element(s): ['Ag', 'O'] AFLOW prototype label: A3B4_mP14_14_ae_2e Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.9032', '1.5834293', '0.97636875', '142.9688', '0.71032317', '0.64231624', '0.7602652', '0.52075613', '0.54790584', '0.29360513', '0.95922635', '0.81066349', '0.78473'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag', 'Ag', 'O', 'O'] representative atom coordinates = [[0. 0. 0. ] [0.28967683 0.64231624 0.95005797] [0.47924387 0.54790584 0.227151 ] [0.04077365 0.81066349 0.17449635]] spacegroup = 14 cell = [[3.7073, 0, 0], [0, 9.3473, 0], [1.6341626024692, 0, 5.527182851932]] ========================================= Step Time Energy fmax BFGS: 0 11:20:42 -129.378521 7.525477 BFGS: 1 11:20:42 -130.994448 7.880288 BFGS: 2 11:20:42 -132.420053 8.191275 BFGS: 3 11:20:42 -133.846199 8.501339 BFGS: 4 11:20:42 -135.296791 8.829496 BFGS: 5 11:20:43 -136.779672 9.169933 BFGS: 6 11:20:43 -138.306473 9.514663 BFGS: 7 11:20:43 -139.883972 9.864914 BFGS: 8 11:20:43 -141.516546 10.213141 BFGS: 9 11:20:43 -143.208890 10.556410 BFGS: 10 11:20:43 -144.964680 10.894990 BFGS: 11 11:20:43 -146.784800 11.221885 BFGS: 12 11:20:43 -148.664178 11.524137 BFGS: 13 11:20:43 -150.596172 11.803897 BFGS: 14 11:20:43 -152.566563 12.037264 BFGS: 15 11:20:44 -154.563558 12.225057 BFGS: 16 11:20:44 -156.562509 12.339722 BFGS: 17 11:20:44 -158.563058 12.432804 BFGS: 18 11:20:44 -160.500970 12.399677 BFGS: 19 11:20:44 -162.454239 12.344545 BFGS: 20 11:20:44 -164.406118 12.245925 BFGS: 21 11:20:45 -166.347573 12.100155 BFGS: 22 11:20:45 -168.285024 11.909492 BFGS: 23 11:20:45 -170.218786 11.670303 BFGS: 24 11:20:45 -172.150794 11.390518 BFGS: 25 11:20:45 -174.034986 11.062329 BFGS: 26 11:20:45 -175.861536 10.682041 BFGS: 27 11:20:46 -177.627478 10.589531 BFGS: 28 11:20:46 -179.323137 10.697492 BFGS: 29 11:20:46 -180.961761 10.806952 BFGS: 30 11:20:47 -182.539203 10.918156 BFGS: 31 11:20:47 -184.090254 11.060245 BFGS: 32 11:20:47 -185.573931 11.159544 BFGS: 33 11:20:47 -187.099719 11.348967 BFGS: 34 11:20:47 -188.592791 11.499672 BFGS: 35 11:20:48 -190.088169 11.634062 BFGS: 36 11:20:48 -191.608565 11.782513 BFGS: 37 11:20:48 -193.162609 11.996932 BFGS: 38 11:20:48 -194.769654 12.668474 BFGS: 39 11:20:48 -196.454694 13.360933 BFGS: 40 11:20:48 -198.251169 14.069895 BFGS: 41 11:20:48 -200.211259 14.799508 BFGS: 42 11:20:49 -202.411764 15.556246 BFGS: 43 11:20:49 -204.949947 16.346719 BFGS: 44 11:20:49 -207.786521 17.125639 BFGS: 45 11:20:49 -210.940180 18.331747 BFGS: 46 11:20:49 -214.352612 19.140876 BFGS: 47 11:20:50 -217.671779 18.804470 BFGS: 48 11:20:50 -220.582794 18.609648 BFGS: 49 11:20:50 -223.104334 18.009409 BFGS: 50 11:20:50 -225.529500 16.992020 BFGS: 51 11:20:50 -227.840466 15.671623 BFGS: 52 11:20:50 -229.911502 14.200811 BFGS: 53 11:20:51 -231.641717 12.640208 BFGS: 54 11:20:51 -232.933995 10.938909 BFGS: 55 11:20:51 -233.605931 9.482733 BFGS: 56 11:20:51 -233.986188 8.319073 BFGS: 57 11:20:51 -234.340615 7.420763 BFGS: 58 11:20:52 -234.698605 7.119634 BFGS: 59 11:20:52 -235.059885 7.121618 BFGS: 60 11:20:52 -235.411874 7.021092 BFGS: 61 11:20:53 -235.750692 6.922360 BFGS: 62 11:20:53 -236.066460 6.723378 BFGS: 63 11:20:53 -236.358842 6.540450 BFGS: 64 11:20:53 -236.623052 6.241391 BFGS: 65 11:20:53 -236.866650 5.966696 BFGS: 66 11:20:53 -237.088833 5.566424 BFGS: 67 11:20:54 -237.303456 5.214755 BFGS: 68 11:20:54 -237.508364 4.775093 BFGS: 69 11:20:54 -237.715062 4.383207 BFGS: 70 11:20:54 -237.919732 3.964749 BFGS: 71 11:20:54 -238.129434 3.595825 BFGS: 72 11:20:55 -238.339729 3.672268 BFGS: 73 11:20:55 -238.554133 3.915397 BFGS: 74 11:20:55 -238.770113 4.142929 BFGS: 75 11:20:55 -238.990692 4.351741 BFGS: 76 11:20:56 -239.213686 4.548644 BFGS: 77 11:20:56 -239.440958 4.733155 BFGS: 78 11:20:56 -239.669217 4.912755 BFGS: 79 11:20:56 -239.899975 5.083398 BFGS: 80 11:20:57 -240.132554 5.255951 BFGS: 81 11:20:57 -240.367629 5.418519 BFGS: 82 11:20:57 -240.605390 5.572859 BFGS: 83 11:20:57 -240.845609 5.718418 BFGS: 84 11:20:57 -241.088434 5.850923 BFGS: 85 11:20:58 -241.333947 5.968865 BFGS: 86 11:20:58 -241.581826 6.066499 BFGS: 87 11:20:58 -241.831424 6.150131 BFGS: 88 11:20:58 -242.082460 6.206251 BFGS: 89 11:20:59 -242.334820 6.226084 BFGS: 90 11:20:59 -242.587940 6.202358 BFGS: 91 11:20:59 -242.840654 6.137729 BFGS: 92 11:20:59 -243.092521 6.023902 BFGS: 93 11:21:00 -243.342758 5.856443 BFGS: 94 11:21:00 -243.590597 5.629828 BFGS: 95 11:21:00 -243.835905 5.338295 BFGS: 96 11:21:00 -244.077644 4.985805 BFGS: 97 11:21:00 -244.314881 4.578464 BFGS: 98 11:21:01 -244.547576 4.136751 BFGS: 99 11:21:01 -244.775076 3.665216 BFGS: 100 11:21:01 -244.998157 3.263995 BFGS: 101 11:21:01 -245.216637 3.379483 BFGS: 102 11:21:02 -245.432587 3.470379 BFGS: 103 11:21:02 -245.645998 3.564461 BFGS: 104 11:21:02 -245.858439 3.668212 BFGS: 105 11:21:02 -246.071867 3.778442 BFGS: 106 11:21:03 -246.285602 3.923832 BFGS: 107 11:21:03 -246.505053 4.033932 BFGS: 108 11:21:03 -246.728845 4.158369 BFGS: 109 11:21:03 -246.952974 4.184515 BFGS: 110 11:21:04 -247.178454 4.221137 BFGS: 111 11:21:04 -247.403161 4.287829 BFGS: 112 11:21:04 -247.630574 4.321119 BFGS: 113 11:21:04 -247.857764 4.343017 BFGS: 114 11:21:05 -248.084416 4.719318 BFGS: 115 11:21:05 -248.308542 5.069635 BFGS: 116 11:21:05 -248.529757 5.428358 BFGS: 117 11:21:06 -248.746488 5.750785 BFGS: 118 11:21:06 -248.958004 6.096081 BFGS: 119 11:21:06 -249.162603 6.390519 BFGS: 120 11:21:07 -249.359628 6.720367 BFGS: 121 11:21:07 -249.549512 6.992512 BFGS: 122 11:21:07 -249.729197 7.326037 BFGS: 123 11:21:08 -249.901297 7.588070 BFGS: 124 11:21:08 -250.061811 7.918955 BFGS: 125 11:21:08 -250.214839 8.185840 BFGS: 126 11:21:08 -250.355276 8.502513 BFGS: 127 11:21:08 -250.488203 8.773693 BFGS: 128 11:21:09 -250.608679 9.079397 BFGS: 129 11:21:09 -250.723357 9.347407 BFGS: 130 11:21:09 -250.825770 9.645640 BFGS: 131 11:21:09 -250.925352 9.896201 BFGS: 132 11:21:09 -251.013299 10.184619 BFGS: 133 11:21:09 -251.101367 10.406656 BFGS: 134 11:21:10 -251.179446 10.670804 BFGS: 135 11:21:10 -251.258958 10.866470 BFGS: 136 11:21:10 -251.332882 11.085703 BFGS: 137 11:21:10 -251.408126 11.248295 BFGS: 138 11:21:10 -251.480880 11.414975 BFGS: 139 11:21:11 -251.555241 11.538510 BFGS: 140 11:21:11 -251.629801 11.647618 BFGS: 141 11:21:11 -251.707214 11.718083 BFGS: 142 11:21:12 -251.785983 11.768306 BFGS: 143 11:21:12 -251.867456 11.792924 BFGS: 144 11:21:12 -251.953118 11.785228 BFGS: 145 11:21:12 -252.042936 11.751543 BFGS: 146 11:21:12 -252.137175 11.684696 BFGS: 147 11:21:13 -252.236048 11.590045 BFGS: 148 11:21:13 -252.339638 11.459311 BFGS: 149 11:21:13 -252.447986 11.295240 BFGS: 150 11:21:13 -252.560813 11.091546 BFGS: 151 11:21:13 -252.677653 10.846275 BFGS: 152 11:21:14 -252.797917 10.555032 BFGS: 153 11:21:14 -252.920810 10.216094 BFGS: 154 11:21:14 -253.046094 9.813335 BFGS: 155 11:21:14 -253.173494 9.336794 BFGS: 156 11:21:14 -253.301713 8.771093 BFGS: 157 11:21:15 -253.432271 8.071919 BFGS: 158 11:21:15 -253.566643 7.178831 BFGS: 159 11:21:15 -253.685277 6.397890 BFGS: 160 11:21:15 -253.829237 5.955955 BFGS: 161 11:21:15 -254.035959 5.947311 BFGS: 162 11:21:16 -254.294361 6.389174 BFGS: 163 11:21:16 -254.558151 6.979823 BFGS: 164 11:21:16 -254.799501 7.489627 BFGS: 165 11:21:16 -254.994761 7.796832 BFGS: 166 11:21:16 -255.179633 8.053981 BFGS: 167 11:21:17 -255.353048 8.256087 BFGS: 168 11:21:17 -255.521943 8.446940 BFGS: 169 11:21:17 -255.686041 8.619011 BFGS: 170 11:21:17 -255.847958 8.788537 BFGS: 171 11:21:17 -256.005768 8.946901 BFGS: 172 11:21:17 -256.160721 9.103954 BFGS: 173 11:21:18 -256.311250 9.253005 BFGS: 174 11:21:18 -256.456164 9.396010 BFGS: 175 11:21:18 -256.596899 9.534269 BFGS: 176 11:21:18 -256.730493 9.666554 BFGS: 177 11:21:19 -256.859987 9.787287 BFGS: 178 11:21:19 -256.979216 9.909632 BFGS: 179 11:21:19 -257.096851 10.007581 BFGS: 180 11:21:19 -257.202699 10.124112 BFGS: 181 11:21:19 -257.310040 10.196408 BFGS: 182 11:21:19 -257.403508 10.317296 BFGS: 183 11:21:19 -257.505093 10.357038 BFGS: 184 11:21:20 -257.592465 10.480276 BFGS: 185 11:21:20 -257.693691 10.508802 BFGS: 186 11:21:20 -257.785917 10.608873 BFGS: 187 11:21:20 -257.894398 10.645558 BFGS: 188 11:21:20 -258.004271 10.711738 BFGS: 189 11:21:20 -258.130987 10.744349 BFGS: 190 11:21:20 -258.265433 10.789706 BFGS: 191 11:21:20 -258.420193 10.809753 BFGS: 192 11:21:20 -258.585997 10.823122 BFGS: 193 11:21:20 -258.774481 10.807945 BFGS: 194 11:21:20 -258.974777 10.768759 BFGS: 195 11:21:20 -259.198023 10.685038 BFGS: 196 11:21:20 -259.429227 10.557135 BFGS: 197 11:21:21 -259.681875 10.352512 BFGS: 198 11:21:21 -259.941568 10.032685 BFGS: 199 11:21:21 -260.211373 9.620334 BFGS: 200 11:21:21 -260.510899 8.749809 BFGS: 201 11:21:21 -260.753069 8.168217 BFGS: 202 11:21:21 -261.073503 6.252430 BFGS: 203 11:21:21 -261.386125 4.333051 BFGS: 204 11:21:21 -261.642442 3.092925 BFGS: 205 11:21:22 -261.859850 2.764904 BFGS: 206 11:21:22 -262.066171 1.533262 BFGS: 207 11:21:22 -262.118290 1.456068 BFGS: 208 11:21:22 -262.142202 0.682030 BFGS: 209 11:21:22 -262.157656 0.570794 BFGS: 210 11:21:22 -262.162465 0.683985 BFGS: 211 11:21:22 -262.162995 0.781899 BFGS: 212 11:21:23 -262.163263 0.813336 BFGS: 213 11:21:23 -262.163393 0.812129 BFGS: 214 11:21:23 -262.163495 0.797959 BFGS: 215 11:21:23 -262.163613 0.779441 BFGS: 216 11:21:23 -262.163817 0.753345 BFGS: 217 11:21:23 -262.164172 0.719985 BFGS: 218 11:21:23 -262.164719 0.694814 BFGS: 219 11:21:24 -262.165682 0.675232 BFGS: 220 11:21:24 -262.167208 0.673423 BFGS: 221 11:21:24 -262.169391 0.681806 BFGS: 222 11:21:24 -262.171792 0.687920 BFGS: 223 11:21:24 -262.174371 0.691641 BFGS: 224 11:21:24 -262.177085 0.692337 BFGS: 225 11:21:25 -262.179888 0.694239 BFGS: 226 11:21:25 -262.182756 0.692228 BFGS: 227 11:21:25 -262.185675 0.689582 BFGS: 228 11:21:25 -262.188627 0.686877 BFGS: 229 11:21:25 -262.191603 0.683383 BFGS: 230 11:21:25 -262.194597 0.679746 BFGS: 231 11:21:26 -262.197603 0.675967 BFGS: 232 11:21:26 -262.200616 0.672119 BFGS: 233 11:21:26 -262.203631 0.668235 BFGS: 234 11:21:26 -262.206646 0.664337 BFGS: 235 11:21:26 -262.209658 0.660440 BFGS: 236 11:21:26 -262.212665 0.656559 BFGS: 237 11:21:26 -262.215666 0.652717 BFGS: 238 11:21:27 -262.218660 0.648939 BFGS: 239 11:21:27 -262.221646 0.645259 BFGS: 240 11:21:27 -262.224633 0.643991 BFGS: 241 11:21:27 -262.227606 0.640323 BFGS: 242 11:21:27 -262.230567 0.636957 BFGS: 243 11:21:27 -262.233518 0.633918 BFGS: 244 11:21:28 -262.236456 0.631142 BFGS: 245 11:21:28 -262.239382 0.628689 BFGS: 246 11:21:28 -262.242292 0.626599 BFGS: 247 11:21:28 -262.245184 0.624920 BFGS: 248 11:21:28 -262.248058 0.627477 BFGS: 249 11:21:28 -262.250909 0.659335 BFGS: 250 11:21:28 -262.253739 0.692206 BFGS: 251 11:21:29 -262.256553 0.725769 BFGS: 252 11:21:29 -262.259330 0.759899 BFGS: 253 11:21:29 -262.262074 0.794332 BFGS: 254 11:21:29 -262.264786 0.828888 BFGS: 255 11:21:29 -262.267464 0.863374 BFGS: 256 11:21:30 -262.270106 0.897577 BFGS: 257 11:21:30 -262.272723 0.925353 BFGS: 258 11:21:30 -262.275261 0.963322 BFGS: 259 11:21:30 -262.277799 0.995323 BFGS: 260 11:21:30 -262.280301 1.012693 BFGS: 261 11:21:30 -262.282652 1.054230 BFGS: 262 11:21:31 -262.285054 1.083602 BFGS: 263 11:21:31 -262.287441 1.110366 BFGS: 264 11:21:31 -262.289810 1.134382 BFGS: 265 11:21:31 -262.292164 1.155639 BFGS: 266 11:21:31 -262.294508 1.173816 BFGS: 267 11:21:31 -262.296850 1.188653 BFGS: 268 11:21:31 -262.299199 1.199897 BFGS: 269 11:21:32 -262.301562 1.207332 BFGS: 270 11:21:32 -262.303948 1.210778 BFGS: 271 11:21:32 -262.306365 1.210107 BFGS: 272 11:21:32 -262.308819 1.205245 BFGS: 273 11:21:32 -262.311318 1.196186 BFGS: 274 11:21:33 -262.313866 1.182997 BFGS: 275 11:21:33 -262.316467 1.165824 BFGS: 276 11:21:33 -262.319127 1.140214 BFGS: 277 11:21:33 -262.321809 1.118044 BFGS: 278 11:21:33 -262.324551 1.091728 BFGS: 279 11:21:33 -262.327343 1.062638 BFGS: 280 11:21:33 -262.330183 1.031294 BFGS: 281 11:21:34 -262.333064 0.998300 BFGS: 282 11:21:34 -262.335982 0.964248 BFGS: 283 11:21:34 -262.338930 0.929704 BFGS: 284 11:21:34 -262.341903 0.939663 BFGS: 285 11:21:34 -262.344897 0.949742 BFGS: 286 11:21:35 -262.347908 0.959579 BFGS: 287 11:21:35 -262.350933 0.969250 BFGS: 288 11:21:35 -262.353971 0.978830 BFGS: 289 11:21:35 -262.357022 0.988390 BFGS: 290 11:21:35 -262.360087 0.997996 BFGS: 291 11:21:35 -262.363165 1.007704 BFGS: 292 11:21:36 -262.366260 1.017563 BFGS: 293 11:21:36 -262.369372 1.027609 BFGS: 294 11:21:36 -262.372502 1.037873 BFGS: 295 11:21:36 -262.375654 1.048375 BFGS: 296 11:21:36 -262.378827 1.059129 BFGS: 297 11:21:37 -262.382023 1.070144 BFGS: 298 11:21:37 -262.385244 1.081422 BFGS: 299 11:21:37 -262.388490 1.092962 BFGS: 300 11:21:37 -262.391761 1.104761 BFGS: 301 11:21:37 -262.395057 1.116812 BFGS: 302 11:21:38 -262.398378 1.129108 BFGS: 303 11:21:38 -262.401724 1.141639 BFGS: 304 11:21:38 -262.405094 1.154396 BFGS: 305 11:21:38 -262.408486 1.167369 BFGS: 306 11:21:38 -262.411901 1.180545 BFGS: 307 11:21:38 -262.415336 1.193920 BFGS: 308 11:21:39 -262.418792 1.207473 BFGS: 309 11:21:39 -262.422136 1.222782 BFGS: 310 11:21:39 -262.425798 1.238878 BFGS: 311 11:21:39 -262.429037 1.248465 BFGS: 312 11:21:39 -262.432656 1.266081 BFGS: 313 11:21:40 -262.436083 1.278609 BFGS: 314 11:21:40 -262.439626 1.293935 BFGS: 315 11:21:40 -262.443132 1.307911 BFGS: 316 11:21:40 -262.446677 1.322748 BFGS: 317 11:21:40 -262.450217 1.337235 BFGS: 318 11:21:41 -262.453772 1.352073 BFGS: 319 11:21:41 -262.457328 1.366831 BFGS: 320 11:21:41 -262.460892 1.381782 BFGS: 321 11:21:41 -262.464455 1.396734 BFGS: 322 11:21:41 -262.468021 1.411818 BFGS: 323 11:21:42 -262.471591 1.426845 BFGS: 324 11:21:42 -262.475148 1.445791 BFGS: 325 11:21:42 -262.478699 1.460510 BFGS: 326 11:21:42 -262.482253 1.477360 BFGS: 327 11:21:42 -262.485804 1.492992 BFGS: 328 11:21:42 -262.489352 1.508892 BFGS: 329 11:21:43 -262.492896 1.526364 BFGS: 330 11:21:43 -262.496480 1.540947 BFGS: 331 11:21:43 -262.499926 1.556678 BFGS: 332 11:21:43 -262.503523 1.574163 BFGS: 333 11:21:43 -262.506938 1.587413 BFGS: 334 11:21:43 -262.510516 1.605706 BFGS: 335 11:21:44 -262.513913 1.618729 BFGS: 336 11:21:44 -262.517447 1.636514 BFGS: 337 11:21:44 -262.520831 1.650011 BFGS: 338 11:21:44 -262.524315 1.667060 BFGS: 339 11:21:44 -262.527682 1.681003 BFGS: 340 11:21:44 -262.531118 1.697510 BFGS: 341 11:21:44 -262.534458 1.711685 BFGS: 342 11:21:45 -262.537849 1.727853 BFGS: 343 11:21:45 -262.541154 1.742075 BFGS: 344 11:21:45 -262.544501 1.758040 BFGS: 345 11:21:45 -262.547764 1.772165 BFGS: 346 11:21:45 -262.551068 1.788026 BFGS: 347 11:21:45 -262.554281 1.801922 BFGS: 348 11:21:45 -262.557546 1.816564 BFGS: 349 11:21:45 -262.560709 1.832621 BFGS: 350 11:21:45 -262.563910 1.846862 BFGS: 351 11:21:45 -262.567015 1.861658 BFGS: 352 11:21:46 -262.570182 1.877500 BFGS: 353 11:21:46 -262.573219 1.890501 BFGS: 354 11:21:46 -262.576354 1.906907 BFGS: 355 11:21:46 -262.579317 1.921165 BFGS: 356 11:21:46 -262.582393 1.936574 BFGS: 357 11:21:46 -262.585299 1.948899 BFGS: 358 11:21:46 -262.588311 1.965417 BFGS: 359 11:21:46 -262.591178 1.977649 BFGS: 360 11:21:46 -262.594105 1.992800 BFGS: 361 11:21:47 -262.596919 2.004810 BFGS: 362 11:21:47 -262.599772 2.019603 BFGS: 363 11:21:47 -262.602527 2.031314 BFGS: 364 11:21:47 -262.605306 2.045534 BFGS: 365 11:21:47 -262.607995 2.057026 BFGS: 366 11:21:47 -262.610702 2.070749 BFGS: 367 11:21:47 -262.613319 2.081951 BFGS: 368 11:21:47 -262.615952 2.095283 BFGS: 369 11:21:47 -262.618493 2.106093 BFGS: 370 11:21:47 -262.621054 2.119128 BFGS: 371 11:21:48 -262.623513 2.129437 BFGS: 372 11:21:48 -262.626004 2.142252 BFGS: 373 11:21:48 -262.628352 2.160651 BFGS: 374 11:21:48 -262.630777 2.170421 BFGS: 375 11:21:48 -262.633064 2.179995 BFGS: 376 11:21:48 -262.635393 2.193692 BFGS: 377 11:21:48 -262.637606 2.201331 BFGS: 378 11:21:48 -262.639845 2.214730 BFGS: 379 11:21:48 -262.641980 2.222109 BFGS: 380 11:21:49 -262.644098 2.238821 BFGS: 381 11:21:49 -262.646185 2.245967 BFGS: 382 11:21:49 -262.648220 2.257155 BFGS: 383 11:21:49 -262.650215 2.266315 BFGS: 384 11:21:49 -262.652162 2.275669 BFGS: 385 11:21:49 -262.654068 2.284602 BFGS: 386 11:21:49 -262.655924 2.293103 BFGS: 387 11:21:49 -262.657739 2.301572 BFGS: 388 11:21:49 -262.659503 2.309390 BFGS: 389 11:21:50 -262.661228 2.315157 BFGS: 390 11:21:50 -262.662937 2.323573 BFGS: 391 11:21:50 -262.664531 2.331242 BFGS: 392 11:21:50 -262.666157 2.341802 BFGS: 393 11:21:50 -262.667637 2.344423 BFGS: 394 11:21:50 -262.669170 2.355573 BFGS: 395 11:21:50 -262.670562 2.357737 BFGS: 396 11:21:50 -262.671978 2.366320 BFGS: 397 11:21:51 -262.673293 2.369696 BFGS: 398 11:21:51 -262.674598 2.376115 BFGS: 399 11:21:51 -262.675829 2.379954 BFGS: 400 11:21:51 -262.677032 2.385122 BFGS: 401 11:21:51 -262.678173 2.388838 BFGS: 402 11:21:51 -262.679278 2.393178 BFGS: 403 11:21:51 -262.680326 2.396514 BFGS: 404 11:21:51 -262.681336 2.400197 BFGS: 405 11:21:52 -262.682290 2.403035 BFGS: 406 11:21:52 -262.683206 2.406142 BFGS: 407 11:21:52 -262.684067 2.408409 BFGS: 408 11:21:52 -262.684890 2.411000 BFGS: 409 11:21:52 -262.685657 2.412615 BFGS: 410 11:21:52 -262.686391 2.414779 BFGS: 411 11:21:52 -262.687063 2.415605 BFGS: 412 11:21:52 -262.687711 2.417519 BFGS: 413 11:21:52 -262.688286 2.417309 BFGS: 414 11:21:52 -262.688852 2.419190 BFGS: 415 11:21:52 -262.689332 2.417891 BFGS: 416 11:21:52 -262.689811 2.419248 BFGS: 417 11:21:52 -262.690211 2.417684 BFGS: 418 11:21:52 -262.690597 2.417811 BFGS: 419 11:21:52 -262.690925 2.416259 BFGS: 420 11:21:53 -262.691228 2.415432 BFGS: 421 11:21:53 -262.691484 2.413596 BFGS: 422 11:21:53 -262.691715 2.412116 BFGS: 423 11:21:53 -262.691903 2.409790 BFGS: 424 11:21:53 -262.692069 2.407854 BFGS: 425 11:21:53 -262.692196 2.404738 BFGS: 426 11:21:53 -262.692310 2.402719 BFGS: 427 11:21:53 -262.692383 2.397908 BFGS: 428 11:21:53 -262.692472 2.396396 BFGS: 429 11:21:53 -262.692598 2.390914 BFGS: 430 11:21:53 -262.692781 2.382042 BFGS: 431 11:21:53 -262.692850 2.378965 BFGS: 432 11:21:53 -262.692870 2.375611 BFGS: 433 11:21:53 -262.692879 2.369298 BFGS: 434 11:21:53 -262.692882 2.367118 BFGS: 435 11:21:53 -262.692883 2.364280 BFGS: 436 11:21:53 -262.692883 2.360301 BFGS: 437 11:21:53 -262.692883 2.360126 BFGS: 438 11:21:53 -262.692883 2.360295 BFGS: 439 11:21:54 -262.692883 2.360432 BFGS: 440 11:21:54 -262.692883 2.360504 BFGS: 441 11:21:54 -262.692883 2.360521 BFGS: 442 11:21:54 -262.692883 2.360512 BFGS: 443 11:21:54 -262.692883 2.360496 BFGS: 444 11:21:54 -262.692883 2.360475 BFGS: 445 11:21:54 -262.692883 2.360466 BFGS: 446 11:21:54 -262.692883 2.360453 BFGS: 447 11:21:54 -262.692883 2.360454 BFGS: 448 11:21:54 -262.692883 2.360458 BFGS: 449 11:21:54 -262.692883 2.360462 BFGS: 450 11:21:54 -262.692883 2.360471 BFGS: 451 11:21:54 -262.692883 2.360486 BFGS: 452 11:21:54 -262.692883 2.360511 BFGS: 453 11:21:54 -262.692883 2.360551 BFGS: 454 11:21:54 -262.692883 2.360619 BFGS: 455 11:21:54 -262.692883 2.360728 BFGS: 456 11:21:54 -262.692883 2.360906 BFGS: 457 11:21:54 -262.692883 2.361195 BFGS: 458 11:21:54 -262.692883 2.361665 BFGS: 459 11:21:54 -262.692883 2.362427 BFGS: 460 11:21:54 -262.692884 2.363663 BFGS: 461 11:21:55 -262.692885 2.365669 BFGS: 462 11:21:55 -262.692888 2.368928 BFGS: 463 11:21:55 -262.692895 2.374237 BFGS: 464 11:21:55 -262.692914 2.382911 BFGS: 465 11:21:55 -262.692964 2.397172 BFGS: 466 11:21:55 -262.693095 2.420832 BFGS: 467 11:21:55 -262.693439 2.460662 BFGS: 468 11:21:55 -262.694344 2.529234 BFGS: 469 11:21:55 -262.696736 2.651329 BFGS: 470 11:21:55 -262.701949 2.827481 BFGS: 471 11:21:55 -262.712051 3.064968 BFGS: 472 11:21:55 -262.729687 3.379414 BFGS: 473 11:21:56 -262.758005 3.787890 BFGS: 474 11:21:56 -262.796065 4.271339 BFGS: 475 11:21:56 -262.863361 5.036577 BFGS: 476 11:21:56 -262.923884 5.660101 BFGS: 477 11:21:56 -263.042136 6.732889 BFGS: 478 11:21:56 -263.069612 6.910109 BFGS: 479 11:21:56 -263.103386 7.126464 BFGS: 480 11:21:56 -263.129928 7.235237 BFGS: 481 11:21:56 -263.253344 7.698099 BFGS: 482 11:21:56 -263.315351 7.833181 BFGS: 483 11:21:56 -263.397754 7.958758 BFGS: 484 11:21:57 -263.475268 8.024473 BFGS: 485 11:21:57 -263.561749 8.055217 BFGS: 486 11:21:57 -263.644765 8.053224 BFGS: 487 11:21:57 -263.735951 8.023884 BFGS: 488 11:21:57 -263.821527 7.978585 BFGS: 489 11:21:57 -263.918587 7.908354 BFGS: 490 11:21:57 -264.002811 7.838874 BFGS: 491 11:21:57 -264.114738 7.712849 BFGS: 492 11:21:57 -264.186632 7.639925 BFGS: 493 11:21:57 -264.305420 7.510192 BFGS: 494 11:21:57 -264.384979 7.410321 BFGS: 495 11:21:57 -264.485999 7.288454 BFGS: 496 11:21:57 -264.572983 7.172544 BFGS: 497 11:21:58 -264.674176 7.049747 BFGS: 498 11:21:58 -264.765723 6.917741 BFGS: 499 11:21:58 -264.863794 6.788819 BFGS: 500 11:21:58 -264.960989 6.655179 BFGS: 501 11:21:58 -265.057324 6.525865 BFGS: 502 11:21:58 -265.157612 6.389111 BFGS: 503 11:21:58 -265.255422 6.254823 BFGS: 504 11:21:58 -265.356638 6.118360 BFGS: 505 11:21:58 -265.453058 5.992340 BFGS: 506 11:21:58 -265.559456 5.854910 BFGS: 507 11:21:58 -265.655782 5.730562 BFGS: 508 11:21:58 -265.769635 5.578777 BFGS: 509 11:21:59 -265.857271 5.477153 BFGS: 510 11:21:59 -265.976294 5.320678 BFGS: 511 11:21:59 -266.065722 5.222774 BFGS: 512 11:21:59 -266.178682 5.076666 BFGS: 513 11:21:59 -266.273102 5.013482 BFGS: 514 11:21:59 -266.380135 4.999104 BFGS: 515 11:21:59 -266.480381 4.971090 BFGS: 516 11:21:59 -266.583323 4.930600 BFGS: 517 11:21:59 -266.683779 4.894863 BFGS: 518 11:21:59 -266.788024 4.839047 BFGS: 519 11:21:59 -266.886840 4.783832 BFGS: 520 11:21:59 -266.990330 4.710484 BFGS: 521 11:21:59 -267.087980 4.639539 BFGS: 522 11:21:59 -267.190453 4.546459 BFGS: 523 11:21:59 -267.284540 4.464069 BFGS: 524 11:21:59 -267.387161 4.345947 BFGS: 525 11:21:59 -267.477178 4.251622 BFGS: 526 11:21:59 -267.576090 4.120683 BFGS: 527 11:21:59 -267.660055 4.016315 BFGS: 528 11:22:00 -267.758587 3.854521 BFGS: 529 11:22:00 -267.835381 3.749254 BFGS: 530 11:22:00 -267.935393 3.546081 BFGS: 531 11:22:00 -268.003755 3.428779 BFGS: 532 11:22:00 -268.096663 3.215902 BFGS: 533 11:22:00 -268.160119 3.091108 BFGS: 534 11:22:00 -268.239692 2.947422 BFGS: 535 11:22:00 -268.300470 2.808600 BFGS: 536 11:22:00 -268.366449 2.639727 BFGS: 537 11:22:00 -268.423946 2.482219 BFGS: 538 11:22:00 -268.476410 2.299518 BFGS: 539 11:22:00 -268.528340 2.119664 BFGS: 540 11:22:00 -268.570050 1.925387 BFGS: 541 11:22:00 -268.612946 1.717899 BFGS: 542 11:22:01 -268.644555 1.508140 BFGS: 543 11:22:01 -268.676856 1.271019 BFGS: 544 11:22:01 -268.697770 1.044023 BFGS: 545 11:22:01 -268.717614 0.770415 BFGS: 546 11:22:01 -268.727189 0.736305 BFGS: 547 11:22:01 -268.732366 0.676922 BFGS: 548 11:22:01 -268.733559 0.665299 BFGS: 549 11:22:01 -268.735511 0.623665 BFGS: 550 11:22:01 -268.738281 0.362621 BFGS: 551 11:22:01 -268.738910 0.378173 BFGS: 552 11:22:01 -268.740196 0.297363 BFGS: 553 11:22:01 -268.742190 0.204022 BFGS: 554 11:22:01 -268.743521 0.160330 BFGS: 555 11:22:01 -268.745168 0.213362 BFGS: 556 11:22:01 -268.747181 0.225228 BFGS: 557 11:22:01 -268.749559 0.217524 BFGS: 558 11:22:02 -268.751684 0.180216 BFGS: 559 11:22:02 -268.753671 0.149517 BFGS: 560 11:22:02 -268.755240 0.134885 BFGS: 561 11:22:02 -268.756585 0.086719 BFGS: 562 11:22:02 -268.757338 0.081879 BFGS: 563 11:22:02 -268.757729 0.052198 BFGS: 564 11:22:02 -268.757885 0.039515 BFGS: 565 11:22:02 -268.758013 0.031877 BFGS: 566 11:22:02 -268.758204 0.023461 BFGS: 567 11:22:02 -268.758240 0.013503 BFGS: 568 11:22:02 -268.758249 0.003875 BFGS: 569 11:22:02 -268.758249 0.001407 BFGS: 570 11:22:02 -268.758249 0.000224 BFGS: 571 11:22:02 -268.758249 0.000063 BFGS: 572 11:22:02 -268.758249 0.000019 BFGS: 573 11:22:02 -268.758249 0.000004 BFGS: 574 11:22:02 -268.758249 0.000002 BFGS: 575 11:22:02 -268.758249 0.000001 BFGS: 576 11:22:02 -268.758249 0.000000 BFGS: 577 11:22:02 -268.758249 0.000000 BFGS: 578 11:22:02 -268.758249 0.000000 Minimization converged after 578 steps. Maximum force component: 5.31813102668704e-09 eV/Angstrom Maximum stress component: 8.913744305455377e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag', 'Ag', 'Ag', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.12242059e-15 5.00000000e-01 5.00000000e-01] [3.35347981e-01 6.28002465e-01 8.32326010e-01] [6.64652019e-01 1.28002465e-01 6.67673990e-01] [6.64652019e-01 3.71997535e-01 1.67673990e-01] [3.35347981e-01 8.71997535e-01 3.32326010e-01] [7.84822546e-01 6.80090806e-01 2.51933207e-01] [2.15177454e-01 1.80090806e-01 2.48066793e-01] [2.15177454e-01 3.19909194e-01 7.48066793e-01] [7.84822546e-01 8.19909194e-01 7.51933207e-01] [7.84822546e-01 8.19909194e-01 4.63244247e-01] [2.15177454e-01 3.19909194e-01 3.67557529e-02] [2.15177454e-01 1.80090806e-01 5.36755753e-01] [7.84822546e-01 6.80090806e-01 9.63244247e-01]] cellpar = Cell([[3.1852260607877994, 2.4800347328906377e-17, -2.8987201817803685], [-1.9810244877465684e-16, 6.208311646802723, -1.8753372798382521e-16], [4.325609575567824, -3.144797456003738e-17, 1.254323182953969]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 8.80143160e-10 6.49460111e-10 -1.10009883e-09] [-8.80143160e-10 6.49460111e-10 1.10009883e-09] [-8.80143160e-10 -6.49460111e-10 1.10009883e-09] [ 8.80143160e-10 -6.49460111e-10 -1.10009883e-09] [ 1.17652659e-09 -5.10489613e-09 2.70621334e-09] [-1.17652659e-09 -5.10489613e-09 -2.70621334e-09] [-1.17652659e-09 5.10489613e-09 -2.70621334e-09] [ 1.17652659e-09 5.10489613e-09 2.70621334e-09] [-5.31813103e-09 3.50898875e-09 -1.33645700e-09] [ 5.31813103e-09 3.50898875e-09 1.33645700e-09] [ 5.31813103e-09 -3.50898875e-09 1.33645700e-09] [-5.31813103e-09 -3.50898875e-09 -1.33645700e-09]] stress = [-6.75104561e-10 -2.78117740e-10 -8.91374431e-10 -2.68220270e-25 1.32314276e-10 -6.12648571e-26] energy per atom = -19.19701780035988 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A3B4_mP14_14_ae_2e, while relaxed is A3B4_oC28_64_af_g. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.