0.0044 BFGS: 1978 00:57:21 -133.923973 0.0168 BFGS: 1979 00:57:21 -133.924055 0.0131 BFGS: 1980 00:57:21 -133.923806 0.0158 BFGS: 1981 00:57:21 -133.923993 0.0091 BFGS: 1982 00:57:21 -133.923973 0.0168 BFGS: 1983 00:57:21 -133.924052 0.0059 BFGS: 1984 00:57:21 -133.924072 0.0122 BFGS: 1985 00:57:21 -133.924059 0.0054 BFGS: 1986 00:57:21 -133.924064 0.0051 BFGS: 1987 00:57:21 -133.923973 0.0168 BFGS: 1988 00:57:22 -133.924063 0.0127 BFGS: 1989 00:57:22 -133.923806 0.0158 BFGS: 1990 00:57:22 -133.923990 0.0092 BFGS: 1991 00:57:22 -133.923973 0.0168 BFGS: 1992 00:57:22 -133.924051 0.0059 BFGS: 1993 00:57:22 -133.924073 0.0121 BFGS: 1994 00:57:22 -133.924059 0.0054 BFGS: 1995 00:57:22 -133.924063 0.0051 BFGS: 1996 00:57:22 -133.923973 0.0168 BFGS: 1997 00:57:22 -133.924064 0.0126 BFGS: 1998 00:57:22 -133.923806 0.0158 BFGS: 1999 00:57:22 -133.923990 0.0092 BFGS: 2000 00:57:22 -133.923973 0.0168 BFGS: 2001 00:57:22 -133.924051 0.0059 BFGS: 2002 00:57:22 -133.924073 0.0044 BFGS: 2003 00:57:22 -133.923973 0.0168 BFGS: 2004 00:57:22 -133.924055 0.0131 BFGS: 2005 00:57:23 -133.923806 0.0158 BFGS: 2006 00:57:23 -133.923993 0.0091 BFGS: 2007 00:57:23 -133.923973 0.0168 BFGS: 2008 00:57:23 -133.924052 0.0059 BFGS: 2009 00:57:23 -133.924072 0.0122 BFGS: 2010 00:57:23 -133.924059 0.0054 BFGS: 2011 00:57:23 -133.924064 0.0051 BFGS: 2012 00:57:23 -133.923973 0.0168 BFGS: 2013 00:57:23 -133.924063 0.0127 BFGS: 2014 00:57:23 -133.923806 0.0158 BFGS: 2015 00:57:23 -133.923990 0.0092 BFGS: 2016 00:57:23 -133.923973 0.0168 BFGS: 2017 00:57:23 -133.924051 0.0059 BFGS: 2018 00:57:23 -133.924073 0.0121 BFGS: 2019 00:57:23 -133.924059 0.0054 BFGS: 2020 00:57:23 -133.924063 0.0051 BFGS: 2021 00:57:23 -133.923973 0.0168 BFGS: 2022 00:57:24 -133.924064 0.0126 BFGS: 2023 00:57:24 -133.923806 0.0158 BFGS: 2024 00:57:24 -133.923990 0.0092 BFGS: 2025 00:57:24 -133.923973 0.0168 BFGS: 2026 00:57:24 -133.924051 0.0059 BFGS: 2027 00:57:24 -133.924073 0.0044 BFGS: 2028 00:57:24 -133.923973 0.0168 BFGS: 2029 00:57:24 -133.924055 0.0131 BFGS: 2030 00:57:24 -133.923806 0.0158 BFGS: 2031 00:57:24 -133.923993 0.0091 BFGS: 2032 00:57:24 -133.923973 0.0168 BFGS: 2033 00:57:24 -133.924052 0.0059 BFGS: 2034 00:57:24 -133.924072 0.0122 BFGS: 2035 00:57:24 -133.924059 0.0054 BFGS: 2036 00:57:24 -133.924064 0.0051 BFGS: 2037 00:57:24 -133.923973 0.0168 BFGS: 2038 00:57:24 -133.924063 0.0127 BFGS: 2039 00:57:25 -133.923806 0.0158 BFGS: 2040 00:57:25 -133.923990 0.0092 BFGS: 2041 00:57:25 -133.923973 0.0168 BFGS: 2042 00:57:25 -133.924051 0.0059 BFGS: 2043 00:57:25 -133.924073 0.0121 BFGS: 2044 00:57:25 -133.924059 0.0054 BFGS: 2045 00:57:25 -133.924063 0.0051 BFGS: 2046 00:57:25 -133.923973 0.0168 BFGS: 2047 00:57:25 -133.924064 0.0126 BFGS: 2048 00:57:25 -133.923806 0.0158 BFGS: 2049 00:57:25 -133.923990 0.0092 BFGS: 2050 00:57:25 -133.923973 0.0168 BFGS: 2051 00:57:25 -133.924051 0.0059 BFGS: 2052 00:57:25 -133.924073 0.0044 BFGS: 2053 00:57:25 -133.923973 0.0168 BFGS: 2054 00:57:25 -133.924055 0.0131 BFGS: 2055 00:57:25 -133.923806 0.0158 BFGS: 2056 00:57:26 -133.923993 0.0091 BFGS: 2057 00:57:26 -133.923973 0.0168 BFGS: 2058 00:57:26 -133.924052 0.0059 BFGS: 2059 00:57:26 -133.924072 0.0122 BFGS: 2060 00:57:26 -133.924059 0.0054 BFGS: 2061 00:57:26 -133.924064 0.0051 BFGS: 2062 00:57:26 -133.923973 0.0168 BFGS: 2063 00:57:26 -133.924063 0.0127 BFGS: 2064 00:57:26 -133.923806 0.0158 BFGS: 2065 00:57:26 -133.923990 0.0092 BFGS: 2066 00:57:26 -133.923973 0.0168 BFGS: 2067 00:57:26 -133.924051 0.0059 BFGS: 2068 00:57:26 -133.924073 0.0121 BFGS: 2069 00:57:26 -133.924059 0.0054 BFGS: 2070 00:57:26 -133.924063 0.0051 BFGS: 2071 00:57:26 -133.923973 0.0168 BFGS: 2072 00:57:26 -133.924064 0.0126 BFGS: 2073 00:57:27 -133.923806 0.0158 BFGS: 2074 00:57:27 -133.923990 0.0092 BFGS: 2075 00:57:27 -133.923973 0.0168 BFGS: 2076 00:57:27 -133.924051 0.0059 BFGS: 2077 00:57:27 -133.924073 0.0044 BFGS: 2078 00:57:27 -133.923973 0.0168 BFGS: 2079 00:57:27 -133.924055 0.0131 BFGS: 2080 00:57:27 -133.923806 0.0158 BFGS: 2081 00:57:27 -133.923993 0.0091 BFGS: 2082 00:57:27 -133.923973 0.0168 BFGS: 2083 00:57:27 -133.924052 0.0059 BFGS: 2084 00:57:27 -133.924072 0.0122 BFGS: 2085 00:57:27 -133.924059 0.0054 BFGS: 2086 00:57:27 -133.924064 0.0051 BFGS: 2087 00:57:27 -133.923973 0.0168 BFGS: 2088 00:57:27 -133.924063 0.0127 BFGS: 2089 00:57:27 -133.923806 0.0158 BFGS: 2090 00:57:27 -133.923990 0.0092 BFGS: 2091 00:57:28 -133.923973 0.0168 BFGS: 2092 00:57:28 -133.924051 0.0059 BFGS: 2093 00:57:28 -133.924073 0.0121 BFGS: 2094 00:57:28 -133.924059 0.0054 BFGS: 2095 00:57:28 -133.924063 0.0051 BFGS: 2096 00:57:28 -133.923973 0.0168 BFGS: 2097 00:57:28 -133.924064 0.0126 BFGS: 2098 00:57:28 -133.923806 0.0158 BFGS: 2099 00:57:28 -133.923990 0.0092 BFGS: 2100 00:57:28 -133.923973 0.0168 BFGS: 2101 00:57:28 -133.924051 0.0059 BFGS: 2102 00:57:28 -133.924073 0.0044 BFGS: 2103 00:57:28 -133.923973 0.0168 BFGS: 2104 00:57:28 -133.924055 0.0131 BFGS: 2105 00:57:28 -133.923806 0.0158 BFGS: 2106 00:57:28 -133.923993 0.0091 BFGS: 2107 00:57:28 -133.923973 0.0168 BFGS: 2108 00:57:29 -133.924052 0.0059 BFGS: 2109 00:57:29 -133.924072 0.0122 BFGS: 2110 00:57:29 -133.924059 0.0054 BFGS: 2111 00:57:29 -133.924064 0.0051 BFGS: 2112 00:57:29 -133.923973 0.0168 BFGS: 2113 00:57:29 -133.924063 0.0127 BFGS: 2114 00:57:29 -133.923806 0.0158 BFGS: 2115 00:57:29 -133.923990 0.0092 BFGS: 2116 00:57:29 -133.923973 0.0168 BFGS: 2117 00:57:29 -133.924051 0.0059 BFGS: 2118 00:57:29 -133.924073 0.0121 BFGS: 2119 00:57:29 -133.924059 0.0054 BFGS: 2120 00:57:29 -133.924063 0.0051 BFGS: 2121 00:57:29 -133.923973 0.0168 BFGS: 2122 00:57:29 -133.924064 0.0126 BFGS: 2123 00:57:29 -133.923806 0.0158 BFGS: 2124 00:57:29 -133.923990 0.0092 BFGS: 2125 00:57:30 -133.923973 0.0168 BFGS: 2126 00:57:30 -133.924051 0.0059 BFGS: 2127 00:57:30 -133.924073 0.0044 BFGS: 2128 00:57:30 -133.923973 0.0168 BFGS: 2129 00:57:30 -133.924055 0.0131 BFGS: 2130 00:57:30 -133.923806 0.0158 BFGS: 2131 00:57:30 -133.923993 0.0091 BFGS: 2132 00:57:30 -133.923973 0.0168 BFGS: 2133 00:57:30 -133.924052 0.0059 BFGS: 2134 00:57:30 -133.924072 0.0122 BFGS: 2135 00:57:30 -133.924059 0.0054 BFGS: 2136 00:57:30 -133.924064 0.0051 BFGS: 2137 00:57:30 -133.923973 0.0168 BFGS: 2138 00:57:30 -133.924063 0.0127 BFGS: 2139 00:57:30 -133.923806 0.0158 BFGS: 2140 00:57:30 -133.923990 0.0092 BFGS: 2141 00:57:30 -133.923973 0.0168 BFGS: 2142 00:57:31 -133.924051 0.0059 BFGS: 2143 00:57:31 -133.924073 0.0121 BFGS: 2144 00:57:31 -133.924059 0.0054 BFGS: 2145 00:57:31 -133.924063 0.0051 BFGS: 2146 00:57:31 -133.923973 0.0168 BFGS: 2147 00:57:31 -133.924064 0.0126 BFGS: 2148 00:57:31 -133.923806 0.0158 BFGS: 2149 00:57:31 -133.923990 0.0092 BFGS: 2150 00:57:31 -133.923973 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0.0168 BFGS: 6129 01:01:27 -133.924055 0.0131 BFGS: 6130 01:01:27 -133.923806 0.0158 BFGS: 6131 01:01:27 -133.923993 0.0091 BFGS: 6132 01:01:27 -133.923973 0.0168 BFGS: 6133 01:01:27 -133.924052 0.0059 BFGS: 6134 01:01:27 -133.924072 0.0122 BFGS: 6135 01:01:27 -133.924059 0.0054 BFGS: 6136 01:01:27 -133.924064 0.0051 BFGS: 6137 01:01:27 -133.923973 0.0168 BFGS: 6138 01:01:27 -133.924063 0.0127 BFGS: 6139 01:01:27 -133.923806 0.0158 BFGS: 6140 01:01:27 -133.923990 0.0092 BFGS: 6141 01:01:27 -133.923973 0.0168 BFGS: 6142 01:01:27 -133.924051 0.0059 BFGS: 6143 01:01:27 -133.924073 0.0121 BFGS: 6144 01:01:27 -133.924059 0.0054 BFGS: 6145 01:01:28 -133.924063 0.0051 BFGS: 6146 01:01:28 -133.923973 0.0168 BFGS: 6147 01:01:28 -133.924064 0.0126 BFGS: 6148 01:01:28 -133.923806 0.0158 BFGS: 6149 01:01:28 -133.923990 0.0092 BFGS: 6150 01:01:28 -133.923973 0.0168 BFGS: 6151 01:01:28 -133.924051 0.0059 BFGS: 6152 01:01:28 -133.924073 0.0044 BFGS: 6153 01:01:28 -133.923973 0.0168 BFGS: 6154 01:01:28 -133.924055 0.0131 BFGS: 6155 01:01:28 -133.923806 0.0158 BFGS: 6156 01:01:28 -133.923993 0.0091 BFGS: 6157 01:01:28 -133.923973 0.0168 BFGS: 6158 01:01:28 -133.924052 0.0059 BFGS: 6159 01:01:28 -133.924072 0.0122 BFGS: 6160 01:01:28 -133.924059 0.0054 BFGS: 6161 01:01:29 -133.924064 0.0051 BFGS: 6162 01:01:29 -133.923973 0.0168 BFGS: 6163 01:01:29 -133.924063 0.0127 BFGS: 6164 01:01:29 -133.923806 0.0158 BFGS: 6165 01:01:29 -133.923990 0.0092 BFGS: 6166 01:01:29 -133.923973 0.0168 BFGS: 6167 01:01:29 -133.924051 0.0059 BFGS: 6168 01:01:29 -133.924073 0.0121 BFGS: 6169 01:01:29 -133.924059 0.0054 BFGS: 6170 01:01:29 -133.924063 0.0051 BFGS: 6171 01:01:29 -133.923973 0.0168 BFGS: 6172 01:01:29 -133.924064 0.0126 BFGS: 6173 01:01:29 -133.923806 0.0158 BFGS: 6174 01:01:29 -133.923990 0.0092 BFGS: 6175 01:01:29 -133.923973 0.0168 BFGS: 6176 01:01:29 -133.924051 0.0059 BFGS: 6177 01:01:29 -133.924073 0.0044 BFGS: 6178 01:01:30 -133.923973 0.0168 BFGS: 6179 01:01:30 -133.924055 0.0131 BFGS: 6180 01:01:30 -133.923806 0.0158 BFGS: 6181 01:01:30 -133.923993 0.0091 BFGS: 6182 01:01:30 -133.923973 0.0168 BFGS: 6183 01:01:30 -133.924052 0.0059 BFGS: 6184 01:01:30 -133.924072 0.0122 BFGS: 6185 01:01:30 -133.924059 0.0054 BFGS: 6186 01:01:30 -133.924064 0.0051 BFGS: 6187 01:01:30 -133.923973 0.0168 BFGS: 6188 01:01:30 -133.924063 0.0127 BFGS: 6189 01:01:30 -133.923806 0.0158 BFGS: 6190 01:01:30 -133.923990 0.0092 BFGS: 6191 01:01:30 -133.923973 0.0168 BFGS: 6192 01:01:30 -133.924051 0.0059 BFGS: 6193 01:01:30 -133.924073 0.0121 BFGS: 6194 01:01:31 -133.924059 0.0054 BFGS: 6195 01:01:31 -133.924063 0.0051 BFGS: 6196 01:01:31 -133.923973 0.0168 BFGS: 6197 01:01:31 -133.924064 0.0126 BFGS: 6198 01:01:31 -133.923806 0.0158 BFGS: 6199 01:01:31 -133.923990 0.0092 BFGS: 6200 01:01:31 -133.923973 0.0168 BFGS: 6201 01:01:31 -133.924051 0.0059 BFGS: 6202 01:01:31 -133.924073 0.0044 BFGS: 6203 01:01:31 -133.923973 0.0168 BFGS: 6204 01:01:31 -133.924055 0.0131 BFGS: 6205 01:01:31 -133.923806 0.0158 BFGS: 6206 01:01:31 -133.923993 0.0091 BFGS: 6207 01:01:31 -133.923973 0.0168 BFGS: 6208 01:01:31 -133.924052 0.0059 BFGS: 6209 01:01:31 -133.924072 0.0122 BFGS: 6210 01:01:32 -133.924059 0.0054 BFGS: 6211 01:01:32 -133.924064 0.0051 BFGS: 6212 01:01:32 -133.923973 0.0168 BFGS: 6213 01:01:32 -133.924063 0.0127 BFGS: 6214 01:01:32 -133.923806 0.0158 BFGS: 6215 01:01:32 -133.923990 0.0092 BFGS: 6216 01:01:32 -133.923973 0.0168 BFGS: 6217 01:01:32 -133.924051 0.0059 BFGS: 6218 01:01:32 -133.924073 0.0121 BFGS: 6219 01:01:32 -133.924059 0.0054 BFGS: 6220 01:01:32 -133.924063 0.0051 BFGS: 6221 01:01:32 -133.923973 0.0168 BFGS: 6222 01:01:32 -133.924064 0.0126 BFGS: 6223 01:01:32 -133.923806 0.0158 BFGS: 6224 01:01:32 -133.923990 0.0092 BFGS: 6225 01:01:32 -133.923973 0.0168 BFGS: 6226 01:01:33 -133.924051 0.0059 BFGS: 6227 01:01:33 -133.924073 0.0044 BFGS: 6228 01:01:33 -133.923973 0.0168 BFGS: 6229 01:01:33 -133.924055 0.0131 BFGS: 6230 01:01:33 -133.923806 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01:02:47 -133.924055 0.0131 BFGS: 7430 01:02:47 -133.923806 0.0158 BFGS: 7431 01:02:47 -133.923993 0.0091 BFGS: 7432 01:02:47 -133.923973 0.0168 BFGS: 7433 01:02:47 -133.924052 0.0059 BFGS: 7434 01:02:47 -133.924072 0.0122 BFGS: 7435 01:02:48 -133.924059 0.0054 BFGS: 7436 01:02:48 -133.924064 0.0051 BFGS: 7437 01:02:48 -133.923973 0.0168 BFGS: 7438 01:02:48 -133.924063 0.0127 BFGS: 7439 01:02:48 -133.923806 0.0158 BFGS: 7440 01:02:48 -133.923990 0.0092 BFGS: 7441 01:02:48 -133.923973 0.0168 BFGS: 7442 01:02:48 -133.924051 0.0059 BFGS: 7443 01:02:48 -133.924073 0.0121 BFGS: 7444 01:02:48 -133.924059 0.0054 BFGS: 7445 01:02:48 -133.924063 0.0051 BFGS: 7446 01:02:48 -133.923973 0.0168 BFGS: 7447 01:02:48 -133.924064 0.0126 BFGS: 7448 01:02:48 -133.923806 0.0158 BFGS: 7449 01:02:48 -133.923990 0.0092 BFGS: 7450 01:02:48 -133.923973 0.0168 BFGS: 7451 01:02:49 -133.924051 0.0059 BFGS: 7452 01:02:49 -133.924073 0.0044 BFGS: 7453 01:02:49 -133.923973 0.0168 BFGS: 7454 01:02:49 -133.924055 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0.0158 BFGS: 9699 01:05:08 -133.923990 0.0092 BFGS: 9700 01:05:08 -133.923973 0.0168 BFGS: 9701 01:05:08 -133.924051 0.0059 BFGS: 9702 01:05:08 -133.924073 0.0044 BFGS: 9703 01:05:08 -133.923973 0.0168 BFGS: 9704 01:05:09 -133.924055 0.0131 BFGS: 9705 01:05:09 -133.923806 0.0158 BFGS: 9706 01:05:09 -133.923993 0.0091 BFGS: 9707 01:05:09 -133.923973 0.0168 BFGS: 9708 01:05:09 -133.924052 0.0059 BFGS: 9709 01:05:09 -133.924072 0.0122 BFGS: 9710 01:05:09 -133.924059 0.0054 BFGS: 9711 01:05:09 -133.924064 0.0051 BFGS: 9712 01:05:09 -133.923973 0.0168 BFGS: 9713 01:05:09 -133.924063 0.0127 BFGS: 9714 01:05:09 -133.923806 0.0158 BFGS: 9715 01:05:09 -133.923990 0.0092 BFGS: 9716 01:05:09 -133.923973 0.0168 BFGS: 9717 01:05:09 -133.924051 0.0059 BFGS: 9718 01:05:09 -133.924073 0.0121 BFGS: 9719 01:05:09 -133.924059 0.0054 BFGS: 9720 01:05:10 -133.924063 0.0051 BFGS: 9721 01:05:10 -133.923973 0.0168 BFGS: 9722 01:05:10 -133.924064 0.0126 BFGS: 9723 01:05:10 -133.923806 0.0158 BFGS: 9724 01:05:10 -133.923990 0.0092 BFGS: 9725 01:05:10 -133.923973 0.0168 BFGS: 9726 01:05:10 -133.924051 0.0059 BFGS: 9727 01:05:10 -133.924073 0.0044 BFGS: 9728 01:05:10 -133.923973 0.0168 BFGS: 9729 01:05:10 -133.924055 0.0131 BFGS: 9730 01:05:10 -133.923806 0.0158 BFGS: 9731 01:05:10 -133.923993 0.0091 BFGS: 9732 01:05:10 -133.923973 0.0168 BFGS: 9733 01:05:10 -133.924052 0.0059 BFGS: 9734 01:05:10 -133.924072 0.0122 BFGS: 9735 01:05:10 -133.924059 0.0054 BFGS: 9736 01:05:11 -133.924064 0.0051 BFGS: 9737 01:05:11 -133.923973 0.0168 BFGS: 9738 01:05:11 -133.924063 0.0127 BFGS: 9739 01:05:11 -133.923806 0.0158 BFGS: 9740 01:05:11 -133.923990 0.0092 BFGS: 9741 01:05:11 -133.923973 0.0168 BFGS: 9742 01:05:11 -133.924051 0.0059 BFGS: 9743 01:05:11 -133.924073 0.0121 BFGS: 9744 01:05:11 -133.924059 0.0054 BFGS: 9745 01:05:11 -133.924063 0.0051 BFGS: 9746 01:05:11 -133.923973 0.0168 BFGS: 9747 01:05:11 -133.924064 0.0126 BFGS: 9748 01:05:11 -133.923806 0.0158 BFGS: 9749 01:05:11 -133.923990 0.0092 BFGS: 9750 01:05:11 -133.923973 0.0168 BFGS: 9751 01:05:11 -133.924051 0.0059 BFGS: 9752 01:05:11 -133.924073 0.0044 BFGS: 9753 01:05:12 -133.923973 0.0168 BFGS: 9754 01:05:12 -133.924055 0.0131 BFGS: 9755 01:05:12 -133.923806 0.0158 BFGS: 9756 01:05:12 -133.923993 0.0091 BFGS: 9757 01:05:12 -133.923973 0.0168 BFGS: 9758 01:05:12 -133.924052 0.0059 BFGS: 9759 01:05:12 -133.924072 0.0122 BFGS: 9760 01:05:12 -133.924059 0.0054 BFGS: 9761 01:05:12 -133.924064 0.0051 BFGS: 9762 01:05:12 -133.923973 0.0168 BFGS: 9763 01:05:12 -133.924063 0.0127 BFGS: 9764 01:05:12 -133.923806 0.0158 BFGS: 9765 01:05:12 -133.923990 0.0092 BFGS: 9766 01:05:12 -133.923973 0.0168 BFGS: 9767 01:05:12 -133.924051 0.0059 BFGS: 9768 01:05:12 -133.924073 0.0121 BFGS: 9769 01:05:13 -133.924059 0.0054 BFGS: 9770 01:05:13 -133.924063 0.0051 BFGS: 9771 01:05:13 -133.923973 0.0168 BFGS: 9772 01:05:13 -133.924064 0.0126 BFGS: 9773 01:05:13 -133.923806 0.0158 BFGS: 9774 01:05:13 -133.923990 0.0092 BFGS: 9775 01:05:13 -133.923973 0.0168 BFGS: 9776 01:05:13 -133.924051 0.0059 BFGS: 9777 01:05:13 -133.924073 0.0044 BFGS: 9778 01:05:13 -133.923973 0.0168 BFGS: 9779 01:05:13 -133.924055 0.0131 BFGS: 9780 01:05:13 -133.923806 0.0158 BFGS: 9781 01:05:13 -133.923993 0.0091 BFGS: 9782 01:05:13 -133.923973 0.0168 BFGS: 9783 01:05:13 -133.924052 0.0059 BFGS: 9784 01:05:13 -133.924072 0.0122 BFGS: 9785 01:05:14 -133.924059 0.0054 BFGS: 9786 01:05:14 -133.924064 0.0051 BFGS: 9787 01:05:14 -133.923973 0.0168 BFGS: 9788 01:05:14 -133.924063 0.0127 BFGS: 9789 01:05:14 -133.923806 0.0158 BFGS: 9790 01:05:14 -133.923990 0.0092 BFGS: 9791 01:05:14 -133.923973 0.0168 BFGS: 9792 01:05:14 -133.924051 0.0059 BFGS: 9793 01:05:14 -133.924073 0.0121 BFGS: 9794 01:05:14 -133.924059 0.0054 BFGS: 9795 01:05:14 -133.924063 0.0051 BFGS: 9796 01:05:14 -133.923973 0.0168 BFGS: 9797 01:05:14 -133.924064 0.0126 BFGS: 9798 01:05:14 -133.923806 0.0158 BFGS: 9799 01:05:14 -133.923990 0.0092 BFGS: 9800 01:05:14 -133.923973 0.0168 BFGS: 9801 01:05:15 -133.924051 0.0059 BFGS: 9802 01:05:15 -133.924073 0.0044 BFGS: 9803 01:05:15 -133.923973 0.0168 BFGS: 9804 01:05:15 -133.924055 0.0131 BFGS: 9805 01:05:15 -133.923806 0.0158 BFGS: 9806 01:05:15 -133.923993 0.0091 BFGS: 9807 01:05:15 -133.923973 0.0168 BFGS: 9808 01:05:15 -133.924052 0.0059 BFGS: 9809 01:05:15 -133.924072 0.0122 BFGS: 9810 01:05:15 -133.924059 0.0054 BFGS: 9811 01:05:15 -133.924064 0.0051 BFGS: 9812 01:05:15 -133.923973 0.0168 BFGS: 9813 01:05:15 -133.924063 0.0127 BFGS: 9814 01:05:15 -133.923806 0.0158 BFGS: 9815 01:05:15 -133.923990 0.0092 BFGS: 9816 01:05:15 -133.923973 0.0168 BFGS: 9817 01:05:16 -133.924051 0.0059 BFGS: 9818 01:05:16 -133.924073 0.0121 BFGS: 9819 01:05:16 -133.924059 0.0054 BFGS: 9820 01:05:16 -133.924063 0.0051 BFGS: 9821 01:05:16 -133.923973 0.0168 BFGS: 9822 01:05:16 -133.924064 0.0126 BFGS: 9823 01:05:16 -133.923806 0.0158 BFGS: 9824 01:05:16 -133.923990 0.0092 BFGS: 9825 01:05:16 -133.923973 0.0168 BFGS: 9826 01:05:16 -133.924051 0.0059 BFGS: 9827 01:05:16 -133.924073 0.0044 BFGS: 9828 01:05:16 -133.923973 0.0168 BFGS: 9829 01:05:16 -133.924055 0.0131 BFGS: 9830 01:05:16 -133.923806 0.0158 BFGS: 9831 01:05:16 -133.923993 0.0091 BFGS: 9832 01:05:16 -133.923973 0.0168 BFGS: 9833 01:05:17 -133.924052 0.0059 BFGS: 9834 01:05:17 -133.924072 0.0122 BFGS: 9835 01:05:17 -133.924059 0.0054 BFGS: 9836 01:05:17 -133.924064 0.0051 BFGS: 9837 01:05:17 -133.923973 0.0168 BFGS: 9838 01:05:17 -133.924063 0.0127 BFGS: 9839 01:05:17 -133.923806 0.0158 BFGS: 9840 01:05:17 -133.923990 0.0092 BFGS: 9841 01:05:17 -133.923973 0.0168 BFGS: 9842 01:05:17 -133.924051 0.0059 BFGS: 9843 01:05:17 -133.924073 0.0121 BFGS: 9844 01:05:17 -133.924059 0.0054 BFGS: 9845 01:05:17 -133.924063 0.0051 BFGS: 9846 01:05:17 -133.923973 0.0168 BFGS: 9847 01:05:17 -133.924064 0.0126 BFGS: 9848 01:05:17 -133.923806 0.0158 BFGS: 9849 01:05:18 -133.923990 0.0092 BFGS: 9850 01:05:18 -133.923973 0.0168 BFGS: 9851 01:05:18 -133.924051 0.0059 BFGS: 9852 01:05:18 -133.924073 0.0044 BFGS: 9853 01:05:18 -133.923973 0.0168 BFGS: 9854 01:05:18 -133.924055 0.0131 BFGS: 9855 01:05:18 -133.923806 0.0158 BFGS: 9856 01:05:18 -133.923993 0.0091 BFGS: 9857 01:05:18 -133.923973 0.0168 BFGS: 9858 01:05:18 -133.924052 0.0059 BFGS: 9859 01:05:18 -133.924072 0.0122 BFGS: 9860 01:05:18 -133.924059 0.0054 BFGS: 9861 01:05:18 -133.924064 0.0051 BFGS: 9862 01:05:18 -133.923973 0.0168 BFGS: 9863 01:05:18 -133.924063 0.0127 BFGS: 9864 01:05:18 -133.923806 0.0158 BFGS: 9865 01:05:19 -133.923990 0.0092 BFGS: 9866 01:05:19 -133.923973 0.0168 BFGS: 9867 01:05:19 -133.924051 0.0059 BFGS: 9868 01:05:19 -133.924073 0.0121 BFGS: 9869 01:05:19 -133.924059 0.0054 BFGS: 9870 01:05:19 -133.924063 0.0051 BFGS: 9871 01:05:19 -133.923973 0.0168 BFGS: 9872 01:05:19 -133.924064 0.0126 BFGS: 9873 01:05:19 -133.923806 0.0158 BFGS: 9874 01:05:19 -133.923990 0.0092 BFGS: 9875 01:05:19 -133.923973 0.0168 BFGS: 9876 01:05:19 -133.924051 0.0059 BFGS: 9877 01:05:19 -133.924073 0.0044 BFGS: 9878 01:05:19 -133.923973 0.0168 BFGS: 9879 01:05:19 -133.924055 0.0131 BFGS: 9880 01:05:19 -133.923806 0.0158 BFGS: 9881 01:05:20 -133.923993 0.0091 BFGS: 9882 01:05:20 -133.923973 0.0168 BFGS: 9883 01:05:20 -133.924052 0.0059 BFGS: 9884 01:05:20 -133.924072 0.0122 BFGS: 9885 01:05:20 -133.924059 0.0054 BFGS: 9886 01:05:20 -133.924064 0.0051 BFGS: 9887 01:05:20 -133.923973 0.0168 BFGS: 9888 01:05:20 -133.924063 0.0127 BFGS: 9889 01:05:20 -133.923806 0.0158 BFGS: 9890 01:05:20 -133.923990 0.0092 BFGS: 9891 01:05:20 -133.923973 0.0168 BFGS: 9892 01:05:20 -133.924051 0.0059 BFGS: 9893 01:05:20 -133.924073 0.0121 BFGS: 9894 01:05:20 -133.924059 0.0054 BFGS: 9895 01:05:20 -133.924063 0.0051 BFGS: 9896 01:05:20 -133.923973 0.0168 BFGS: 9897 01:05:21 -133.924064 0.0126 BFGS: 9898 01:05:21 -133.923806 0.0158 BFGS: 9899 01:05:21 -133.923990 0.0092 BFGS: 9900 01:05:21 -133.923973 0.0168 BFGS: 9901 01:05:21 -133.924051 0.0059 BFGS: 9902 01:05:21 -133.924073 0.0044 BFGS: 9903 01:05:21 -133.923973 0.0168 BFGS: 9904 01:05:21 -133.924055 0.0131 BFGS: 9905 01:05:21 -133.923806 0.0158 BFGS: 9906 01:05:21 -133.923993 0.0091 BFGS: 9907 01:05:21 -133.923973 0.0168 BFGS: 9908 01:05:21 -133.924052 0.0059 BFGS: 9909 01:05:21 -133.924072 0.0122 BFGS: 9910 01:05:21 -133.924059 0.0054 BFGS: 9911 01:05:21 -133.924064 0.0051 BFGS: 9912 01:05:21 -133.923973 0.0168 BFGS: 9913 01:05:22 -133.924063 0.0127 BFGS: 9914 01:05:22 -133.923806 0.0158 BFGS: 9915 01:05:22 -133.923990 0.0092 BFGS: 9916 01:05:22 -133.923973 0.0168 BFGS: 9917 01:05:22 -133.924051 0.0059 BFGS: 9918 01:05:22 -133.924073 0.0121 BFGS: 9919 01:05:22 -133.924059 0.0054 BFGS: 9920 01:05:22 -133.924063 0.0051 BFGS: 9921 01:05:22 -133.923973 0.0168 BFGS: 9922 01:05:22 -133.924064 0.0126 BFGS: 9923 01:05:22 -133.923806 0.0158 BFGS: 9924 01:05:22 -133.923990 0.0092 BFGS: 9925 01:05:22 -133.923973 0.0168 BFGS: 9926 01:05:22 -133.924051 0.0059 BFGS: 9927 01:05:22 -133.924073 0.0044 BFGS: 9928 01:05:22 -133.923973 0.0168 BFGS: 9929 01:05:23 -133.924055 0.0131 BFGS: 9930 01:05:23 -133.923806 0.0158 BFGS: 9931 01:05:23 -133.923993 0.0091 BFGS: 9932 01:05:23 -133.923973 0.0168 BFGS: 9933 01:05:23 -133.924052 0.0059 BFGS: 9934 01:05:23 -133.924072 0.0122 BFGS: 9935 01:05:23 -133.924059 0.0054 BFGS: 9936 01:05:23 -133.924064 0.0051 BFGS: 9937 01:05:23 -133.923973 0.0168 BFGS: 9938 01:05:23 -133.924063 0.0127 BFGS: 9939 01:05:23 -133.923806 0.0158 BFGS: 9940 01:05:23 -133.923990 0.0092 BFGS: 9941 01:05:23 -133.923973 0.0168 BFGS: 9942 01:05:23 -133.924051 0.0059 BFGS: 9943 01:05:23 -133.924073 0.0121 BFGS: 9944 01:05:23 -133.924059 0.0054 BFGS: 9945 01:05:23 -133.924063 0.0051 BFGS: 9946 01:05:24 -133.923973 0.0168 BFGS: 9947 01:05:24 -133.924064 0.0126 BFGS: 9948 01:05:24 -133.923806 0.0158 BFGS: 9949 01:05:24 -133.923990 0.0092 BFGS: 9950 01:05:24 -133.923973 0.0168 BFGS: 9951 01:05:24 -133.924051 0.0059 BFGS: 9952 01:05:24 -133.924073 0.0044 BFGS: 9953 01:05:24 -133.923973 0.0168 BFGS: 9954 01:05:24 -133.924055 0.0131 BFGS: 9955 01:05:24 -133.923806 0.0158 BFGS: 9956 01:05:24 -133.923993 0.0091 BFGS: 9957 01:05:24 -133.923973 0.0168 BFGS: 9958 01:05:24 -133.924052 0.0059 BFGS: 9959 01:05:24 -133.924072 0.0122 BFGS: 9960 01:05:24 -133.924059 0.0054 BFGS: 9961 01:05:24 -133.924064 0.0051 BFGS: 9962 01:05:25 -133.923973 0.0168 BFGS: 9963 01:05:25 -133.924063 0.0127 BFGS: 9964 01:05:25 -133.923806 0.0158 BFGS: 9965 01:05:25 -133.923990 0.0092 BFGS: 9966 01:05:25 -133.923973 0.0168 BFGS: 9967 01:05:25 -133.924051 0.0059 BFGS: 9968 01:05:25 -133.924073 0.0121 BFGS: 9969 01:05:25 -133.924059 0.0054 BFGS: 9970 01:05:25 -133.924063 0.0051 BFGS: 9971 01:05:25 -133.923973 0.0168 BFGS: 9972 01:05:25 -133.924064 0.0126 BFGS: 9973 01:05:25 -133.923806 0.0158 BFGS: 9974 01:05:25 -133.923990 0.0092 BFGS: 9975 01:05:25 -133.923973 0.0168 BFGS: 9976 01:05:25 -133.924051 0.0059 BFGS: 9977 01:05:25 -133.924073 0.0044 BFGS: 9978 01:05:26 -133.923973 0.0168 BFGS: 9979 01:05:26 -133.924055 0.0131 BFGS: 9980 01:05:26 -133.923806 0.0158 BFGS: 9981 01:05:26 -133.923993 0.0091 BFGS: 9982 01:05:26 -133.923973 0.0168 BFGS: 9983 01:05:26 -133.924052 0.0059 BFGS: 9984 01:05:26 -133.924072 0.0122 BFGS: 9985 01:05:26 -133.924059 0.0054 BFGS: 9986 01:05:26 -133.924064 0.0051 BFGS: 9987 01:05:26 -133.923973 0.0168 BFGS: 9988 01:05:26 -133.924063 0.0127 BFGS: 9989 01:05:26 -133.923806 0.0158 BFGS: 9990 01:05:26 -133.923990 0.0092 BFGS: 9991 01:05:26 -133.923973 0.0168 BFGS: 9992 01:05:26 -133.924051 0.0059 BFGS: 9993 01:05:26 -133.924073 0.0121 BFGS: 9994 01:05:27 -133.924059 0.0054 BFGS: 9995 01:05:27 -133.924063 0.0051 BFGS: 9996 01:05:27 -133.923973 0.0168 BFGS: 9997 01:05:27 -133.924064 0.0126 BFGS: 9998 01:05:27 -133.923806 0.0158 BFGS: 9999 01:05:27 -133.923990 0.0092 BFGS: 10000 01:05:27 -133.923973 0.0168 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.015788070477333698 eV/Angstrom Maximum stress component: 0.0008231680713979183 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[7.49984335e-01 3.44530325e-01 2.50000000e-01] [2.50015665e-01 6.55469675e-01 7.50000000e-01] [2.50015665e-01 8.44530325e-01 2.50000000e-01] [7.49984335e-01 1.55469675e-01 7.50000000e-01] [2.48320476e-01 1.14823781e-01 7.56318338e-02] [7.51679524e-01 8.85176219e-01 5.75631834e-01] [7.51679524e-01 6.14823781e-01 4.24368166e-01] [2.48320476e-01 3.85176219e-01 9.24368166e-01] [7.51679524e-01 8.85176219e-01 9.24368166e-01] [2.48320476e-01 1.14823781e-01 4.24368166e-01] [2.48320476e-01 3.85176219e-01 5.75631834e-01] [7.51679524e-01 6.14823781e-01 7.56318338e-02] [7.71265419e-01 2.50000000e-01 7.02174204e-37] [2.28734581e-01 7.50000000e-01 5.00000000e-01] [2.28734581e-01 7.50000000e-01 0.00000000e+00] [7.71265419e-01 2.50000000e-01 5.00000000e-01] [2.53625782e-01 1.93552886e-01 2.50000000e-01] [7.46374218e-01 8.06447114e-01 7.50000000e-01] [7.46374218e-01 6.93552886e-01 2.50000000e-01] [2.53625782e-01 3.06447114e-01 7.50000000e-01] [2.52155753e-01 4.51478132e-01 1.03082661e-01] [7.47844247e-01 5.48521868e-01 6.03082661e-01] [7.47844247e-01 9.51478132e-01 3.96917339e-01] [2.52155753e-01 4.85218684e-02 8.96917339e-01] [7.47844247e-01 5.48521868e-01 8.96917339e-01] [2.52155753e-01 4.51478132e-01 3.96917339e-01] [2.52155753e-01 4.85218684e-02 6.03082661e-01] [7.47844247e-01 9.51478132e-01 1.03082661e-01]] cellpar = Cell([[2.9302236317798047, -1.0385170236474083e-35, 0.0], [-3.439977050008078e-35, 9.73523722747689, 0.0], [0.0, 0.0, 8.40077861973082]]) forces = [[-2.14204804e-06 -2.54442083e-06 -2.12065466e-28] [ 2.14204804e-06 2.54442083e-06 2.12065466e-28] [ 2.14204804e-06 -2.54442083e-06 -1.06032733e-28] [-2.14204804e-06 2.54442083e-06 1.06032733e-28] [ 2.40230014e-06 1.28944308e-05 -3.18356169e-06] [-2.40230014e-06 -1.28944308e-05 -3.18356169e-06] [-2.40230014e-06 1.28944308e-05 3.18356169e-06] [ 2.40230014e-06 -1.28944308e-05 3.18356169e-06] [-2.40230014e-06 -1.28944308e-05 3.18356169e-06] [ 2.40230014e-06 1.28944308e-05 3.18356169e-06] [ 2.40230014e-06 -1.28944308e-05 -3.18356169e-06] [-2.40230014e-06 1.28944308e-05 -3.18356169e-06] [-1.57880705e-02 5.89804650e-27 0.00000000e+00] [ 1.57880705e-02 4.91503875e-27 0.00000000e+00] [ 1.57880705e-02 -7.86406201e-27 0.00000000e+00] [-1.57880705e-02 2.94902325e-27 0.00000000e+00] [ 1.57781961e-02 -6.14356746e-03 0.00000000e+00] [-1.57781961e-02 6.14356746e-03 0.00000000e+00] [-1.57781961e-02 -6.14356746e-03 1.06032733e-28] [ 1.57781961e-02 6.14356746e-03 -1.06032733e-28] [-1.54777008e-06 6.16469748e-06 7.87283300e-06] [ 1.54777008e-06 -6.16469748e-06 7.87283300e-06] [ 1.54777008e-06 6.16469748e-06 -7.87283300e-06] [-1.54777008e-06 -6.16469748e-06 -7.87283300e-06] [ 1.54777008e-06 -6.16469748e-06 -7.87283300e-06] [-1.54777008e-06 6.16469748e-06 -7.87283300e-06] [-1.54777008e-06 -6.16469748e-06 7.87283300e-06] [ 1.54777008e-06 6.16469748e-06 7.87283300e-06]] stress = [-3.71593388e-04 -5.70169201e-05 -8.23168071e-04 0.00000000e+00 0.00000000e+00 2.21229540e-31] energy per atom = -4.720917552901454 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0