element(s): ['Al', 'U'] AFLOW prototype label: A2B_hP24_194_fgh_ef Parameter names: ['a', 'c/a', 'z1', 'z2', 'z3', 'x5'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.6027', '3.2856301', '0.089841987', '0.62718468', '0.34357231', '0.83724254'] model name: MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Al', 'U', 'U'] representative atom coordinates = [[0.33333333 0.66666667 0.62718468] [0.5 0. 0. ] [0.83724254 0.67448508 0.25 ] [0. 0. 0.08984199] [0.33333333 0.66666667 0.34357231]] spacegroup = 194 cell = [[5.6027, 0, 0], [-2.80135, 4.8520805297831, 0], [0, 0, 18.4084]] ========================================= Step Time Energy fmax BFGS: 0 15:06:21 -103.029591 1.852746 BFGS: 1 15:06:21 -103.173520 1.794107 BFGS: 2 15:06:22 -103.443552 1.706319 BFGS: 3 15:06:22 -103.692683 1.623172 BFGS: 4 15:06:23 -103.931337 1.535102 BFGS: 5 15:06:24 -104.157727 1.443096 BFGS: 6 15:06:24 -104.367778 1.347291 BFGS: 7 15:06:25 -104.559218 1.248075 BFGS: 8 15:06:25 -104.732589 1.145572 BFGS: 9 15:06:26 -104.888760 1.039953 BFGS: 10 15:06:26 -105.028414 0.931405 BFGS: 11 15:06:27 -105.152012 0.820119 BFGS: 12 15:06:27 -105.259755 0.706285 BFGS: 13 15:06:28 -105.351552 0.590087 BFGS: 14 15:06:28 -105.427012 0.471705 BFGS: 15 15:06:29 -105.483767 0.308687 BFGS: 16 15:06:29 -105.513300 0.136685 BFGS: 17 15:06:30 -105.516943 0.122806 BFGS: 18 15:06:30 -105.516841 0.223491 BFGS: 19 15:06:31 -105.516924 0.084545 BFGS: 20 15:06:31 -105.516647 0.075989 BFGS: 21 15:06:32 -105.516599 0.053105 BFGS: 22 15:06:32 -105.516646 0.046625 BFGS: 23 15:06:33 -105.519163 0.059559 BFGS: 24 15:06:33 -105.519488 0.053044 BFGS: 25 15:06:34 -105.519321 0.037573 BFGS: 26 15:06:34 -105.519095 0.011693 BFGS: 27 15:06:35 -105.518847 0.013063 BFGS: 28 15:06:35 -105.518487 0.069943 BFGS: 29 15:06:36 -105.518360 0.028663 BFGS: 30 15:06:36 -105.518151 0.019973 BFGS: 31 15:06:37 -105.517942 0.020352 BFGS: 32 15:06:37 -105.517740 0.021480 BFGS: 33 15:06:38 -105.517549 0.021060 BFGS: 34 15:06:38 -105.498748 0.918223 BFGS: 35 15:06:39 -105.517185 0.026621 BFGS: 36 15:06:39 -105.517027 0.011983 BFGS: 37 15:06:40 -105.516868 0.001293 BFGS: 38 15:06:41 -105.516710 0.009982 BFGS: 39 15:06:41 -105.516555 0.014137 BFGS: 40 15:06:42 -105.516405 0.017362 BFGS: 41 15:06:43 -105.516037 0.219490 BFGS: 42 15:06:44 -105.515985 0.196450 BFGS: 43 15:06:44 -105.515986 0.072332 BFGS: 44 15:06:45 -105.515865 0.025341 BFGS: 45 15:06:46 -105.515731 0.027477 BFGS: 46 15:06:47 -105.515597 0.035437 BFGS: 47 15:06:48 -105.515464 0.043791 BFGS: 48 15:06:48 -105.515332 0.052741 BFGS: 49 15:06:49 -105.515200 0.058541 BFGS: 50 15:06:50 -105.515056 0.078234 BFGS: 51 15:06:50 -105.514948 0.070801 BFGS: 52 15:06:51 -105.514824 0.070342 BFGS: 53 15:06:52 -105.514723 0.123556 BFGS: 54 15:06:52 -105.514613 0.123896 BFGS: 55 15:06:53 -105.514522 0.144812 BFGS: 56 15:06:54 -105.514406 0.162988 BFGS: 57 15:06:54 -105.514289 0.206833 BFGS: 58 15:06:55 -105.514168 0.216077 BFGS: 59 15:06:56 -105.514046 0.229866 BFGS: 60 15:06:57 -105.513927 0.241752 BFGS: 61 15:06:57 -105.513806 0.256793 BFGS: 62 15:06:58 -105.513418 0.484434 BFGS: 63 15:06:58 -105.513567 0.291839 BFGS: 64 15:06:59 -105.513447 0.310815 BFGS: 65 15:07:00 -105.513328 0.333950 BFGS: 66 15:07:00 -105.513209 0.343951 BFGS: 67 15:07:01 -105.513091 0.352073 BFGS: 68 15:07:02 -105.512973 0.359208 BFGS: 69 15:07:02 -105.512855 0.373374 BFGS: 70 15:07:03 -105.512737 0.397287 BFGS: 71 15:07:04 -105.512619 0.410768 BFGS: 72 15:07:04 -105.512502 0.431514 BFGS: 73 15:07:05 -105.512384 0.444542 BFGS: 74 15:07:05 -105.512235 0.452615 BFGS: 75 15:07:06 -105.512148 0.459248 BFGS: 76 15:07:06 -105.512032 0.489577 BFGS: 77 15:07:07 -105.511915 0.501129 BFGS: 78 15:07:07 -105.511798 0.520850 BFGS: 79 15:07:08 -105.511682 0.530333 BFGS: 80 15:07:09 -105.511565 0.546512 BFGS: 81 15:07:09 -105.511407 0.653231 BFGS: 82 15:07:10 -105.511333 0.579461 BFGS: 83 15:07:10 -105.511217 0.597953 BFGS: 84 15:07:11 -105.511101 0.618552 BFGS: 85 15:07:12 -105.510985 0.629540 BFGS: 86 15:07:12 -105.510869 0.641104 BFGS: 87 15:07:13 -105.510738 0.629718 BFGS: 88 15:07:14 -105.510638 0.664353 BFGS: 89 15:07:14 -105.510523 0.676907 BFGS: 90 15:07:15 -105.510379 0.698081 BFGS: 91 15:07:15 -105.510292 0.704483 BFGS: 92 15:07:16 -105.510177 0.719306 BFGS: 93 15:07:17 -105.510062 0.746566 BFGS: 94 15:07:18 -105.509949 0.754174 BFGS: 95 15:07:18 -105.509834 0.770784 BFGS: 96 15:07:19 -105.509706 0.848863 BFGS: 97 15:07:19 -105.509606 0.807491 BFGS: 98 15:07:20 -105.509492 0.825375 BFGS: 99 15:07:21 -105.509378 0.847795 BFGS: 100 15:07:21 -105.509264 0.856898 BFGS: 101 15:07:22 -105.509150 0.869939 BFGS: 102 15:07:22 -105.509037 0.886454 BFGS: 103 15:07:23 -105.508914 0.939233 BFGS: 104 15:07:23 -105.508811 0.916886 BFGS: 105 15:07:24 -105.508698 0.934500 BFGS: 106 15:07:25 -105.508586 0.951733 BFGS: 107 15:07:25 -105.508473 0.962906 BFGS: 108 15:07:26 -105.508360 0.977505 BFGS: 109 15:07:26 -105.508241 1.030936 BFGS: 110 15:07:27 -105.508135 1.008207 BFGS: 111 15:07:28 -105.508022 1.025156 BFGS: 112 15:07:29 -105.507910 1.046638 BFGS: 113 15:07:29 -105.507798 1.055009 BFGS: 114 15:07:30 -105.507685 1.068964 BFGS: 115 15:07:30 -105.507571 1.102316 BFGS: 116 15:07:31 -105.507461 1.097974 BFGS: 117 15:07:31 -105.507350 1.113445 BFGS: 118 15:07:32 -105.507238 1.131923 BFGS: 119 15:07:32 -105.507126 1.142127 BFGS: 120 15:07:33 -105.507015 1.156691 BFGS: 121 15:07:34 -105.506879 1.213976 BFGS: 122 15:07:34 -105.506792 1.185961 BFGS: 123 15:07:35 -105.506681 1.202198 BFGS: 124 15:07:36 -105.506569 1.219255 BFGS: 125 15:07:37 -105.506458 1.231785 BFGS: 126 15:07:38 -105.506347 1.245413 BFGS: 127 15:07:39 -105.506235 1.280370 BFGS: 128 15:07:40 -105.506125 1.276090 BFGS: 129 15:07:40 -105.506014 1.293073 BFGS: 130 15:07:41 -105.505903 1.314507 BFGS: 131 15:07:42 -105.505792 1.324258 BFGS: 132 15:07:43 -105.505681 1.339307 BFGS: 133 15:07:43 -105.505570 1.366706 BFGS: 134 15:07:44 -105.505459 1.371780 BFGS: 135 15:07:44 -105.505349 1.387325 BFGS: 136 15:07:45 -105.505235 1.437145 BFGS: 137 15:07:46 -105.505128 1.421352 BFGS: 138 15:07:46 -105.505017 1.437289 BFGS: 139 15:07:47 -105.504821 1.567856 BFGS: 140 15:07:47 -105.504798 1.471425 BFGS: 141 15:07:48 -105.504689 1.486222 BFGS: 142 15:07:49 -105.504580 1.497923 BFGS: 143 15:07:49 -105.504472 1.505448 BFGS: 144 15:07:50 -105.504362 1.514048 BFGS: 145 15:07:51 -105.504253 1.522818 BFGS: 146 15:07:51 -105.504143 1.538630 BFGS: 147 15:07:52 -105.504034 1.556496 BFGS: 148 15:07:52 -105.503925 1.574676 BFGS: 149 15:07:53 -105.503815 1.587678 BFGS: 150 15:07:54 -105.503706 1.601393 BFGS: 151 15:07:55 -105.503597 1.613443 BFGS: 152 15:07:55 -105.503488 1.627957 BFGS: 153 15:07:56 -105.503377 1.652037 BFGS: 154 15:07:56 -105.503270 1.656873 BFGS: 155 15:07:57 -105.503161 1.672188 BFGS: 156 15:07:58 -105.503053 1.688953 BFGS: 157 15:07:58 -105.502944 1.701249 BFGS: 158 15:07:59 -105.502835 1.715657 BFGS: 159 15:07:59 -105.502726 1.743701 BFGS: 160 15:08:00 -105.502618 1.745350 BFGS: 161 15:08:00 -105.502510 1.760606 BFGS: 162 15:08:01 -105.502402 1.777843 BFGS: 163 15:08:01 -105.502293 1.788980 BFGS: 164 15:08:02 -105.502185 1.803503 BFGS: 165 15:08:02 -105.502068 1.833428 BFGS: 166 15:08:03 -105.501969 1.832099 BFGS: 167 15:08:04 -105.501861 1.847313 BFGS: 168 15:08:05 -105.501753 1.863122 BFGS: 169 15:08:05 -105.501645 1.876294 BFGS: 170 15:08:06 -105.501537 1.890347 BFGS: 171 15:08:06 -105.501430 1.912536 BFGS: 172 15:08:07 -105.501322 1.922862 BFGS: 173 15:08:07 -105.501214 1.935974 BFGS: 174 15:08:08 -105.501106 1.961773 BFGS: 175 15:08:09 -105.500999 1.966163 BFGS: 176 15:08:09 -105.500892 1.978073 BFGS: 177 15:08:10 -105.500778 1.974145 BFGS: 178 15:08:10 -105.500678 2.000886 BFGS: 179 15:08:11 -105.500570 2.016605 BFGS: 180 15:08:12 -105.500463 2.033427 BFGS: 181 15:08:12 -105.500356 2.047835 BFGS: 182 15:08:13 -105.500249 2.062950 BFGS: 183 15:08:14 -105.500141 2.084376 BFGS: 184 15:08:14 -105.500036 2.091689 BFGS: 185 15:08:15 -105.499929 2.106848 BFGS: 186 15:08:15 -105.499822 2.122926 BFGS: 187 15:08:16 -105.499716 2.135512 BFGS: 188 15:08:17 -105.499609 2.149838 BFGS: 189 15:08:17 -105.499497 2.177965 BFGS: 190 15:08:18 -105.499396 2.178369 BFGS: 191 15:08:18 -105.499290 2.193282 BFGS: 192 15:08:19 -105.499183 2.208677 BFGS: 193 15:08:19 -105.499077 2.221886 BFGS: 194 15:08:20 -105.498971 2.235847 BFGS: 195 15:08:20 -105.498865 2.258082 BFGS: 196 15:08:21 -105.498759 2.267850 BFGS: 197 15:08:22 -105.498652 2.257080 BFGS: 198 15:08:22 -105.498547 2.285287 BFGS: 199 15:08:23 -105.498441 2.300362 BFGS: 200 15:08:24 -105.494308 2.770556 BFGS: 201 15:08:25 -105.498230 2.333848 BFGS: 202 15:08:25 -105.498125 2.350014 BFGS: 203 15:08:26 -105.498020 2.367118 BFGS: 204 15:08:27 -105.497915 2.379858 BFGS: 205 15:08:28 -105.497813 2.377370 BFGS: 206 15:08:28 -105.497711 2.373596 BFGS: 207 15:08:29 -105.497611 2.372733 BFGS: 208 15:08:29 -105.497523 2.357137 BFGS: 209 15:08:30 -105.497453 2.336638 BFGS: 210 15:08:31 -105.497442 2.296016 BFGS: 211 15:08:31 -105.497541 2.242260 BFGS: 212 15:08:32 -105.497911 2.159353 BFGS: 213 15:08:33 -105.498789 2.039738 BFGS: 214 15:08:33 -105.500640 1.828226 BFGS: 215 15:08:34 -105.503805 1.424694 BFGS: 216 15:08:34 -105.507408 0.815857 BFGS: 217 15:08:35 -105.509648 0.314848 BFGS: 218 15:08:35 -105.510457 0.125480 BFGS: 219 15:08:36 -105.510554 0.033741 BFGS: 220 15:08:37 -105.510555 0.016259 BFGS: 221 15:08:38 -105.510548 0.005196 BFGS: 222 15:08:38 -105.510541 0.001950 BFGS: 223 15:08:39 -105.510534 0.000320 BFGS: 224 15:08:40 -105.510527 0.001756 BFGS: 225 15:08:40 -105.510519 0.002292 BFGS: 226 15:08:41 -105.510512 0.004373 BFGS: 227 15:08:42 -105.510505 0.004605 BFGS: 228 15:08:43 -105.510498 0.020509 BFGS: 229 15:08:44 -105.510491 0.012385 BFGS: 230 15:08:44 -105.510484 0.006549 BFGS: 231 15:08:45 -105.510477 0.022086 BFGS: 232 15:08:46 -105.510470 0.004696 BFGS: 233 15:08:47 -105.510464 0.003601 BFGS: 234 15:08:47 -105.510455 0.013703 BFGS: 235 15:08:48 -105.510450 0.004374 BFGS: 236 15:08:49 -105.510444 0.004409 BFGS: 237 15:08:50 -105.510437 0.002126 BFGS: 238 15:08:50 -105.510431 0.004022 BFGS: 239 15:08:51 -105.510424 0.003872 BFGS: 240 15:08:51 -105.510287 0.156558 BFGS: 241 15:08:52 -105.510412 0.004280 BFGS: 242 15:08:52 -105.510405 0.002030 BFGS: 243 15:08:53 -105.510399 0.000257 BFGS: 244 15:08:54 -105.510393 0.002075 BFGS: 245 15:08:55 -105.510387 0.003916 BFGS: 246 15:08:55 -105.510381 0.003954 BFGS: 247 15:08:56 -105.510374 0.020635 BFGS: 248 15:08:56 -105.510368 0.006666 BFGS: 249 15:08:57 -105.510362 0.007848 BFGS: 250 15:08:57 -105.510357 0.020049 BFGS: 251 15:08:58 -105.510351 0.006345 BFGS: 252 15:08:59 -105.510345 0.005724 BFGS: 253 15:08:59 -105.510339 0.004915 BFGS: 254 15:09:00 -105.502700 1.771796 BFGS: 255 15:09:00 -105.510328 0.003560 BFGS: 256 15:09:01 -105.510322 0.002482 BFGS: 257 15:09:01 -105.510317 0.004534 BFGS: 258 15:09:02 -105.510311 0.003936 BFGS: 259 15:09:03 -105.510277 0.115205 BFGS: 260 15:09:03 -105.510299 0.045529 BFGS: 261 15:09:04 -105.510295 0.015854 BFGS: 262 15:09:04 -105.510289 0.002813 BFGS: 263 15:09:05 -105.510284 0.003574 BFGS: 264 15:09:06 -105.510278 0.006352 BFGS: 265 15:09:06 -105.510273 0.007842 BFGS: 266 15:09:07 -105.510268 0.009400 BFGS: 267 15:09:08 -105.510262 0.008471 BFGS: 268 15:09:08 -105.510257 0.013724 BFGS: 269 15:09:09 -105.510252 0.012791 BFGS: 270 15:09:09 -105.510247 0.016301 BFGS: 271 15:09:10 -105.510242 0.013305 BFGS: 272 15:09:11 -105.510237 0.014080 BFGS: 273 15:09:11 -105.510232 0.003564 BFGS: 274 15:09:12 -105.510227 0.003396 BFGS: 275 15:09:13 -105.510222 0.013249 BFGS: 276 15:09:14 -105.510218 0.003830 BFGS: 277 15:09:14 -105.510213 0.003518 BFGS: 278 15:09:15 -105.510208 0.009158 BFGS: 279 15:09:15 -105.510203 0.003557 BFGS: 280 15:09:16 -105.510198 0.003412 BFGS: 281 15:09:17 -105.510192 0.021407 BFGS: 282 15:09:18 -105.510189 0.003568 BFGS: 283 15:09:18 -105.510184 0.002962 BFGS: 284 15:09:19 -105.510180 0.005245 BFGS: 285 15:09:20 -105.510175 0.002632 BFGS: 286 15:09:21 -105.510171 0.002890 BFGS: 287 15:09:22 -105.510166 0.005926 BFGS: 288 15:09:23 -105.510161 0.002215 BFGS: 289 15:09:23 -105.510157 0.002309 BFGS: 290 15:09:24 -105.510152 0.012111 BFGS: 291 15:09:25 -105.510148 0.002172 BFGS: 292 15:09:25 -105.510144 0.001501 BFGS: 293 15:09:26 -105.510139 0.001482 BFGS: 294 15:09:27 -105.510135 0.002449 BFGS: 295 15:09:28 -105.510131 0.002937 BFGS: 296 15:09:28 -105.510099 0.055608 BFGS: 297 15:09:29 -105.510122 0.004225 BFGS: 298 15:09:30 -105.510118 0.003306 BFGS: 299 15:09:31 -105.510114 0.001673 BFGS: 300 15:09:31 -105.510110 0.003539 BFGS: 301 15:09:32 -105.510105 0.004609 BFGS: 302 15:09:33 -105.510101 0.002697 BFGS: 303 15:09:33 -105.510097 0.007189 BFGS: 304 15:09:34 -105.510093 0.004031 BFGS: 305 15:09:35 -105.510086 0.015813 BFGS: 306 15:09:35 -105.510085 0.003665 BFGS: 307 15:09:36 -105.510081 0.003256 BFGS: 308 15:09:37 -105.510077 0.005079 BFGS: 309 15:09:37 -105.510073 0.003527 BFGS: 310 15:09:38 -105.510069 0.003532 BFGS: 311 15:09:39 -105.509884 0.232677 BFGS: 312 15:09:39 -105.510062 0.003146 BFGS: 313 15:09:40 -105.510058 0.002339 BFGS: 314 15:09:41 -105.510054 0.004208 BFGS: 315 15:09:42 -105.510050 0.001763 BFGS: 316 15:09:43 -105.510046 0.003294 BFGS: 317 15:09:44 -105.510043 0.004874 BFGS: 318 15:09:45 -105.510039 0.002858 BFGS: 319 15:09:45 -105.510035 0.001985 BFGS: 320 15:09:46 -105.510024 0.026032 BFGS: 321 15:09:47 -105.510028 0.002174 BFGS: 322 15:09:47 -105.510024 0.001600 BFGS: 323 15:09:48 -105.510021 0.001045 BFGS: 324 15:09:48 -105.510017 0.002208 BFGS: 325 15:09:49 -105.510013 0.002887 BFGS: 326 15:09:49 -105.510010 0.001347 BFGS: 327 15:09:50 -105.510006 0.002862 BFGS: 328 15:09:50 -105.510003 0.001290 BFGS: 329 15:09:51 -105.509998 0.033814 BFGS: 330 15:09:51 -105.509996 0.004905 BFGS: 331 15:09:52 -105.509992 0.007243 BFGS: 332 15:09:52 -105.509988 0.030047 BFGS: 333 15:09:53 -105.509985 0.011597 BFGS: 334 15:09:54 -105.509982 0.013652 BFGS: 335 15:09:54 -105.509979 0.006095 BFGS: 336 15:09:55 -105.509975 0.006818 BFGS: 337 15:09:56 -105.509972 0.008196 BFGS: 338 15:09:57 -105.509968 0.009506 BFGS: 339 15:09:58 -105.509965 0.011308 BFGS: 340 15:09:58 -105.509961 0.011949 BFGS: 341 15:09:59 -105.509958 0.012925 BFGS: 342 15:09:59 -105.509955 0.014838 BFGS: 343 15:10:00 -105.509951 0.015487 BFGS: 344 15:10:01 -105.509948 0.016523 BFGS: 345 15:10:01 -105.509944 0.017957 BFGS: 346 15:10:02 -105.509941 0.020050 BFGS: 347 15:10:03 -105.509938 0.021854 BFGS: 348 15:10:04 -105.509935 0.023650 BFGS: 349 15:10:05 -105.509932 0.023392 BFGS: 350 15:10:05 -105.509929 0.027005 BFGS: 351 15:10:06 -105.509927 0.018163 BFGS: 352 15:10:07 -105.509924 0.006302 BFGS: 353 15:10:07 -105.509921 0.001851 BFGS: 354 15:10:08 -105.509918 0.002876 BFGS: 355 15:10:09 -105.509915 0.001971 BFGS: 356 15:10:09 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1882 15:26:49 -105.509021 0.000591 BFGS: 1883 15:26:49 -105.509021 0.000563 BFGS: 1884 15:26:50 -105.509021 0.000594 BFGS: 1885 15:26:51 -105.509021 0.000561 BFGS: 1886 15:26:52 -105.509021 0.000597 BFGS: 1887 15:26:52 -105.509021 0.000564 BFGS: 1888 15:26:53 -105.509021 0.000594 BFGS: 1889 15:26:54 -105.509021 0.000567 BFGS: 1890 15:26:54 -105.509021 0.000592 BFGS: 1891 15:26:55 -105.509020 0.000565 BFGS: 1892 15:26:56 -105.509020 0.000595 BFGS: 1893 15:26:57 -105.509020 0.000562 BFGS: 1894 15:26:57 -105.509020 0.000598 BFGS: 1895 15:26:58 -105.509020 0.000565 BFGS: 1896 15:26:59 -105.509020 0.000595 BFGS: 1897 15:26:59 -105.509020 0.000568 BFGS: 1898 15:27:00 -105.509020 0.000593 BFGS: 1899 15:27:01 -105.509020 0.000566 BFGS: 1900 15:27:02 -105.509019 0.000596 BFGS: 1901 15:27:02 -105.509019 0.000563 BFGS: 1902 15:27:03 -105.509019 0.000599 BFGS: 1903 15:27:04 -105.509019 0.000566 BFGS: 1904 15:27:04 -105.509019 0.000597 BFGS: 1905 15:27:05 -105.509019 0.000569 BFGS: 1906 15:27:06 -105.509019 0.000594 BFGS: 1907 15:27:06 -105.509019 0.000567 BFGS: 1908 15:27:07 -105.509019 0.000597 BFGS: 1909 15:27:07 -105.509018 0.000564 BFGS: 1910 15:27:08 -105.509018 0.000600 BFGS: 1911 15:27:08 -105.509018 0.000567 BFGS: 1912 15:27:09 -105.509018 0.000598 BFGS: 1913 15:27:10 -105.509018 0.000570 BFGS: 1914 15:27:10 -105.509018 0.000595 BFGS: 1915 15:27:11 -105.509018 0.000568 BFGS: 1916 15:27:12 -105.509018 0.000598 BFGS: 1917 15:27:12 -105.509018 0.000565 BFGS: 1918 15:27:13 -105.509017 0.000601 BFGS: 1919 15:27:14 -105.509017 0.000568 BFGS: 1920 15:27:15 -105.509017 0.000599 BFGS: 1921 15:27:16 -105.509017 0.000571 BFGS: 1922 15:27:16 -105.509017 0.000596 BFGS: 1923 15:27:17 -105.509017 0.000569 BFGS: 1924 15:27:17 -105.509017 0.000599 BFGS: 1925 15:27:18 -105.509017 0.000566 BFGS: 1926 15:27:19 -105.509017 0.000602 BFGS: 1927 15:27:19 -105.509016 0.000569 BFGS: 1928 15:27:20 -105.509016 0.000600 BFGS: 1929 15:27:21 -105.509016 0.000572 BFGS: 1930 15:27:21 -105.509016 0.000597 BFGS: 1931 15:27:22 -105.509016 0.000571 BFGS: 1932 15:27:23 -105.509016 0.000599 BFGS: 1933 15:27:23 -105.509016 0.000568 BFGS: 1934 15:27:24 -105.509016 0.000603 BFGS: 1935 15:27:25 -105.509016 0.000570 BFGS: 1936 15:27:25 -105.509016 0.000601 BFGS: 1937 15:27:26 -105.509015 0.000573 BFGS: 1938 15:27:27 -105.509015 0.000598 BFGS: 1939 15:27:27 -105.509015 0.000572 BFGS: 1940 15:27:28 -105.509015 0.000600 BFGS: 1941 15:27:29 -105.509015 0.000569 BFGS: 1942 15:27:29 -105.509015 0.000604 BFGS: 1943 15:27:30 -105.509015 0.000572 BFGS: 1944 15:27:31 -105.509015 0.000602 BFGS: 1945 15:27:31 -105.509015 0.000575 BFGS: 1946 15:27:32 -105.509014 0.000599 BFGS: 1947 15:27:33 -105.509014 0.000573 BFGS: 1948 15:27:33 -105.509014 0.000601 BFGS: 1949 15:27:34 -105.509014 0.000570 BFGS: 1950 15:27:35 -105.509014 0.000605 BFGS: 1951 15:27:35 -105.509014 0.000573 BFGS: 1952 15:27:36 -105.509014 0.000603 BFGS: 1953 15:27:37 -105.509014 0.000576 BFGS: 1954 15:27:38 -105.509014 0.000600 BFGS: 1955 15:27:38 -105.509014 0.000574 BFGS: 1956 15:27:39 -105.509013 0.000602 BFGS: 1957 15:27:40 -105.509013 0.000571 BFGS: 1958 15:27:41 -105.509013 0.000606 BFGS: 1959 15:27:41 -105.509013 0.000574 BFGS: 1960 15:27:42 -105.509013 0.000604 BFGS: 1961 15:27:43 -105.509013 0.000577 BFGS: 1962 15:27:43 -105.509013 0.000601 BFGS: 1963 15:27:44 -105.509013 0.000575 BFGS: 1964 15:27:45 -105.509013 0.000603 BFGS: 1965 15:27:45 -105.509012 0.000572 BFGS: 1966 15:27:46 -105.509012 0.000607 BFGS: 1967 15:27:46 -105.509012 0.000575 BFGS: 1968 15:27:47 -105.509012 0.000605 BFGS: 1969 15:27:48 -105.509012 0.000578 BFGS: 1970 15:27:48 -105.509012 0.000602 BFGS: 1971 15:27:49 -105.509012 0.000576 BFGS: 1972 15:27:50 -105.509012 0.000604 BFGS: 1973 15:27:51 -105.509012 0.000573 BFGS: 1974 15:27:52 -105.509012 0.000608 BFGS: 1975 15:27:52 -105.509011 0.000576 BFGS: 1976 15:27:53 -105.509011 0.000606 BFGS: 1977 15:27:54 -105.509011 0.000579 BFGS: 1978 15:27:55 -105.509011 0.000603 BFGS: 1979 15:27:55 -105.509011 0.000577 BFGS: 1980 15:27:56 -105.509011 0.000605 BFGS: 1981 15:27:57 -105.509011 0.000574 BFGS: 1982 15:27:58 -105.509011 0.000608 BFGS: 1983 15:27:59 -105.509011 0.000576 BFGS: 1984 15:27:59 -105.509010 0.000607 BFGS: 1985 15:28:00 -105.509010 0.000580 BFGS: 1986 15:28:01 -105.509010 0.000604 BFGS: 1987 15:28:01 -105.509010 0.000578 BFGS: 1988 15:28:02 -105.509010 0.000606 BFGS: 1989 15:28:02 -105.509010 0.000575 BFGS: 1990 15:28:03 -105.509010 0.000609 BFGS: 1991 15:28:04 -105.509010 0.000577 BFGS: 1992 15:28:04 -105.509010 0.000607 BFGS: 1993 15:28:05 -105.509010 0.000581 BFGS: 1994 15:28:06 -105.509009 0.000605 BFGS: 1995 15:28:06 -105.509009 0.000579 BFGS: 1996 15:28:07 -105.509009 0.000606 BFGS: 1997 15:28:08 -105.509009 0.000576 BFGS: 1998 15:28:08 -105.509009 0.000610 BFGS: 1999 15:28:09 -105.509009 0.000578 BFGS: 2000 15:28:10 -105.509009 0.000608 BFGS: 2001 15:28:11 -105.509009 0.000582 BFGS: 2002 15:28:12 -105.509009 0.000606 BFGS: 2003 15:28:12 -105.509009 0.000580 BFGS: 2004 15:28:13 -105.509008 0.000607 BFGS: 2005 15:28:13 -105.509008 0.000577 BFGS: 2006 15:28:14 -105.509008 0.000611 BFGS: 2007 15:28:15 -105.509008 0.000579 BFGS: 2008 15:28:15 -105.509008 0.000609 BFGS: 2009 15:28:16 -105.509008 0.000583 BFGS: 2010 15:28:17 -105.509008 0.000606 BFGS: 2011 15:28:18 -105.509008 0.000581 BFGS: 2012 15:28:19 -105.509008 0.000608 BFGS: 2013 15:28:19 -105.509008 0.000578 BFGS: 2014 15:28:20 -105.509007 0.000612 BFGS: 2015 15:28:20 -105.509007 0.000580 BFGS: 2016 15:28:21 -105.509007 0.000610 BFGS: 2017 15:28:22 -105.509007 0.000583 BFGS: 2018 15:28:22 -105.509007 0.000607 BFGS: 2019 15:28:23 -105.509007 0.000582 BFGS: 2020 15:28:23 -105.509007 0.000609 BFGS: 2021 15:28:24 -105.509007 0.000579 BFGS: 2022 15:28:25 -105.509007 0.000613 BFGS: 2023 15:28:25 -105.509007 0.000581 BFGS: 2024 15:28:26 -105.509006 0.000611 BFGS: 2025 15:28:27 -105.509006 0.000584 BFGS: 2026 15:28:27 -105.509006 0.000608 BFGS: 2027 15:28:28 -105.509006 0.000583 BFGS: 2028 15:28:28 -105.509006 0.000610 BFGS: 2029 15:28:29 -105.509006 0.000580 BFGS: 2030 15:28:30 -105.509006 0.000613 BFGS: 2031 15:28:31 -105.509006 0.000582 BFGS: 2032 15:28:32 -105.509006 0.000612 BFGS: 2033 15:28:32 -105.509006 0.000585 BFGS: 2034 15:28:33 -105.509005 0.000609 BFGS: 2035 15:28:34 -105.509005 0.000584 BFGS: 2036 15:28:34 -105.509005 0.000610 BFGS: 2037 15:28:35 -105.509005 0.000581 BFGS: 2038 15:28:36 -105.509005 0.000614 BFGS: 2039 15:28:37 -105.509005 0.000583 BFGS: 2040 15:28:37 -105.509005 0.000613 BFGS: 2041 15:28:38 -105.509005 0.000586 BFGS: 2042 15:28:38 -105.509005 0.000610 BFGS: 2043 15:28:39 -105.509005 0.000585 BFGS: 2044 15:28:40 -105.509005 0.000611 BFGS: 2045 15:28:41 -105.509004 0.000582 BFGS: 2046 15:28:42 -105.509004 0.000615 BFGS: 2047 15:28:42 -105.509004 0.000584 BFGS: 2048 15:28:43 -105.509004 0.000614 BFGS: 2049 15:28:44 -105.509004 0.000587 BFGS: 2050 15:28:45 -105.509004 0.000611 BFGS: 2051 15:28:45 -105.509004 0.000586 BFGS: 2052 15:28:46 -105.509004 0.000612 BFGS: 2053 15:28:47 -105.509004 0.000583 BFGS: 2054 15:28:47 -105.509004 0.000616 BFGS: 2055 15:28:48 -105.509003 0.000584 BFGS: 2056 15:28:49 -105.509003 0.000614 BFGS: 2057 15:28:49 -105.509003 0.000588 BFGS: 2058 15:28:50 -105.509003 0.000611 BFGS: 2059 15:28:51 -105.509003 0.000587 BFGS: 2060 15:28:51 -105.509003 0.000613 BFGS: 2061 15:28:52 -105.509003 0.000584 BFGS: 2062 15:28:53 -105.509003 0.000616 BFGS: 2063 15:28:53 -105.509003 0.000585 BFGS: 2064 15:28:54 -105.509003 0.000615 BFGS: 2065 15:28:55 -105.509003 0.000589 BFGS: 2066 15:28:55 -105.509002 0.000612 BFGS: 2067 15:28:56 -105.509002 0.000588 BFGS: 2068 15:28:56 -105.509002 0.000613 BFGS: 2069 15:28:57 -105.509002 0.000585 BFGS: 2070 15:28:57 -105.509002 0.000617 BFGS: 2071 15:28:58 -105.509002 0.000586 BFGS: 2072 15:28:59 -105.509002 0.000616 BFGS: 2073 15:28:59 -105.509002 0.000590 BFGS: 2074 15:29:00 -105.509002 0.000613 BFGS: 2075 15:29:01 -105.509002 0.000589 BFGS: 2076 15:29:01 -105.509001 0.000614 BFGS: 2077 15:29:02 -105.509001 0.000586 BFGS: 2078 15:29:03 -105.509001 0.000618 BFGS: 2079 15:29:03 -105.509001 0.000587 BFGS: 2080 15:29:04 -105.509001 0.000617 BFGS: 2081 15:29:05 -105.509001 0.000590 BFGS: 2082 15:29:06 -105.509001 0.000614 BFGS: 2083 15:29:07 -105.509001 0.000590 BFGS: 2084 15:29:07 -105.509001 0.000615 BFGS: 2085 15:29:08 -105.509001 0.000586 BFGS: 2086 15:29:08 -105.509001 0.000618 BFGS: 2087 15:29:09 -105.509000 0.000588 BFGS: 2088 15:29:10 -105.509000 0.000618 BFGS: 2089 15:29:11 -105.509000 0.000591 BFGS: 2090 15:29:11 -105.509000 0.000615 BFGS: 2091 15:29:12 -105.509000 0.000591 BFGS: 2092 15:29:12 -105.509000 0.000615 BFGS: 2093 15:29:13 -105.509000 0.000587 BFGS: 2094 15:29:14 -105.509000 0.000619 BFGS: 2095 15:29:15 -105.509000 0.000588 BFGS: 2096 15:29:15 -105.509000 0.000618 BFGS: 2097 15:29:16 -105.509000 0.000592 BFGS: 2098 15:29:17 -105.508999 0.000615 BFGS: 2099 15:29:17 -105.508999 0.000591 BFGS: 2100 15:29:18 -105.508999 0.000616 BFGS: 2101 15:29:19 -105.508999 0.000588 BFGS: 2102 15:29:19 -105.508999 0.000620 BFGS: 2103 15:29:20 -105.508999 0.000589 BFGS: 2104 15:29:20 -105.508999 0.000619 BFGS: 2105 15:29:21 -105.508999 0.000593 BFGS: 2106 15:29:22 -105.508999 0.000616 BFGS: 2107 15:29:23 -105.508999 0.000592 BFGS: 2108 15:29:23 -105.508999 0.000617 BFGS: 2109 15:29:24 -105.508998 0.000589 BFGS: 2110 15:29:25 -105.508998 0.000620 BFGS: 2111 15:29:25 -105.508998 0.000590 BFGS: 2112 15:29:26 -105.508998 0.000620 BFGS: 2113 15:29:27 -105.508998 0.000593 BFGS: 2114 15:29:27 -105.508998 0.000617 BFGS: 2115 15:29:28 -105.508998 0.000593 BFGS: 2116 15:29:29 -105.508998 0.000617 BFGS: 2117 15:29:29 -105.508998 0.000590 BFGS: 2118 15:29:30 -105.508998 0.000621 BFGS: 2119 15:29:30 -105.508998 0.000590 BFGS: 2120 15:29:31 -105.508997 0.000621 BFGS: 2121 15:29:32 -105.508997 0.000594 BFGS: 2122 15:29:33 -105.508997 0.000618 BFGS: 2123 15:29:33 -105.508997 0.000594 BFGS: 2124 15:29:34 -105.508997 0.000618 BFGS: 2125 15:29:35 -105.508997 0.000591 BFGS: 2126 15:29:35 -105.508997 0.000622 BFGS: 2127 15:29:36 -105.508997 0.000591 BFGS: 2128 15:29:37 -105.508997 0.000621 BFGS: 2129 15:29:37 -105.508997 0.000595 BFGS: 2130 15:29:38 -105.508997 0.000618 BFGS: 2131 15:29:39 -105.508996 0.000595 BFGS: 2132 15:29:39 -105.508996 0.000618 BFGS: 2133 15:29:40 -105.508996 0.000592 BFGS: 2134 15:29:41 -105.508996 0.000622 BFGS: 2135 15:29:41 -105.508996 0.000592 BFGS: 2136 15:29:42 -105.508996 0.000622 BFGS: 2137 15:29:42 -105.508996 0.000596 BFGS: 2138 15:29:43 -105.508996 0.000619 BFGS: 2139 15:29:44 -105.508996 0.000596 BFGS: 2140 15:29:44 -105.508996 0.000619 BFGS: 2141 15:29:45 -105.508996 0.000592 BFGS: 2142 15:29:45 -105.508995 0.000623 BFGS: 2143 15:29:46 -105.508995 0.000593 BFGS: 2144 15:29:47 -105.508995 0.000623 BFGS: 2145 15:29:47 -105.508995 0.000596 BFGS: 2146 15:29:48 -105.508995 0.000620 BFGS: 2147 15:29:49 -105.508995 0.000596 BFGS: 2148 15:29:49 -105.508995 0.000620 BFGS: 2149 15:29:50 -105.508995 0.000593 BFGS: 2150 15:29:51 -105.508995 0.000623 BFGS: 2151 15:29:52 -105.508995 0.000593 BFGS: 2152 15:29:53 -105.508995 0.000624 BFGS: 2153 15:29:53 -105.508995 0.000597 BFGS: 2154 15:29:54 -105.508994 0.000620 BFGS: 2155 15:29:55 -105.508994 0.000597 BFGS: 2156 15:29:55 -105.508994 0.000620 BFGS: 2157 15:29:56 -105.508994 0.000594 BFGS: 2158 15:29:57 -105.508994 0.000624 BFGS: 2159 15:29:57 -105.508994 0.000594 BFGS: 2160 15:29:58 -105.508994 0.000624 BFGS: 2161 15:29:59 -105.508994 0.000598 BFGS: 2162 15:29:59 -105.508994 0.000621 BFGS: 2163 15:30:00 -105.508994 0.000598 BFGS: 2164 15:30:00 -105.508994 0.000621 BFGS: 2165 15:30:01 -105.508993 0.000595 BFGS: 2166 15:30:02 -105.508993 0.000625 BFGS: 2167 15:30:02 -105.508993 0.000595 BFGS: 2168 15:30:03 -105.508993 0.000625 BFGS: 2169 15:30:04 -105.508993 0.000598 BFGS: 2170 15:30:05 -105.508993 0.000622 BFGS: 2171 15:30:05 -105.508993 0.000599 BFGS: 2172 15:30:06 -105.508993 0.000621 BFGS: 2173 15:30:07 -105.508993 0.000596 BFGS: 2174 15:30:07 -105.508993 0.000625 BFGS: 2175 15:30:08 -105.508993 0.000595 BFGS: 2176 15:30:09 -105.508993 0.000626 BFGS: 2177 15:30:09 -105.508992 0.000599 BFGS: 2178 15:30:10 -105.508992 0.000622 BFGS: 2179 15:30:11 -105.508992 0.000599 BFGS: 2180 15:30:11 -105.508992 0.000622 BFGS: 2181 15:30:12 -105.508992 0.000596 BFGS: 2182 15:30:13 -105.508992 0.000626 BFGS: 2183 15:30:14 -105.508992 0.000596 BFGS: 2184 15:30:15 -105.508992 0.000626 BFGS: 2185 15:30:15 -105.508992 0.000600 BFGS: 2186 15:30:16 -105.508992 0.000623 BFGS: 2187 15:30:17 -105.508992 0.000600 BFGS: 2188 15:30:17 -105.508992 0.000622 BFGS: 2189 15:30:18 -105.508991 0.000597 BFGS: 2190 15:30:19 -105.508991 0.000626 BFGS: 2191 15:30:19 -105.508991 0.000596 BFGS: 2192 15:30:20 -105.508991 0.000627 BFGS: 2193 15:30:21 -105.508991 0.000600 BFGS: 2194 15:30:21 -105.508991 0.000624 BFGS: 2195 15:30:22 -105.508991 0.000601 BFGS: 2196 15:30:23 -105.508991 0.000623 BFGS: 2197 15:30:23 -105.508991 0.000598 BFGS: 2198 15:30:24 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0.000720 BFGS: 9815 16:24:12 -105.508848 0.000720 BFGS: 9816 16:24:12 -105.508848 0.000720 BFGS: 9817 16:24:12 -105.508848 0.000720 BFGS: 9818 16:24:12 -105.508848 0.000720 BFGS: 9819 16:24:13 -105.508848 0.000720 BFGS: 9820 16:24:13 -105.508848 0.000720 BFGS: 9821 16:24:13 -105.508848 0.000720 BFGS: 9822 16:24:13 -105.508848 0.000720 BFGS: 9823 16:24:13 -105.508848 0.000720 BFGS: 9824 16:24:13 -105.508848 0.000720 BFGS: 9825 16:24:14 -105.508848 0.000720 BFGS: 9826 16:24:14 -105.508848 0.000720 BFGS: 9827 16:24:14 -105.508848 0.000720 BFGS: 9828 16:24:14 -105.508847 0.000720 BFGS: 9829 16:24:14 -105.508847 0.000720 BFGS: 9830 16:24:14 -105.508847 0.000720 BFGS: 9831 16:24:15 -105.508847 0.000720 BFGS: 9832 16:24:15 -105.508847 0.000720 BFGS: 9833 16:24:15 -105.508847 0.000720 BFGS: 9834 16:24:15 -105.508847 0.000720 BFGS: 9835 16:24:15 -105.508847 0.000720 BFGS: 9836 16:24:16 -105.508847 0.000720 BFGS: 9837 16:24:16 -105.508847 0.000720 BFGS: 9838 16:24:16 -105.508847 0.000720 BFGS: 9839 16:24:16 -105.508847 0.000720 BFGS: 9840 16:24:16 -105.508847 0.000720 BFGS: 9841 16:24:16 -105.508847 0.000720 BFGS: 9842 16:24:17 -105.508847 0.000720 BFGS: 9843 16:24:17 -105.508847 0.000720 BFGS: 9844 16:24:17 -105.508847 0.000720 BFGS: 9845 16:24:17 -105.508847 0.000720 BFGS: 9846 16:24:17 -105.508847 0.000720 BFGS: 9847 16:24:17 -105.508847 0.000720 BFGS: 9848 16:24:18 -105.508847 0.000720 BFGS: 9849 16:24:18 -105.508847 0.000720 BFGS: 9850 16:24:18 -105.508847 0.000720 BFGS: 9851 16:24:18 -105.508847 0.000720 BFGS: 9852 16:24:18 -105.508847 0.000720 BFGS: 9853 16:24:19 -105.508847 0.000720 BFGS: 9854 16:24:19 -105.508847 0.000720 BFGS: 9855 16:24:19 -105.508847 0.000720 BFGS: 9856 16:24:19 -105.508847 0.000720 BFGS: 9857 16:24:19 -105.508847 0.000720 BFGS: 9858 16:24:19 -105.508847 0.000720 BFGS: 9859 16:24:20 -105.508847 0.000720 BFGS: 9860 16:24:20 -105.508847 0.000720 BFGS: 9861 16:24:20 -105.508847 0.000720 BFGS: 9862 16:24:20 -105.508847 0.000720 BFGS: 9863 16:24:20 -105.508847 0.000720 BFGS: 9864 16:24:20 -105.508847 0.000720 BFGS: 9865 16:24:21 -105.508847 0.000720 BFGS: 9866 16:24:21 -105.508847 0.000720 BFGS: 9867 16:24:21 -105.508847 0.000720 BFGS: 9868 16:24:21 -105.508847 0.000720 BFGS: 9869 16:24:21 -105.508847 0.000720 BFGS: 9870 16:24:22 -105.508847 0.000720 BFGS: 9871 16:24:22 -105.508847 0.000720 BFGS: 9872 16:24:22 -105.508847 0.000720 BFGS: 9873 16:24:22 -105.508847 0.000720 BFGS: 9874 16:24:22 -105.508847 0.000720 BFGS: 9875 16:24:22 -105.508847 0.000720 BFGS: 9876 16:24:23 -105.508847 0.000720 BFGS: 9877 16:24:23 -105.508847 0.000720 BFGS: 9878 16:24:23 -105.508847 0.000720 BFGS: 9879 16:24:23 -105.508847 0.000720 BFGS: 9880 16:24:23 -105.508847 0.000720 BFGS: 9881 16:24:23 -105.508847 0.000720 BFGS: 9882 16:24:24 -105.508847 0.000720 BFGS: 9883 16:24:24 -105.508847 0.000720 BFGS: 9884 16:24:24 -105.508847 0.000720 BFGS: 9885 16:24:24 -105.508847 0.000720 BFGS: 9886 16:24:24 -105.508847 0.000720 BFGS: 9887 16:24:24 -105.508847 0.000720 BFGS: 9888 16:24:25 -105.508847 0.000720 BFGS: 9889 16:24:25 -105.508847 0.000720 BFGS: 9890 16:24:25 -105.508847 0.000720 BFGS: 9891 16:24:25 -105.508847 0.000720 BFGS: 9892 16:24:25 -105.508847 0.000720 BFGS: 9893 16:24:26 -105.508847 0.000720 BFGS: 9894 16:24:26 -105.508847 0.000720 BFGS: 9895 16:24:26 -105.508847 0.000720 BFGS: 9896 16:24:26 -105.508847 0.000720 BFGS: 9897 16:24:26 -105.508847 0.000720 BFGS: 9898 16:24:26 -105.508847 0.000720 BFGS: 9899 16:24:27 -105.508847 0.000720 BFGS: 9900 16:24:27 -105.508847 0.000720 BFGS: 9901 16:24:27 -105.508847 0.000720 BFGS: 9902 16:24:27 -105.508847 0.000720 BFGS: 9903 16:24:27 -105.508847 0.000720 BFGS: 9904 16:24:27 -105.508847 0.000720 BFGS: 9905 16:24:28 -105.508847 0.000720 BFGS: 9906 16:24:28 -105.508847 0.000720 BFGS: 9907 16:24:28 -105.508847 0.000720 BFGS: 9908 16:24:28 -105.508847 0.000720 BFGS: 9909 16:24:28 -105.508847 0.000720 BFGS: 9910 16:24:29 -105.508847 0.000720 BFGS: 9911 16:24:29 -105.508847 0.000720 BFGS: 9912 16:24:29 -105.508847 0.000720 BFGS: 9913 16:24:29 -105.508847 0.000720 BFGS: 9914 16:24:29 -105.508847 0.000720 BFGS: 9915 16:24:29 -105.508847 0.000720 BFGS: 9916 16:24:30 -105.508847 0.000720 BFGS: 9917 16:24:30 -105.508847 0.000720 BFGS: 9918 16:24:30 -105.508847 0.000720 BFGS: 9919 16:24:30 -105.508847 0.000720 BFGS: 9920 16:24:30 -105.508847 0.000720 BFGS: 9921 16:24:30 -105.508847 0.000720 BFGS: 9922 16:24:31 -105.508847 0.000720 BFGS: 9923 16:24:31 -105.508847 0.000720 BFGS: 9924 16:24:31 -105.508847 0.000720 BFGS: 9925 16:24:31 -105.508847 0.000720 BFGS: 9926 16:24:31 -105.508847 0.000720 BFGS: 9927 16:24:32 -105.508847 0.000720 BFGS: 9928 16:24:32 -105.508847 0.000720 BFGS: 9929 16:24:32 -105.508847 0.000720 BFGS: 9930 16:24:32 -105.508847 0.000720 BFGS: 9931 16:24:32 -105.508847 0.000720 BFGS: 9932 16:24:32 -105.508847 0.000720 BFGS: 9933 16:24:33 -105.508847 0.000720 BFGS: 9934 16:24:33 -105.508847 0.000720 BFGS: 9935 16:24:33 -105.508847 0.000720 BFGS: 9936 16:24:33 -105.508847 0.000720 BFGS: 9937 16:24:33 -105.508847 0.000720 BFGS: 9938 16:24:33 -105.508847 0.000720 BFGS: 9939 16:24:34 -105.508847 0.000720 BFGS: 9940 16:24:34 -105.508847 0.000720 BFGS: 9941 16:24:34 -105.508847 0.000720 BFGS: 9942 16:24:34 -105.508847 0.000720 BFGS: 9943 16:24:34 -105.508847 0.000720 BFGS: 9944 16:24:34 -105.508847 0.000720 BFGS: 9945 16:24:35 -105.508847 0.000720 BFGS: 9946 16:24:35 -105.508847 0.000720 BFGS: 9947 16:24:35 -105.508847 0.000720 BFGS: 9948 16:24:35 -105.508847 0.000720 BFGS: 9949 16:24:35 -105.508847 0.000720 BFGS: 9950 16:24:36 -105.508847 0.000720 BFGS: 9951 16:24:36 -105.508847 0.000720 BFGS: 9952 16:24:36 -105.508847 0.000720 BFGS: 9953 16:24:36 -105.508847 0.000720 BFGS: 9954 16:24:36 -105.508847 0.000720 BFGS: 9955 16:24:36 -105.508847 0.000720 BFGS: 9956 16:24:37 -105.508847 0.000720 BFGS: 9957 16:24:37 -105.508847 0.000720 BFGS: 9958 16:24:37 -105.508847 0.000720 BFGS: 9959 16:24:37 -105.508847 0.000720 BFGS: 9960 16:24:37 -105.508847 0.000720 BFGS: 9961 16:24:37 -105.508847 0.000720 BFGS: 9962 16:24:38 -105.508847 0.000720 BFGS: 9963 16:24:38 -105.508847 0.000720 BFGS: 9964 16:24:38 -105.508847 0.000720 BFGS: 9965 16:24:38 -105.508847 0.000720 BFGS: 9966 16:24:38 -105.508847 0.000720 BFGS: 9967 16:24:38 -105.508847 0.000720 BFGS: 9968 16:24:38 -105.508847 0.000720 BFGS: 9969 16:24:39 -105.508847 0.000720 BFGS: 9970 16:24:39 -105.508847 0.000720 BFGS: 9971 16:24:39 -105.508847 0.000720 BFGS: 9972 16:24:39 -105.508847 0.000720 BFGS: 9973 16:24:39 -105.508847 0.000720 BFGS: 9974 16:24:39 -105.508847 0.000720 BFGS: 9975 16:24:39 -105.508847 0.000720 BFGS: 9976 16:24:40 -105.508847 0.000720 BFGS: 9977 16:24:40 -105.508847 0.000720 BFGS: 9978 16:24:40 -105.508847 0.000720 BFGS: 9979 16:24:40 -105.508847 0.000720 BFGS: 9980 16:24:40 -105.508847 0.000720 BFGS: 9981 16:24:40 -105.508847 0.000720 BFGS: 9982 16:24:41 -105.508847 0.000720 BFGS: 9983 16:24:41 -105.508847 0.000720 BFGS: 9984 16:24:41 -105.508847 0.000720 BFGS: 9985 16:24:41 -105.508847 0.000720 BFGS: 9986 16:24:41 -105.508847 0.000720 BFGS: 9987 16:24:41 -105.508847 0.000720 BFGS: 9988 16:24:41 -105.508847 0.000720 BFGS: 9989 16:24:42 -105.508847 0.000720 BFGS: 9990 16:24:42 -105.508847 0.000720 BFGS: 9991 16:24:42 -105.508847 0.000720 BFGS: 9992 16:24:42 -105.508847 0.000720 BFGS: 9993 16:24:42 -105.508847 0.000720 BFGS: 9994 16:24:42 -105.508847 0.000720 BFGS: 9995 16:24:43 -105.508847 0.000720 BFGS: 9996 16:24:43 -105.508847 0.000720 BFGS: 9997 16:24:43 -105.508847 0.000720 BFGS: 9998 16:24:43 -105.508847 0.000720 BFGS: 9999 16:24:43 -105.508847 0.000720 BFGS: 10000 16:24:43 -105.508847 0.000720 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.00019470945414765977 eV/Angstrom Maximum stress component: 3.7115347990018514e-05 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'U', 'U', 'U', 'U', 'U', 'U', 'U', 'U'] basis = [[3.33333330e-01 6.66666670e-01 6.24881803e-01] [6.66666663e-01 3.33333337e-01 1.24881803e-01] [6.66666663e-01 3.33333337e-01 3.75118197e-01] [3.33333330e-01 6.66666670e-01 8.75118197e-01] [4.99999997e-01 3.33333357e-09 9.64970796e-17] [9.99999997e-01 5.00000003e-01 9.64970796e-17] [4.99999997e-01 5.00000003e-01 9.64970796e-17] [4.99999997e-01 3.33333357e-09 5.00000000e-01] [9.99999997e-01 5.00000003e-01 5.00000000e-01] [4.99999997e-01 5.00000003e-01 5.00000000e-01] [8.33005821e-01 6.66011652e-01 2.50000000e-01] [3.33988348e-01 1.66994179e-01 2.50000000e-01] [8.33005821e-01 1.66994179e-01 2.50000000e-01] [1.66994173e-01 3.33988355e-01 7.50000000e-01] [6.66011645e-01 8.33005827e-01 7.50000000e-01] [1.66994173e-01 8.33005827e-01 7.50000000e-01] [9.99999997e-01 3.33333357e-09 9.34272543e-02] [9.99999997e-01 3.33333357e-09 5.93427254e-01] [9.99999997e-01 3.33333357e-09 9.06572746e-01] [9.99999997e-01 3.33333357e-09 4.06572746e-01] [3.33333330e-01 6.66666670e-01 3.43379488e-01] [6.66666663e-01 3.33333337e-01 8.43379488e-01] [6.66666663e-01 3.33333337e-01 6.56620512e-01] [3.33333330e-01 6.66666670e-01 1.56620512e-01]] cellpar = Cell([[5.405197246706608, -2.0185267804705678e-17, -4.216499064173739e-36], [-2.702598623353304, 4.681038128111622, -1.0434771572153933e-35], [-2.3212506896989717e-35, -5.948999234219907e-35, 17.880300033658106]]) forces = [[ 2.13947895e-25 1.13439375e-25 -1.53806849e-04] [ 3.11461561e-25 -5.54592498e-26 -1.53806849e-04] [-3.07095277e-25 4.78966248e-26 1.53806849e-04] [-2.18314178e-25 -1.05876750e-25 1.53806849e-04] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 5.59827288e-21 1.37082791e-04 -1.92581218e-26] [-1.18717180e-04 -6.85413956e-05 2.76268476e-40] [ 1.18717180e-04 -6.85413956e-05 -3.85162436e-26] [ 3.55848743e-21 -1.37082791e-04 3.85162436e-26] [ 1.18717180e-04 6.85413956e-05 -2.76268476e-40] [-1.18717180e-04 6.85413956e-05 3.85162436e-26] [-2.38690168e-25 1.51252499e-25 -1.94709454e-04] [ 1.51364497e-25 -1.00835000e-25 -1.94709454e-04] [ 1.51364497e-25 -1.00835000e-25 1.94709454e-04] [-3.49302685e-25 1.81502999e-25 1.94709454e-04] [ 1.74651343e-25 -1.41168999e-25 -1.68379032e-04] [-2.32868457e-26 -1.21002000e-25 -1.68379032e-04] [ 1.04790806e-25 -2.01669999e-26 1.68379032e-04] [ 2.32868457e-25 -4.03339999e-26 1.68379032e-04]] stress = [ 5.44006575e-06 5.44006575e-06 -3.71153480e-05 -1.00533836e-31 1.74129675e-31 1.04635230e-21] energy per atom = -4.39620194934501 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0