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 00:43:19 -129.378521 7.5255 BFGS: 1 00:43:19 -130.994448 7.8803 BFGS: 2 00:43:19 -132.420053 8.1913 BFGS: 3 00:43:19 -133.846199 8.5013 BFGS: 4 00:43:19 -135.296791 8.8295 BFGS: 5 00:43:19 -136.779672 9.1699 BFGS: 6 00:43:19 -138.306473 9.5147 BFGS: 7 00:43:19 -139.883972 9.8649 BFGS: 8 00:43:19 -141.516546 10.2131 BFGS: 9 00:43:19 -143.208890 10.5564 BFGS: 10 00:43:19 -144.964680 10.8950 BFGS: 11 00:43:19 -146.784800 11.2219 BFGS: 12 00:43:19 -148.664178 11.5241 BFGS: 13 00:43:19 -150.596172 11.8039 BFGS: 14 00:43:20 -152.566563 12.0373 BFGS: 15 00:43:20 -154.563558 12.2251 BFGS: 16 00:43:20 -156.562509 12.3397 BFGS: 17 00:43:20 -158.563058 12.4328 BFGS: 18 00:43:20 -160.500970 12.3997 BFGS: 19 00:43:20 -162.454239 12.3445 BFGS: 20 00:43:20 -164.406118 12.2459 BFGS: 21 00:43:20 -166.347573 12.1002 BFGS: 22 00:43:20 -168.285024 11.9095 BFGS: 23 00:43:20 -170.218786 11.6703 BFGS: 24 00:43:20 -172.150794 11.3905 BFGS: 25 00:43:20 -174.034986 11.0623 BFGS: 26 00:43:20 -175.861536 10.6820 BFGS: 27 00:43:20 -177.627478 10.5895 BFGS: 28 00:43:20 -179.323137 10.6975 BFGS: 29 00:43:20 -180.961761 10.8070 BFGS: 30 00:43:20 -182.539203 10.9182 BFGS: 31 00:43:20 -184.090254 11.0602 BFGS: 32 00:43:20 -185.573931 11.1595 BFGS: 33 00:43:20 -187.099719 11.3490 BFGS: 34 00:43:20 -188.592791 11.4997 BFGS: 35 00:43:20 -190.088169 11.6341 BFGS: 36 00:43:20 -191.608565 11.7825 BFGS: 37 00:43:20 -193.162609 11.9969 BFGS: 38 00:43:20 -194.769654 12.6685 BFGS: 39 00:43:20 -196.454694 13.3609 BFGS: 40 00:43:20 -198.251169 14.0699 BFGS: 41 00:43:20 -200.211259 14.7995 BFGS: 42 00:43:20 -202.411764 15.5562 BFGS: 43 00:43:20 -204.949947 16.3467 BFGS: 44 00:43:20 -207.786521 17.1256 BFGS: 45 00:43:20 -210.940180 18.3317 BFGS: 46 00:43:20 -214.352612 19.1409 BFGS: 47 00:43:20 -217.671779 18.8045 BFGS: 48 00:43:20 -220.582794 18.6096 BFGS: 49 00:43:20 -223.104334 18.0094 BFGS: 50 00:43:20 -225.529500 16.9920 BFGS: 51 00:43:20 -227.840466 15.6716 BFGS: 52 00:43:20 -229.911502 14.2008 BFGS: 53 00:43:20 -231.641717 12.6402 BFGS: 54 00:43:20 -232.933995 10.9389 BFGS: 55 00:43:20 -233.605931 9.4827 BFGS: 56 00:43:20 -233.986188 8.3191 BFGS: 57 00:43:21 -234.340615 7.4208 BFGS: 58 00:43:21 -234.698605 7.1196 BFGS: 59 00:43:21 -235.059885 7.1216 BFGS: 60 00:43:21 -235.411874 7.0211 BFGS: 61 00:43:21 -235.750692 6.9224 BFGS: 62 00:43:21 -236.066460 6.7234 BFGS: 63 00:43:21 -236.358842 6.5404 BFGS: 64 00:43:21 -236.623052 6.2414 BFGS: 65 00:43:21 -236.866650 5.9667 BFGS: 66 00:43:21 -237.088833 5.5664 BFGS: 67 00:43:21 -237.303456 5.2148 BFGS: 68 00:43:21 -237.508364 4.7751 BFGS: 69 00:43:21 -237.715062 4.3832 BFGS: 70 00:43:21 -237.919732 3.9647 BFGS: 71 00:43:21 -238.129434 3.5958 BFGS: 72 00:43:21 -238.339729 3.6723 BFGS: 73 00:43:21 -238.554133 3.9154 BFGS: 74 00:43:21 -238.770113 4.1429 BFGS: 75 00:43:21 -238.990692 4.3517 BFGS: 76 00:43:21 -239.213686 4.5486 BFGS: 77 00:43:21 -239.440958 4.7332 BFGS: 78 00:43:21 -239.669217 4.9128 BFGS: 79 00:43:21 -239.899975 5.0834 BFGS: 80 00:43:21 -240.132554 5.2560 BFGS: 81 00:43:21 -240.367629 5.4185 BFGS: 82 00:43:21 -240.605390 5.5729 BFGS: 83 00:43:21 -240.845609 5.7184 BFGS: 84 00:43:21 -241.088434 5.8509 BFGS: 85 00:43:21 -241.333947 5.9689 BFGS: 86 00:43:21 -241.581826 6.0665 BFGS: 87 00:43:21 -241.831424 6.1501 BFGS: 88 00:43:21 -242.082460 6.2063 BFGS: 89 00:43:21 -242.334820 6.2261 BFGS: 90 00:43:21 -242.587940 6.2024 BFGS: 91 00:43:21 -242.840654 6.1377 BFGS: 92 00:43:22 -243.092521 6.0239 BFGS: 93 00:43:22 -243.342758 5.8564 BFGS: 94 00:43:22 -243.590597 5.6298 BFGS: 95 00:43:22 -243.835905 5.3383 BFGS: 96 00:43:22 -244.077644 4.9858 BFGS: 97 00:43:22 -244.314881 4.5785 BFGS: 98 00:43:22 -244.547576 4.1368 BFGS: 99 00:43:22 -244.775076 3.6652 BFGS: 100 00:43:22 -244.998157 3.2640 BFGS: 101 00:43:22 -245.216637 3.3795 BFGS: 102 00:43:22 -245.432587 3.4704 BFGS: 103 00:43:22 -245.645998 3.5645 BFGS: 104 00:43:22 -245.858439 3.6682 BFGS: 105 00:43:22 -246.071867 3.7784 BFGS: 106 00:43:22 -246.285602 3.9238 BFGS: 107 00:43:22 -246.505053 4.0339 BFGS: 108 00:43:22 -246.728845 4.1584 BFGS: 109 00:43:22 -246.952974 4.1845 BFGS: 110 00:43:22 -247.178454 4.2211 BFGS: 111 00:43:22 -247.403161 4.2878 BFGS: 112 00:43:22 -247.630574 4.3211 BFGS: 113 00:43:22 -247.857764 4.3430 BFGS: 114 00:43:22 -248.084416 4.7193 BFGS: 115 00:43:22 -248.308542 5.0696 BFGS: 116 00:43:22 -248.529757 5.4284 BFGS: 117 00:43:22 -248.746488 5.7508 BFGS: 118 00:43:22 -248.958004 6.0961 BFGS: 119 00:43:22 -249.162603 6.3905 BFGS: 120 00:43:22 -249.359628 6.7204 BFGS: 121 00:43:22 -249.549512 6.9925 BFGS: 122 00:43:22 -249.729197 7.3260 BFGS: 123 00:43:22 -249.901297 7.5881 BFGS: 124 00:43:22 -250.061811 7.9190 BFGS: 125 00:43:23 -250.214839 8.1858 BFGS: 126 00:43:23 -250.355276 8.5025 BFGS: 127 00:43:23 -250.488203 8.7737 BFGS: 128 00:43:23 -250.608679 9.0794 BFGS: 129 00:43:23 -250.723357 9.3474 BFGS: 130 00:43:23 -250.825770 9.6456 BFGS: 131 00:43:23 -250.925352 9.8962 BFGS: 132 00:43:23 -251.013299 10.1846 BFGS: 133 00:43:23 -251.101367 10.4067 BFGS: 134 00:43:23 -251.179446 10.6708 BFGS: 135 00:43:23 -251.258958 10.8665 BFGS: 136 00:43:23 -251.332882 11.0857 BFGS: 137 00:43:23 -251.408126 11.2483 BFGS: 138 00:43:23 -251.480880 11.4150 BFGS: 139 00:43:23 -251.555241 11.5385 BFGS: 140 00:43:23 -251.629801 11.6476 BFGS: 141 00:43:23 -251.707214 11.7181 BFGS: 142 00:43:23 -251.785983 11.7683 BFGS: 143 00:43:23 -251.867456 11.7929 BFGS: 144 00:43:23 -251.953118 11.7852 BFGS: 145 00:43:23 -252.042936 11.7515 BFGS: 146 00:43:23 -252.137175 11.6847 BFGS: 147 00:43:23 -252.236048 11.5900 BFGS: 148 00:43:23 -252.339638 11.4593 BFGS: 149 00:43:23 -252.447986 11.2952 BFGS: 150 00:43:23 -252.560813 11.0915 BFGS: 151 00:43:23 -252.677653 10.8463 BFGS: 152 00:43:23 -252.797917 10.5550 BFGS: 153 00:43:23 -252.920810 10.2161 BFGS: 154 00:43:23 -253.046094 9.8133 BFGS: 155 00:43:23 -253.173494 9.3368 BFGS: 156 00:43:23 -253.301713 8.7711 BFGS: 157 00:43:24 -253.432271 8.0719 BFGS: 158 00:43:24 -253.566643 7.1788 BFGS: 159 00:43:24 -253.685277 6.3979 BFGS: 160 00:43:24 -253.829237 5.9560 BFGS: 161 00:43:24 -254.035959 5.9473 BFGS: 162 00:43:24 -254.294361 6.3892 BFGS: 163 00:43:24 -254.558151 6.9798 BFGS: 164 00:43:24 -254.799501 7.4896 BFGS: 165 00:43:24 -254.994761 7.7968 BFGS: 166 00:43:24 -255.179633 8.0540 BFGS: 167 00:43:24 -255.353048 8.2561 BFGS: 168 00:43:24 -255.521943 8.4469 BFGS: 169 00:43:24 -255.686041 8.6190 BFGS: 170 00:43:24 -255.847958 8.7885 BFGS: 171 00:43:24 -256.005768 8.9469 BFGS: 172 00:43:24 -256.160721 9.1040 BFGS: 173 00:43:24 -256.311250 9.2530 BFGS: 174 00:43:24 -256.456164 9.3960 BFGS: 175 00:43:24 -256.596899 9.5343 BFGS: 176 00:43:24 -256.730493 9.6666 BFGS: 177 00:43:24 -256.859987 9.7873 BFGS: 178 00:43:24 -256.979216 9.9096 BFGS: 179 00:43:24 -257.096851 10.0076 BFGS: 180 00:43:24 -257.202699 10.1241 BFGS: 181 00:43:24 -257.310040 10.1964 BFGS: 182 00:43:24 -257.403508 10.3173 BFGS: 183 00:43:24 -257.505093 10.3570 BFGS: 184 00:43:24 -257.592465 10.4803 BFGS: 185 00:43:24 -257.693691 10.5088 BFGS: 186 00:43:24 -257.785917 10.6089 BFGS: 187 00:43:24 -257.894398 10.6456 BFGS: 188 00:43:25 -258.004271 10.7117 BFGS: 189 00:43:25 -258.130987 10.7443 BFGS: 190 00:43:25 -258.265433 10.7897 BFGS: 191 00:43:25 -258.420193 10.8098 BFGS: 192 00:43:25 -258.585997 10.8231 BFGS: 193 00:43:25 -258.774481 10.8079 BFGS: 194 00:43:25 -258.974777 10.7688 BFGS: 195 00:43:25 -259.198023 10.6850 BFGS: 196 00:43:25 -259.429227 10.5571 BFGS: 197 00:43:25 -259.681875 10.3525 BFGS: 198 00:43:25 -259.941568 10.0327 BFGS: 199 00:43:25 -260.211373 9.6203 BFGS: 200 00:43:25 -260.510899 8.7498 BFGS: 201 00:43:25 -260.753069 8.1682 BFGS: 202 00:43:25 -261.073503 6.2524 BFGS: 203 00:43:25 -261.386125 4.3331 BFGS: 204 00:43:25 -261.642442 3.0929 BFGS: 205 00:43:25 -261.859850 2.7649 BFGS: 206 00:43:25 -262.066171 1.5333 BFGS: 207 00:43:25 -262.118290 1.4561 BFGS: 208 00:43:25 -262.142202 0.6820 BFGS: 209 00:43:25 -262.157656 0.5708 BFGS: 210 00:43:25 -262.162465 0.6840 BFGS: 211 00:43:25 -262.162995 0.7819 BFGS: 212 00:43:25 -262.163263 0.8133 BFGS: 213 00:43:25 -262.163393 0.8121 BFGS: 214 00:43:25 -262.163495 0.7980 BFGS: 215 00:43:25 -262.163613 0.7794 BFGS: 216 00:43:25 -262.163817 0.7533 BFGS: 217 00:43:26 -262.164172 0.7200 BFGS: 218 00:43:26 -262.164719 0.6948 BFGS: 219 00:43:26 -262.165682 0.6752 BFGS: 220 00:43:26 -262.167208 0.6734 BFGS: 221 00:43:26 -262.169391 0.6818 BFGS: 222 00:43:26 -262.171792 0.6879 BFGS: 223 00:43:26 -262.174371 0.6916 BFGS: 224 00:43:26 -262.177085 0.6923 BFGS: 225 00:43:26 -262.179888 0.6942 BFGS: 226 00:43:26 -262.182756 0.6922 BFGS: 227 00:43:26 -262.185675 0.6896 BFGS: 228 00:43:26 -262.188627 0.6869 BFGS: 229 00:43:26 -262.191603 0.6834 BFGS: 230 00:43:26 -262.194597 0.6797 BFGS: 231 00:43:26 -262.197603 0.6760 BFGS: 232 00:43:26 -262.200616 0.6721 BFGS: 233 00:43:26 -262.203631 0.6682 BFGS: 234 00:43:26 -262.206646 0.6643 BFGS: 235 00:43:26 -262.209658 0.6604 BFGS: 236 00:43:26 -262.212665 0.6566 BFGS: 237 00:43:26 -262.215666 0.6527 BFGS: 238 00:43:26 -262.218660 0.6489 BFGS: 239 00:43:26 -262.221646 0.6453 BFGS: 240 00:43:26 -262.224633 0.6440 BFGS: 241 00:43:26 -262.227606 0.6403 BFGS: 242 00:43:26 -262.230567 0.6370 BFGS: 243 00:43:26 -262.233518 0.6339 BFGS: 244 00:43:26 -262.236456 0.6311 BFGS: 245 00:43:26 -262.239382 0.6287 BFGS: 246 00:43:26 -262.242292 0.6266 BFGS: 247 00:43:27 -262.245184 0.6249 BFGS: 248 00:43:27 -262.248058 0.6275 BFGS: 249 00:43:27 -262.250909 0.6593 BFGS: 250 00:43:27 -262.253739 0.6922 BFGS: 251 00:43:27 -262.256553 0.7258 BFGS: 252 00:43:27 -262.259330 0.7599 BFGS: 253 00:43:27 -262.262074 0.7943 BFGS: 254 00:43:27 -262.264786 0.8289 BFGS: 255 00:43:27 -262.267464 0.8634 BFGS: 256 00:43:27 -262.270106 0.8976 BFGS: 257 00:43:27 -262.272723 0.9254 BFGS: 258 00:43:27 -262.275261 0.9633 BFGS: 259 00:43:27 -262.277799 0.9953 BFGS: 260 00:43:27 -262.280301 1.0127 BFGS: 261 00:43:27 -262.282652 1.0542 BFGS: 262 00:43:27 -262.285054 1.0836 BFGS: 263 00:43:27 -262.287441 1.1104 BFGS: 264 00:43:27 -262.289810 1.1344 BFGS: 265 00:43:27 -262.292164 1.1556 BFGS: 266 00:43:27 -262.294508 1.1738 BFGS: 267 00:43:27 -262.296850 1.1887 BFGS: 268 00:43:27 -262.299199 1.1999 BFGS: 269 00:43:27 -262.301562 1.2073 BFGS: 270 00:43:27 -262.303948 1.2108 BFGS: 271 00:43:27 -262.306365 1.2101 BFGS: 272 00:43:27 -262.308819 1.2052 BFGS: 273 00:43:27 -262.311318 1.1962 BFGS: 274 00:43:27 -262.313866 1.1830 BFGS: 275 00:43:27 -262.316467 1.1658 BFGS: 276 00:43:28 -262.319127 1.1402 BFGS: 277 00:43:28 -262.321809 1.1180 BFGS: 278 00:43:28 -262.324551 1.0917 BFGS: 279 00:43:28 -262.327343 1.0626 BFGS: 280 00:43:28 -262.330183 1.0313 BFGS: 281 00:43:28 -262.333064 0.9983 BFGS: 282 00:43:28 -262.335982 0.9642 BFGS: 283 00:43:28 -262.338930 0.9297 BFGS: 284 00:43:28 -262.341903 0.9397 BFGS: 285 00:43:28 -262.344897 0.9497 BFGS: 286 00:43:28 -262.347908 0.9596 BFGS: 287 00:43:28 -262.350933 0.9692 BFGS: 288 00:43:28 -262.353971 0.9788 BFGS: 289 00:43:28 -262.357022 0.9884 BFGS: 290 00:43:28 -262.360087 0.9980 BFGS: 291 00:43:28 -262.363165 1.0077 BFGS: 292 00:43:28 -262.366260 1.0176 BFGS: 293 00:43:28 -262.369372 1.0276 BFGS: 294 00:43:28 -262.372502 1.0379 BFGS: 295 00:43:28 -262.375654 1.0484 BFGS: 296 00:43:28 -262.378827 1.0591 BFGS: 297 00:43:28 -262.382023 1.0701 BFGS: 298 00:43:28 -262.385244 1.0814 BFGS: 299 00:43:28 -262.388490 1.0930 BFGS: 300 00:43:28 -262.391761 1.1048 BFGS: 301 00:43:28 -262.395057 1.1168 BFGS: 302 00:43:28 -262.398378 1.1291 BFGS: 303 00:43:28 -262.401724 1.1416 BFGS: 304 00:43:28 -262.405094 1.1544 BFGS: 305 00:43:29 -262.408486 1.1674 BFGS: 306 00:43:29 -262.411901 1.1805 BFGS: 307 00:43:29 -262.415336 1.1939 BFGS: 308 00:43:29 -262.418792 1.2075 BFGS: 309 00:43:29 -262.422136 1.2228 BFGS: 310 00:43:29 -262.425798 1.2389 BFGS: 311 00:43:29 -262.429037 1.2485 BFGS: 312 00:43:29 -262.432656 1.2661 BFGS: 313 00:43:29 -262.436083 1.2786 BFGS: 314 00:43:29 -262.439626 1.2939 BFGS: 315 00:43:29 -262.443132 1.3079 BFGS: 316 00:43:29 -262.446677 1.3227 BFGS: 317 00:43:29 -262.450217 1.3372 BFGS: 318 00:43:29 -262.453772 1.3521 BFGS: 319 00:43:29 -262.457328 1.3668 BFGS: 320 00:43:29 -262.460892 1.3818 BFGS: 321 00:43:29 -262.464455 1.3967 BFGS: 322 00:43:29 -262.468021 1.4118 BFGS: 323 00:43:29 -262.471591 1.4268 BFGS: 324 00:43:29 -262.475148 1.4458 BFGS: 325 00:43:29 -262.478699 1.4605 BFGS: 326 00:43:29 -262.482253 1.4774 BFGS: 327 00:43:29 -262.485804 1.4930 BFGS: 328 00:43:29 -262.489352 1.5089 BFGS: 329 00:43:29 -262.492896 1.5264 BFGS: 330 00:43:29 -262.496480 1.5409 BFGS: 331 00:43:29 -262.499926 1.5567 BFGS: 332 00:43:29 -262.503523 1.5742 BFGS: 333 00:43:30 -262.506938 1.5874 BFGS: 334 00:43:30 -262.510516 1.6057 BFGS: 335 00:43:30 -262.513913 1.6187 BFGS: 336 00:43:30 -262.517447 1.6365 BFGS: 337 00:43:30 -262.520831 1.6500 BFGS: 338 00:43:30 -262.524315 1.6671 BFGS: 339 00:43:30 -262.527682 1.6810 BFGS: 340 00:43:30 -262.531118 1.6975 BFGS: 341 00:43:30 -262.534458 1.7117 BFGS: 342 00:43:30 -262.537849 1.7279 BFGS: 343 00:43:30 -262.541154 1.7421 BFGS: 344 00:43:30 -262.544501 1.7580 BFGS: 345 00:43:30 -262.547764 1.7722 BFGS: 346 00:43:30 -262.551068 1.7880 BFGS: 347 00:43:30 -262.554281 1.8019 BFGS: 348 00:43:30 -262.557546 1.8166 BFGS: 349 00:43:30 -262.560709 1.8326 BFGS: 350 00:43:30 -262.563910 1.8469 BFGS: 351 00:43:30 -262.567015 1.8617 BFGS: 352 00:43:30 -262.570182 1.8775 BFGS: 353 00:43:30 -262.573219 1.8905 BFGS: 354 00:43:30 -262.576354 1.9069 BFGS: 355 00:43:30 -262.579317 1.9212 BFGS: 356 00:43:30 -262.582393 1.9366 BFGS: 357 00:43:30 -262.585299 1.9489 BFGS: 358 00:43:30 -262.588311 1.9654 BFGS: 359 00:43:30 -262.591178 1.9776 BFGS: 360 00:43:30 -262.594105 1.9928 BFGS: 361 00:43:30 -262.596919 2.0048 BFGS: 362 00:43:30 -262.599772 2.0196 BFGS: 363 00:43:31 -262.602527 2.0313 BFGS: 364 00:43:31 -262.605306 2.0455 BFGS: 365 00:43:31 -262.607995 2.0570 BFGS: 366 00:43:31 -262.610702 2.0707 BFGS: 367 00:43:31 -262.613319 2.0820 BFGS: 368 00:43:31 -262.615952 2.0953 BFGS: 369 00:43:31 -262.618493 2.1061 BFGS: 370 00:43:31 -262.621054 2.1191 BFGS: 371 00:43:31 -262.623513 2.1294 BFGS: 372 00:43:31 -262.626004 2.1423 BFGS: 373 00:43:31 -262.628352 2.1607 BFGS: 374 00:43:31 -262.630777 2.1704 BFGS: 375 00:43:31 -262.633064 2.1800 BFGS: 376 00:43:31 -262.635393 2.1937 BFGS: 377 00:43:31 -262.637606 2.2013 BFGS: 378 00:43:31 -262.639845 2.2147 BFGS: 379 00:43:31 -262.641980 2.2221 BFGS: 380 00:43:31 -262.644098 2.2388 BFGS: 381 00:43:31 -262.646185 2.2460 BFGS: 382 00:43:31 -262.648220 2.2572 BFGS: 383 00:43:31 -262.650215 2.2663 BFGS: 384 00:43:31 -262.652162 2.2757 BFGS: 385 00:43:31 -262.654068 2.2846 BFGS: 386 00:43:31 -262.655924 2.2931 BFGS: 387 00:43:31 -262.657739 2.3016 BFGS: 388 00:43:31 -262.659503 2.3094 BFGS: 389 00:43:31 -262.661228 2.3152 BFGS: 390 00:43:31 -262.662937 2.3236 BFGS: 391 00:43:31 -262.664531 2.3312 BFGS: 392 00:43:32 -262.666157 2.3418 BFGS: 393 00:43:32 -262.667637 2.3444 BFGS: 394 00:43:32 -262.669170 2.3556 BFGS: 395 00:43:32 -262.670562 2.3577 BFGS: 396 00:43:32 -262.671978 2.3663 BFGS: 397 00:43:32 -262.673293 2.3697 BFGS: 398 00:43:32 -262.674598 2.3761 BFGS: 399 00:43:32 -262.675829 2.3800 BFGS: 400 00:43:32 -262.677032 2.3851 BFGS: 401 00:43:32 -262.678173 2.3888 BFGS: 402 00:43:32 -262.679278 2.3932 BFGS: 403 00:43:32 -262.680326 2.3965 BFGS: 404 00:43:32 -262.681336 2.4002 BFGS: 405 00:43:32 -262.682290 2.4030 BFGS: 406 00:43:32 -262.683206 2.4061 BFGS: 407 00:43:32 -262.684067 2.4084 BFGS: 408 00:43:32 -262.684890 2.4110 BFGS: 409 00:43:32 -262.685657 2.4126 BFGS: 410 00:43:32 -262.686391 2.4148 BFGS: 411 00:43:32 -262.687063 2.4156 BFGS: 412 00:43:32 -262.687711 2.4175 BFGS: 413 00:43:32 -262.688286 2.4173 BFGS: 414 00:43:32 -262.688852 2.4192 BFGS: 415 00:43:32 -262.689332 2.4179 BFGS: 416 00:43:32 -262.689811 2.4192 BFGS: 417 00:43:32 -262.690211 2.4177 BFGS: 418 00:43:32 -262.690597 2.4178 BFGS: 419 00:43:32 -262.690925 2.4163 BFGS: 420 00:43:32 -262.691228 2.4154 BFGS: 421 00:43:32 -262.691484 2.4136 BFGS: 422 00:43:33 -262.691715 2.4121 BFGS: 423 00:43:33 -262.691903 2.4098 BFGS: 424 00:43:33 -262.692069 2.4079 BFGS: 425 00:43:33 -262.692196 2.4047 BFGS: 426 00:43:33 -262.692310 2.4027 BFGS: 427 00:43:33 -262.692383 2.3979 BFGS: 428 00:43:33 -262.692472 2.3964 BFGS: 429 00:43:33 -262.692598 2.3909 BFGS: 430 00:43:33 -262.692781 2.3820 BFGS: 431 00:43:33 -262.692850 2.3790 BFGS: 432 00:43:33 -262.692870 2.3756 BFGS: 433 00:43:33 -262.692879 2.3693 BFGS: 434 00:43:33 -262.692882 2.3671 BFGS: 435 00:43:33 -262.692883 2.3643 BFGS: 436 00:43:33 -262.692883 2.3603 BFGS: 437 00:43:33 -262.692883 2.3601 BFGS: 438 00:43:33 -262.692883 2.3603 BFGS: 439 00:43:33 -262.692883 2.3604 BFGS: 440 00:43:33 -262.692883 2.3605 BFGS: 441 00:43:33 -262.692883 2.3605 BFGS: 442 00:43:33 -262.692883 2.3605 BFGS: 443 00:43:33 -262.692883 2.3605 BFGS: 444 00:43:33 -262.692883 2.3605 BFGS: 445 00:43:33 -262.692883 2.3605 BFGS: 446 00:43:33 -262.692883 2.3605 BFGS: 447 00:43:33 -262.692883 2.3605 BFGS: 448 00:43:33 -262.692883 2.3605 BFGS: 449 00:43:33 -262.692883 2.3605 BFGS: 450 00:43:33 -262.692883 2.3605 BFGS: 451 00:43:34 -262.692883 2.3605 BFGS: 452 00:43:34 -262.692883 2.3605 BFGS: 453 00:43:34 -262.692883 2.3606 BFGS: 454 00:43:34 -262.692883 2.3606 BFGS: 455 00:43:34 -262.692883 2.3607 BFGS: 456 00:43:34 -262.692883 2.3609 BFGS: 457 00:43:34 -262.692883 2.3612 BFGS: 458 00:43:34 -262.692883 2.3617 BFGS: 459 00:43:34 -262.692883 2.3624 BFGS: 460 00:43:34 -262.692884 2.3637 BFGS: 461 00:43:34 -262.692885 2.3657 BFGS: 462 00:43:34 -262.692888 2.3689 BFGS: 463 00:43:34 -262.692895 2.3742 BFGS: 464 00:43:34 -262.692914 2.3829 BFGS: 465 00:43:34 -262.692964 2.3972 BFGS: 466 00:43:34 -262.693095 2.4208 BFGS: 467 00:43:34 -262.693439 2.4607 BFGS: 468 00:43:34 -262.694344 2.5292 BFGS: 469 00:43:34 -262.696736 2.6513 BFGS: 470 00:43:34 -262.701949 2.8275 BFGS: 471 00:43:34 -262.712051 3.0650 BFGS: 472 00:43:34 -262.729687 3.3794 BFGS: 473 00:43:34 -262.758005 3.7879 BFGS: 474 00:43:34 -262.796065 4.2713 BFGS: 475 00:43:34 -262.863361 5.0366 BFGS: 476 00:43:34 -262.923884 5.6601 BFGS: 477 00:43:34 -263.042136 6.7329 BFGS: 478 00:43:34 -263.069612 6.9101 BFGS: 479 00:43:34 -263.103386 7.1265 BFGS: 480 00:43:34 -263.129928 7.2352 BFGS: 481 00:43:35 -263.253344 7.6981 BFGS: 482 00:43:35 -263.315351 7.8332 BFGS: 483 00:43:35 -263.397754 7.9588 BFGS: 484 00:43:35 -263.475268 8.0245 BFGS: 485 00:43:35 -263.561749 8.0552 BFGS: 486 00:43:35 -263.644765 8.0532 BFGS: 487 00:43:35 -263.735951 8.0239 BFGS: 488 00:43:35 -263.821527 7.9786 BFGS: 489 00:43:35 -263.918587 7.9084 BFGS: 490 00:43:35 -264.002811 7.8389 BFGS: 491 00:43:35 -264.114738 7.7128 BFGS: 492 00:43:35 -264.186632 7.6399 BFGS: 493 00:43:35 -264.305420 7.5102 BFGS: 494 00:43:35 -264.384979 7.4103 BFGS: 495 00:43:35 -264.485999 7.2885 BFGS: 496 00:43:35 -264.572983 7.1725 BFGS: 497 00:43:35 -264.674176 7.0497 BFGS: 498 00:43:35 -264.765723 6.9177 BFGS: 499 00:43:35 -264.863794 6.7888 BFGS: 500 00:43:35 -264.960989 6.6552 BFGS: 501 00:43:35 -265.057324 6.5259 BFGS: 502 00:43:35 -265.157612 6.3891 BFGS: 503 00:43:35 -265.255422 6.2548 BFGS: 504 00:43:35 -265.356638 6.1184 BFGS: 505 00:43:35 -265.453058 5.9923 BFGS: 506 00:43:35 -265.559456 5.8549 BFGS: 507 00:43:35 -265.655782 5.7306 BFGS: 508 00:43:35 -265.769635 5.5788 BFGS: 509 00:43:35 -265.857271 5.4772 BFGS: 510 00:43:35 -265.976294 5.3207 BFGS: 511 00:43:36 -266.065722 5.2228 BFGS: 512 00:43:36 -266.178682 5.0767 BFGS: 513 00:43:36 -266.273102 5.0135 BFGS: 514 00:43:36 -266.380135 4.9991 BFGS: 515 00:43:36 -266.480381 4.9711 BFGS: 516 00:43:36 -266.583323 4.9306 BFGS: 517 00:43:36 -266.683779 4.8949 BFGS: 518 00:43:36 -266.788024 4.8390 BFGS: 519 00:43:36 -266.886840 4.7838 BFGS: 520 00:43:36 -266.990330 4.7105 BFGS: 521 00:43:36 -267.087980 4.6395 BFGS: 522 00:43:36 -267.190453 4.5465 BFGS: 523 00:43:36 -267.284540 4.4641 BFGS: 524 00:43:36 -267.387161 4.3459 BFGS: 525 00:43:36 -267.477178 4.2516 BFGS: 526 00:43:36 -267.576090 4.1207 BFGS: 527 00:43:36 -267.660055 4.0163 BFGS: 528 00:43:36 -267.758587 3.8545 BFGS: 529 00:43:36 -267.835381 3.7493 BFGS: 530 00:43:36 -267.935393 3.5461 BFGS: 531 00:43:36 -268.003755 3.4288 BFGS: 532 00:43:36 -268.096663 3.2159 BFGS: 533 00:43:36 -268.160119 3.0911 BFGS: 534 00:43:36 -268.239692 2.9474 BFGS: 535 00:43:36 -268.300470 2.8086 BFGS: 536 00:43:36 -268.366449 2.6397 BFGS: 537 00:43:36 -268.423946 2.4822 BFGS: 538 00:43:36 -268.476410 2.2995 BFGS: 539 00:43:36 -268.528340 2.1197 BFGS: 540 00:43:36 -268.570050 1.9254 BFGS: 541 00:43:36 -268.612946 1.7179 BFGS: 542 00:43:37 -268.644555 1.5081 BFGS: 543 00:43:37 -268.676856 1.2710 BFGS: 544 00:43:37 -268.697770 1.0440 BFGS: 545 00:43:37 -268.717614 0.7704 BFGS: 546 00:43:37 -268.727189 0.7363 BFGS: 547 00:43:37 -268.732366 0.6769 BFGS: 548 00:43:37 -268.733559 0.6653 BFGS: 549 00:43:37 -268.735511 0.6237 BFGS: 550 00:43:37 -268.738281 0.3626 BFGS: 551 00:43:37 -268.738910 0.3782 BFGS: 552 00:43:37 -268.740196 0.2974 BFGS: 553 00:43:37 -268.742190 0.2040 BFGS: 554 00:43:37 -268.743521 0.1603 BFGS: 555 00:43:37 -268.745168 0.2134 BFGS: 556 00:43:37 -268.747181 0.2252 BFGS: 557 00:43:37 -268.749559 0.2175 BFGS: 558 00:43:37 -268.751684 0.1802 BFGS: 559 00:43:37 -268.753671 0.1495 BFGS: 560 00:43:37 -268.755240 0.1349 BFGS: 561 00:43:37 -268.756585 0.0867 BFGS: 562 00:43:37 -268.757338 0.0819 BFGS: 563 00:43:37 -268.757729 0.0522 BFGS: 564 00:43:37 -268.757885 0.0395 BFGS: 565 00:43:37 -268.758013 0.0319 BFGS: 566 00:43:37 -268.758204 0.0235 BFGS: 567 00:43:37 -268.758240 0.0135 BFGS: 568 00:43:37 -268.758249 0.0039 BFGS: 569 00:43:37 -268.758249 0.0014 BFGS: 570 00:43:37 -268.758249 0.0002 BFGS: 571 00:43:37 -268.758249 0.0001 BFGS: 572 00:43:37 -268.758249 0.0000 BFGS: 573 00:43:37 -268.758249 0.0000 BFGS: 574 00:43:38 -268.758249 0.0000 BFGS: 575 00:43:38 -268.758249 0.0000 BFGS: 576 00:43:38 -268.758249 0.0000 BFGS: 577 00:43:38 -268.758249 0.0000 BFGS: 578 00:43:38 -268.758249 0.0000 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.