element(s): ['O', 'Si'] AFLOW prototype label: A2B_oF216_69_himn3p_f2mp Parameter names: ['a', 'b/a', 'c/a', 'y2', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'x7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['17.7678', '0.77069193', '1.0163498', '0.30258737', '0.14901072', '0.81312348', '0.11580757', '0.30035649', '0.91112624', '0.39011746', '0.68350519', '0.84874492', '0.31836228', '0.80138639', '0.31809018', '0.80381751', '0.92508985', '0.37370542', '0.73399681', '0.92491515', '0.35608132', '0.88131546', '0.87530517', '0.38693959', '0.80936779'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0.30258737 0. ] [0. 0. 0.14901072] [0. 0.81312348 0.11580757] [0.84874492 0. 0.31836228] [0.80138639 0.81809018 0.30381751] [0.92508985 0.37370542 0.73399681] [0.92491515 0.35608132 0.88131546] [0.25 0.25 0.25 ] [0. 0.30035649 0.91112624] [0. 0.39011746 0.68350519] [0.87530517 0.38693959 0.80936779]] spacegroup = 69 cell = [[17.7678, 0, 0], [0, 13.6935, 0], [0, 0, 18.0583]] ========================================= Step Time Energy fmax BFGS: 0 17:56:11 -908.786864 23.417107 BFGS: 1 17:56:13 -1007.493191 22.459077 BFGS: 2 17:56:14 -1104.503445 17.463549 BFGS: 3 17:56:15 -1182.573175 22.238494 BFGS: 4 17:56:17 -1255.940460 18.561438 BFGS: 5 17:56:19 -1309.966023 13.197023 BFGS: 6 17:56:21 -1351.840114 11.798419 BFGS: 7 17:56:23 -1385.565293 9.529220 BFGS: 8 17:56:24 -1411.467844 6.104686 BFGS: 9 17:56:26 -1427.720004 5.580552 BFGS: 10 17:56:27 -1438.623386 4.084085 BFGS: 11 17:56:29 -1444.004324 3.678208 BFGS: 12 17:56:30 -1447.698201 4.206682 BFGS: 13 17:56:32 -1451.177396 4.566347 BFGS: 14 17:56:34 -1454.798394 4.840577 BFGS: 15 17:56:35 -1458.533656 5.062792 BFGS: 16 17:56:36 -1462.354990 5.248932 BFGS: 17 17:56:38 -1466.234130 5.407063 BFGS: 18 17:56:40 -1470.147608 5.539652 BFGS: 19 17:56:41 -1474.088942 5.655716 BFGS: 20 17:56:42 -1478.056885 5.759979 BFGS: 21 17:56:44 -1482.050036 5.855449 BFGS: 22 17:56:45 -1486.064859 5.940980 BFGS: 23 17:56:46 -1490.096574 6.022669 BFGS: 24 17:56:47 -1494.133910 6.600197 BFGS: 25 17:56:48 -1498.165989 7.339797 BFGS: 26 17:56:48 -1502.177480 8.086859 BFGS: 27 17:56:49 -1506.157752 8.830311 BFGS: 28 17:56:50 -1510.088770 9.559276 BFGS: 29 17:56:51 -1513.956350 10.278729 BFGS: 30 17:56:52 -1517.741149 10.994893 BFGS: 31 17:56:54 -1521.443808 11.695427 BFGS: 32 17:56:55 -1525.070778 12.388981 BFGS: 33 17:56:57 -1528.640638 13.080881 BFGS: 34 17:56:59 -1532.177843 13.769722 BFGS: 35 17:57:00 -1535.712133 14.465085 BFGS: 36 17:57:02 -1539.274635 15.162200 BFGS: 37 17:57:03 -1542.890746 15.886798 BFGS: 38 17:57:04 -1546.579961 16.638932 BFGS: 39 17:57:05 -1550.331640 17.430556 BFGS: 40 17:57:06 -1554.089906 18.273252 BFGS: 41 17:57:08 -1557.861387 19.163001 BFGS: 42 17:57:12 -1561.650372 20.121548 BFGS: 43 17:57:14 -1565.453698 21.131901 BFGS: 44 17:57:15 -1569.264119 22.227075 BFGS: 45 17:57:16 -1573.078364 23.360654 BFGS: 46 17:57:17 -1576.899246 24.591056 BFGS: 47 17:57:19 -1580.704320 25.832043 BFGS: 48 17:57:21 -1584.477467 27.186489 BFGS: 49 17:57:22 -1588.189848 28.344627 BFGS: 50 17:57:23 -1591.838354 29.934863 BFGS: 51 17:57:25 -1595.341078 30.238062 BFGS: 52 17:57:26 -1598.785449 32.965445 BFGS: 53 17:57:27 -1602.032735 32.192597 BFGS: 54 17:57:29 -1605.264083 33.658973 BFGS: 55 17:57:30 -1608.447298 33.711540 BFGS: 56 17:57:31 -1611.654359 34.083894 BFGS: 57 17:57:33 -1614.888643 34.101868 BFGS: 58 17:57:34 -1618.166507 34.111816 BFGS: 59 17:57:36 -1621.485658 34.000131 BFGS: 60 17:57:37 -1624.847914 33.849119 BFGS: 61 17:57:38 -1628.263713 33.632938 BFGS: 62 17:57:39 -1631.726824 33.360320 BFGS: 63 17:57:40 -1635.241821 33.065376 BFGS: 64 17:57:41 -1638.808678 32.722514 BFGS: 65 17:57:43 -1642.425379 32.356223 BFGS: 66 17:57:44 -1646.088600 31.966005 BFGS: 67 17:57:45 -1649.789958 31.562287 BFGS: 68 17:57:46 -1653.522050 31.307841 BFGS: 69 17:57:47 -1657.274059 31.537354 BFGS: 70 17:57:49 -1661.040725 31.756400 BFGS: 71 17:57:50 -1664.818079 31.962710 BFGS: 72 17:57:52 -1668.601916 32.159841 BFGS: 73 17:57:53 -1672.389728 32.346407 BFGS: 74 17:57:55 -1676.180011 32.524391 BFGS: 75 17:57:56 -1679.970315 32.693925 BFGS: 76 17:57:58 -1683.762095 32.854650 BFGS: 77 17:58:00 -1687.554096 33.009720 BFGS: 78 17:58:01 -1691.340073 33.152891 BFGS: 79 17:58:01 -1695.117357 33.295594 BFGS: 80 17:58:02 -1698.888734 33.424600 BFGS: 81 17:58:03 -1702.651071 33.553084 BFGS: 82 17:58:05 -1706.408052 33.667408 BFGS: 83 17:58:06 -1710.159663 33.779827 BFGS: 84 17:58:07 -1713.905803 33.879179 BFGS: 85 17:58:08 -1717.647634 33.974670 BFGS: 86 17:58:09 -1721.385779 34.059000 BFGS: 87 17:58:10 -1725.124033 34.136050 BFGS: 88 17:58:11 -1728.858941 34.200363 BFGS: 89 17:58:13 -1732.592814 34.257590 BFGS: 90 17:58:14 -1736.324894 34.303043 BFGS: 91 17:58:15 -1740.057536 34.337245 BFGS: 92 17:58:16 -1743.788897 34.361779 BFGS: 93 17:58:17 -1747.521901 34.370334 BFGS: 94 17:58:18 -1751.252740 34.372873 BFGS: 95 17:58:19 -1754.987192 34.352516 BFGS: 96 17:58:20 -1758.715229 34.335385 BFGS: 97 17:58:22 -1762.449145 34.277859 BFGS: 98 17:58:24 -1766.171125 34.247058 BFGS: 99 17:58:25 -1769.901519 34.150216 BFGS: 100 17:58:27 -1773.608526 34.595381 BFGS: 101 17:58:30 -1777.334940 35.533285 BFGS: 102 17:58:31 -1781.036249 36.447675 BFGS: 103 17:58:32 -1784.752783 37.399203 BFGS: 104 17:58:34 -1788.457377 38.350135 BFGS: 105 17:58:35 -1792.168471 39.335424 BFGS: 106 17:58:36 -1795.878897 40.338759 BFGS: 107 17:58:37 -1799.594094 41.372723 BFGS: 108 17:58:38 -1803.311115 42.431869 BFGS: 109 17:58:39 -1807.032699 43.516797 BFGS: 110 17:58:39 -1810.757022 44.624600 BFGS: 111 17:58:41 -1814.485928 45.750608 BFGS: 112 17:58:42 -1818.217956 46.888196 BFGS: 113 17:58:43 -1821.954965 48.021482 BFGS: 114 17:58:44 -1825.697232 49.137018 BFGS: 115 17:58:45 -1829.450175 50.209421 BFGS: 116 17:58:46 -1833.220734 51.219898 BFGS: 117 17:58:47 -1837.027753 52.140994 BFGS: 118 17:58:49 -1840.881907 52.997338 BFGS: 119 17:58:50 -1844.809866 53.761411 BFGS: 120 17:58:51 -1848.805860 54.501650 BFGS: 121 17:58:52 -1852.880712 55.177106 BFGS: 122 17:58:53 -1856.989834 55.861962 BFGS: 123 17:58:55 -1861.101870 56.532528 BFGS: 124 17:58:56 -1865.212839 57.176208 BFGS: 125 17:58:57 -1869.319967 57.792428 BFGS: 126 17:58:58 -1873.415768 58.371578 BFGS: 127 17:58:59 -1877.493783 58.919107 BFGS: 128 17:59:00 -1881.556843 59.426356 BFGS: 129 17:59:01 -1885.602194 59.909810 BFGS: 130 17:59:02 -1889.639511 60.349211 BFGS: 131 17:59:04 -1893.662200 60.779415 BFGS: 132 17:59:06 -1897.685924 61.156226 BFGS: 133 17:59:08 -1901.697122 61.542818 BFGS: 134 17:59:10 -1905.716958 61.859640 BFGS: 135 17:59:11 -1909.725953 62.196327 BFGS: 136 17:59:13 -1913.745805 62.455916 BFGS: 137 17:59:14 -1917.759848 62.724284 BFGS: 138 17:59:16 -1921.783514 62.920448 BFGS: 139 17:59:17 -1925.807774 63.106748 BFGS: 140 17:59:18 -1929.842062 63.225033 BFGS: 141 17:59:19 -1933.879984 63.317604 BFGS: 142 17:59:20 -1937.929863 63.342603 BFGS: 143 17:59:22 -1941.996145 63.331447 BFGS: 144 17:59:24 -1946.080298 63.255507 BFGS: 145 17:59:25 -1950.193282 63.137906 BFGS: 146 17:59:26 -1954.331891 62.964754 BFGS: 147 17:59:28 -1958.501187 62.758039 BFGS: 148 17:59:28 -1962.692238 62.509304 BFGS: 149 17:59:28 -1966.910745 62.231054 BFGS: 150 17:59:29 -1971.131666 61.936615 BFGS: 151 17:59:29 -1975.370728 61.596560 BFGS: 152 17:59:30 -1979.628399 61.229728 BFGS: 153 17:59:31 -1983.916148 60.821981 BFGS: 154 17:59:32 -1988.225590 60.390006 BFGS: 155 17:59:33 -1992.570304 59.925002 BFGS: 156 17:59:34 -1996.925954 59.443909 BFGS: 157 17:59:35 -2001.338581 58.931875 BFGS: 158 17:59:37 -2005.838826 58.386429 BFGS: 159 17:59:38 -2010.503727 57.799359 BFGS: 160 17:59:39 -2015.407783 57.150785 BFGS: 161 17:59:40 -2020.704049 56.468724 BFGS: 162 17:59:41 -2026.488971 55.648759 BFGS: 163 17:59:43 -2033.027297 54.898691 BFGS: 164 17:59:44 -2040.471679 53.664358 BFGS: 165 17:59:45 -2050.130215 54.211392 BFGS: 166 17:59:46 -2059.743961 53.818244 BFGS: 167 17:59:47 -2072.073919 52.665166 BFGS: 168 17:59:48 -2088.063931 51.156800 BFGS: 169 17:59:49 -2109.226143 49.424763 BFGS: 170 17:59:50 -2136.955084 47.693909 BFGS: 171 17:59:51 -2172.203054 45.958201 BFGS: 172 17:59:52 -2216.291135 45.182713 BFGS: 173 17:59:53 -2263.193566 46.216150 BFGS: 174 17:59:54 -2310.989460 45.906889 BFGS: 175 17:59:55 -2343.236130 43.323330 BFGS: 176 17:59:56 -2381.149136 48.945893 BFGS: 177 17:59:57 -2417.624655 49.230214 BFGS: 178 17:59:58 -2445.058020 49.811521 BFGS: 179 17:59:59 -2470.384499 50.085210 BFGS: 180 17:59:59 -2492.197687 50.155309 BFGS: 181 18:00:00 -2513.082603 50.174734 BFGS: 182 18:00:01 -2532.744851 50.141177 BFGS: 183 18:00:02 -2551.866941 50.001708 BFGS: 184 18:00:03 -2570.350026 49.863312 BFGS: 185 18:00:03 -2588.441149 49.551660 BFGS: 186 18:00:04 -2605.952590 49.280162 BFGS: 187 18:00:05 -2623.103008 48.745456 BFGS: 188 18:00:06 -2639.506411 48.341144 BFGS: 189 18:00:07 -2655.466980 47.593018 BFGS: 190 18:00:07 -2670.440710 47.069996 BFGS: 191 18:00:08 -2684.845296 46.194744 BFGS: 192 18:00:09 -2698.049623 45.551132 BFGS: 193 18:00:09 -2710.443892 44.706157 BFGS: 194 18:00:10 -2721.674724 43.997954 BFGS: 195 18:00:11 -2732.019643 43.236157 BFGS: 196 18:00:13 -2741.435610 42.549396 BFGS: 197 18:00:16 -2750.139233 41.859028 BFGS: 198 18:00:17 -2758.202952 41.209129 BFGS: 199 18:00:18 -2765.769739 40.563533 BFGS: 200 18:00:19 -2772.901753 39.934382 BFGS: 201 18:00:20 -2779.691108 39.305133 BFGS: 202 18:00:21 -2786.189285 38.678026 BFGS: 203 18:00:22 -2792.445615 38.049627 BFGS: 204 18:00:23 -2798.500977 37.418496 BFGS: 205 18:00:25 -2804.332601 36.788834 BFGS: 206 18:00:26 -2809.962192 36.167502 BFGS: 207 18:00:27 -2815.434988 35.547728 BFGS: 208 18:00:28 -2820.782466 34.936040 BFGS: 209 18:00:28 -2826.046100 34.328047 BFGS: 210 18:00:30 -2831.251960 33.725913 BFGS: 211 18:00:31 -2836.429306 33.127390 BFGS: 212 18:00:32 -2841.596667 32.532786 BFGS: 213 18:00:33 -2846.769826 31.941628 BFGS: 214 18:00:35 -2851.953892 31.355360 BFGS: 215 18:00:36 -2857.147108 30.776193 BFGS: 216 18:00:36 -2862.354872 30.199233 BFGS: 217 18:00:36 -2867.583523 29.623594 BFGS: 218 18:00:36 -2872.837356 29.049453 BFGS: 219 18:00:37 -2878.119731 28.477699 BFGS: 220 18:00:37 -2883.432593 27.909240 BFGS: 221 18:00:37 -2888.777314 27.345160 BFGS: 222 18:00:37 -2894.154247 26.786541 BFGS: 223 18:00:37 -2899.563316 26.234525 BFGS: 224 18:00:38 -2905.003623 25.690249 BFGS: 225 18:00:38 -2910.473898 25.154859 BFGS: 226 18:00:38 -2915.972508 24.629469 BFGS: 227 18:00:39 -2921.502063 24.115011 BFGS: 228 18:00:39 -2927.052353 23.612607 BFGS: 229 18:00:40 -2932.623081 23.123030 BFGS: 230 18:00:40 -2938.208650 22.647426 BFGS: 231 18:00:41 -2943.808156 22.186083 BFGS: 232 18:00:42 -2949.419575 21.741010 BFGS: 233 18:00:43 -2955.038723 21.309588 BFGS: 234 18:00:44 -2960.658347 20.893515 BFGS: 235 18:00:45 -2966.280840 20.492054 BFGS: 236 18:00:47 -2971.899841 20.105470 BFGS: 237 18:00:48 -2977.519179 19.732205 BFGS: 238 18:00:49 -2983.130594 19.372777 BFGS: 239 18:00:50 -2988.741303 19.025142 BFGS: 240 18:00:51 -2994.349097 18.687339 BFGS: 241 18:00:53 -2999.954878 18.359879 BFGS: 242 18:00:54 -3005.553869 18.043855 BFGS: 243 18:00:55 -3011.153355 17.729822 BFGS: 244 18:00:56 -3016.748770 17.772187 BFGS: 245 18:00:58 -3022.347688 17.963609 BFGS: 246 18:00:59 -3027.944679 18.188641 BFGS: 247 18:01:00 -3033.550041 18.460398 BFGS: 248 18:01:01 -3039.132412 18.772645 BFGS: 249 18:01:02 -3044.677092 19.142394 BFGS: 250 18:01:04 -3050.171371 19.555674 BFGS: 251 18:01:05 -3055.634952 20.040912 BFGS: 252 18:01:06 -3061.050186 20.616424 BFGS: 253 18:01:07 -3066.443098 21.832916 BFGS: 254 18:01:07 -3071.791273 22.938802 BFGS: 255 18:01:08 -3077.127591 24.224761 BFGS: 256 18:01:10 -3082.420918 25.410719 BFGS: 257 18:01:11 -3087.690032 26.731389 BFGS: 258 18:01:12 -3092.914264 27.981091 BFGS: 259 18:01:12 -3098.096750 29.309383 BFGS: 260 18:01:13 -3103.217892 30.570123 BFGS: 261 18:01:14 -3108.259447 31.864607 BFGS: 262 18:01:16 -3113.185373 33.022461 BFGS: 263 18:01:17 -3117.969552 34.155736 BFGS: 264 18:01:18 -3122.573572 35.096819 BFGS: 265 18:01:20 -3126.978376 35.960006 BFGS: 266 18:01:22 -3131.163887 36.600030 BFGS: 267 18:01:23 -3135.135126 37.159352 BFGS: 268 18:01:24 -3138.898951 37.513285 BFGS: 269 18:01:26 -3142.480318 37.834219 BFGS: 270 18:01:26 -3145.895876 37.979415 BFGS: 271 18:01:27 -3149.173915 38.161072 BFGS: 272 18:01:28 -3152.327725 38.180230 BFGS: 273 18:01:29 -3155.385422 38.286384 BFGS: 274 18:01:30 -3158.360122 38.234844 BFGS: 275 18:01:31 -3161.273177 38.308784 BFGS: 276 18:01:32 -3164.133794 38.223691 BFGS: 277 18:01:33 -3166.961781 38.453285 BFGS: 278 18:01:34 -3169.762912 38.689420 BFGS: 279 18:01:35 -3172.554542 38.938117 BFGS: 280 18:01:36 -3175.341403 39.180021 BFGS: 281 18:01:37 -3178.130585 39.420554 BFGS: 282 18:01:38 -3180.952659 39.660292 BFGS: 283 18:01:39 -3183.844884 39.907134 BFGS: 284 18:01:40 -3186.848138 40.159114 BFGS: 285 18:01:41 -3190.015284 40.439070 BFGS: 286 18:01:42 -3193.407427 40.733595 BFGS: 287 18:01:43 -3197.100051 41.085543 BFGS: 288 18:01:44 -3201.180428 41.456440 BFGS: 289 18:01:45 -3205.734695 41.934555 BFGS: 290 18:01:46 -3210.841569 42.405588 BFGS: 291 18:01:47 -3216.525382 43.068162 BFGS: 292 18:01:48 -3222.751980 43.552615 BFGS: 293 18:01:50 -3229.182495 45.018693 BFGS: 294 18:01:51 -3235.492392 45.688515 BFGS: 295 18:01:53 -3240.854204 46.170393 BFGS: 296 18:01:54 -3245.322516 46.493392 BFGS: 297 18:01:55 -3249.229200 46.700637 BFGS: 298 18:01:57 -3252.815910 46.825529 BFGS: 299 18:01:58 -3256.211562 46.881680 BFGS: 300 18:02:00 -3259.485552 46.887876 BFGS: 301 18:02:01 -3262.671934 46.848342 BFGS: 302 18:02:03 -3265.788928 46.778168 BFGS: 303 18:02:04 -3268.839546 46.673738 BFGS: 304 18:02:05 -3271.822350 46.550962 BFGS: 305 18:02:07 -3274.724215 46.396522 BFGS: 306 18:02:08 -3277.535565 46.235270 BFGS: 307 18:02:09 -3280.235424 46.037380 BFGS: 308 18:02:10 -3282.819904 45.850876 BFGS: 309 18:02:10 -3285.269173 45.612929 BFGS: 310 18:02:11 -3287.599108 45.418455 BFGS: 311 18:02:13 -3289.791685 45.143771 BFGS: 312 18:02:16 -3291.885629 44.955173 BFGS: 313 18:02:17 -3293.858541 44.661772 BFGS: 314 18:02:18 -3295.756660 44.464687 BFGS: 315 18:02:20 -3297.560112 44.188144 BFGS: 316 18:02:21 -3299.302956 43.970465 BFGS: 317 18:02:21 -3300.977999 43.717271 BFGS: 318 18:02:23 -3302.604927 43.492051 BFGS: 319 18:02:23 -3304.183978 43.255243 BFGS: 320 18:02:24 -3305.725812 43.031524 BFGS: 321 18:02:25 -3307.232235 42.808157 BFGS: 322 18:02:26 -3308.709901 42.594485 BFGS: 323 18:02:27 -3310.160938 42.383126 BFGS: 324 18:02:29 -3311.589626 42.178657 BFGS: 325 18:02:29 -3312.997642 41.979037 BFGS: 326 18:02:31 -3314.387903 41.784928 BFGS: 327 18:02:32 -3315.762113 41.594808 BFGS: 328 18:02:33 -3317.121921 41.410707 BFGS: 329 18:02:34 -3318.468470 41.230898 BFGS: 330 18:02:36 -3319.803368 41.056255 BFGS: 331 18:02:37 -3321.127464 40.885682 BFGS: 332 18:02:38 -3322.442091 40.717628 BFGS: 333 18:02:40 -3323.747537 40.555807 BFGS: 334 18:02:41 -3325.044843 40.398184 BFGS: 335 18:02:42 -3326.334509 40.243903 BFGS: 336 18:02:43 -3327.617287 40.093500 BFGS: 337 18:02:44 -3328.893568 39.946308 BFGS: 338 18:02:45 -3330.163954 39.802642 BFGS: 339 18:02:47 -3331.428766 39.661970 BFGS: 340 18:02:48 -3332.688492 39.524509 BFGS: 341 18:02:49 -3333.943395 39.389806 BFGS: 342 18:02:50 -3335.193880 39.258038 BFGS: 343 18:02:51 -3336.440162 39.128804 BFGS: 344 18:02:52 -3337.682582 39.002259 BFGS: 345 18:02:53 -3338.921316 38.878040 BFGS: 346 18:02:54 -3340.156654 38.756289 BFGS: 347 18:02:56 -3341.388742 38.636674 BFGS: 348 18:02:58 -3342.617828 38.519328 BFGS: 349 18:02:59 -3343.844034 38.403944 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18:09:19 -3604.786721 12.280372 BFGS: 707 18:09:20 -3604.964259 12.290149 BFGS: 708 18:09:21 -3605.141297 12.299981 BFGS: 709 18:09:22 -3605.317916 12.309771 BFGS: 710 18:09:23 -3605.493964 12.319895 BFGS: 711 18:09:24 -3605.669547 12.329767 BFGS: 712 18:09:25 -3605.844688 12.339976 BFGS: 713 18:09:26 -3606.019380 12.350012 BFGS: 714 18:09:27 -3606.193669 12.360305 BFGS: 715 18:09:28 -3606.367540 12.370477 BFGS: 716 18:09:30 -3606.541037 12.380856 BFGS: 717 18:09:31 -3606.714228 12.391150 BFGS: 718 18:09:32 -3606.887075 12.401422 BFGS: 719 18:09:33 -3607.059507 12.412004 BFGS: 720 18:09:34 -3607.231613 12.422394 BFGS: 721 18:09:35 -3607.403408 12.433032 BFGS: 722 18:09:36 -3607.574891 12.443553 BFGS: 723 18:09:37 -3607.746091 12.454253 BFGS: 724 18:09:39 -3607.917003 12.464878 BFGS: 725 18:09:40 -3608.087655 12.475642 BFGS: 726 18:09:41 -3608.258042 12.486355 BFGS: 727 18:09:41 -3608.428190 12.497181 BFGS: 728 18:09:43 -3608.598096 12.507973 BFGS: 729 18:09:44 -3608.767783 12.518858 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12.786187 BFGS: 754 18:10:09 -3612.961626 12.797500 BFGS: 755 18:10:10 -3613.128260 12.808823 BFGS: 756 18:10:11 -3613.294857 12.820149 BFGS: 757 18:10:12 -3613.461423 12.831482 BFGS: 758 18:10:12 -3613.627961 12.842818 BFGS: 759 18:10:13 -3613.794476 12.854160 BFGS: 760 18:10:14 -3613.960971 12.865504 BFGS: 761 18:10:14 -3614.127450 12.876853 BFGS: 762 18:10:15 -3614.293917 12.888202 BFGS: 763 18:10:16 -3614.460460 12.905904 BFGS: 764 18:10:18 -3614.627046 12.917127 BFGS: 765 18:10:19 -3614.793623 12.928573 BFGS: 766 18:10:20 -3614.960225 12.939838 BFGS: 767 18:10:21 -3615.126816 12.951257 BFGS: 768 18:10:22 -3615.293424 12.962543 BFGS: 769 18:10:23 -3615.460035 12.973945 BFGS: 770 18:10:23 -3615.626660 12.985244 BFGS: 771 18:10:24 -3615.793297 12.996632 BFGS: 772 18:10:25 -3615.959952 13.007936 BFGS: 773 18:10:26 -3616.126625 13.019310 BFGS: 774 18:10:27 -3616.293319 13.030617 BFGS: 775 18:10:27 -3616.460038 13.041978 BFGS: 776 18:10:28 -3616.626782 13.053283 BFGS: 777 18:10:30 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18:10:56 -3620.810075 13.337582 BFGS: 802 18:10:57 -3620.978146 13.348682 BFGS: 803 18:10:58 -3621.146282 13.359795 BFGS: 804 18:10:59 -3621.314480 13.370876 BFGS: 805 18:11:01 -3621.482744 13.381964 BFGS: 806 18:11:02 -3621.651072 13.393024 BFGS: 807 18:11:04 -3621.819467 13.404088 BFGS: 808 18:11:05 -3621.987928 13.415126 BFGS: 809 18:11:06 -3622.156456 13.426163 BFGS: 810 18:11:07 -3622.325052 13.437178 BFGS: 811 18:11:09 -3622.493717 13.448190 BFGS: 812 18:11:10 -3622.662450 13.459181 BFGS: 813 18:11:11 -3622.831253 13.470167 BFGS: 814 18:11:13 -3623.000126 13.481133 BFGS: 815 18:11:13 -3623.169069 13.492092 BFGS: 816 18:11:15 -3623.338083 13.503033 BFGS: 817 18:11:16 -3623.507167 13.513964 BFGS: 818 18:11:17 -3623.676365 13.524878 BFGS: 819 18:11:18 -3623.845553 13.535900 BFGS: 820 18:11:18 -3624.014840 13.546789 BFGS: 821 18:11:19 -3624.184188 13.557692 BFGS: 822 18:11:20 -3624.353623 13.568550 BFGS: 823 18:11:21 -3624.523127 13.579418 BFGS: 824 18:11:21 -3624.692710 13.590245 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13.849297 BFGS: 849 18:11:42 -3628.957750 13.859717 BFGS: 850 18:11:43 -3629.129316 13.870251 BFGS: 851 18:11:44 -3629.300937 13.880647 BFGS: 852 18:11:44 -3629.472642 13.891104 BFGS: 853 18:11:45 -3629.644411 13.901470 BFGS: 854 18:11:46 -3629.816257 13.911866 BFGS: 855 18:11:47 -3629.988172 13.922198 BFGS: 856 18:11:47 -3630.160161 13.932542 BFGS: 857 18:11:48 -3630.332220 13.942835 BFGS: 858 18:11:50 -3630.504353 13.953129 BFGS: 859 18:11:51 -3630.676555 13.963381 BFGS: 860 18:11:52 -3630.848830 13.973627 BFGS: 861 18:11:52 -3631.021174 13.983836 BFGS: 862 18:11:53 -3631.193590 13.994033 BFGS: 863 18:11:54 -3631.366075 14.004196 BFGS: 864 18:11:56 -3631.538631 14.014345 BFGS: 865 18:11:57 -3631.711256 14.024462 BFGS: 866 18:11:58 -3631.883952 14.034561 BFGS: 867 18:11:59 -3632.056716 14.044629 BFGS: 868 18:12:00 -3632.229549 14.054678 BFGS: 869 18:12:01 -3632.402481 14.064697 BFGS: 870 18:12:02 -3632.575573 14.074523 BFGS: 871 18:12:03 -3632.748707 14.084598 BFGS: 872 18:12:05 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18:12:30 -3637.104344 14.331907 BFGS: 897 18:12:31 -3637.279529 14.341122 BFGS: 898 18:12:31 -3637.454756 14.350301 BFGS: 899 18:12:32 -3637.630027 14.359447 BFGS: 900 18:12:33 -3637.805340 14.368558 BFGS: 901 18:12:35 -3637.980694 14.377632 BFGS: 902 18:12:36 -3638.156091 14.386669 BFGS: 903 18:12:36 -3638.331529 14.395667 BFGS: 904 18:12:38 -3638.507008 14.404626 BFGS: 905 18:12:38 -3638.682591 14.413544 BFGS: 906 18:12:39 -3638.858113 14.422301 BFGS: 907 18:12:40 -3639.033708 14.431115 BFGS: 908 18:12:40 -3639.209401 14.436684 BFGS: 909 18:12:41 -3639.385027 14.444850 BFGS: 910 18:12:42 -3639.560707 14.453534 BFGS: 911 18:12:43 -3639.736465 14.462201 BFGS: 912 18:12:44 -3639.912251 14.470875 BFGS: 913 18:12:45 -3640.088085 14.479453 BFGS: 914 18:12:47 -3640.263956 14.488042 BFGS: 915 18:12:47 -3640.439867 14.496525 BFGS: 916 18:12:48 -3640.615818 14.505018 BFGS: 917 18:12:49 -3640.791807 14.513406 BFGS: 918 18:12:50 -3640.967836 14.521798 BFGS: 919 18:12:51 -3641.143902 14.530090 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6.997630 BFGS: 2603 18:40:37 -4040.296941 6.883036 BFGS: 2604 18:40:37 -4040.617941 6.762056 BFGS: 2605 18:40:38 -4040.953558 6.633711 BFGS: 2606 18:40:38 -4041.291025 6.502462 BFGS: 2607 18:40:39 -4041.617093 6.373757 BFGS: 2608 18:40:39 -4041.933044 6.247797 BFGS: 2609 18:40:40 -4042.239861 6.123786 BFGS: 2610 18:40:41 -4042.538656 6.002244 BFGS: 2611 18:40:41 -4042.830464 5.883237 BFGS: 2612 18:40:42 -4043.116251 5.784280 BFGS: 2613 18:40:42 -4043.396919 5.733529 BFGS: 2614 18:40:43 -4043.673309 5.680974 BFGS: 2615 18:40:44 -4043.946209 5.626652 BFGS: 2616 18:40:45 -4044.216229 5.572376 BFGS: 2617 18:40:45 -4044.477953 5.516094 BFGS: 2618 18:40:46 -4044.731979 5.459734 BFGS: 2619 18:40:46 -4044.979576 5.403215 BFGS: 2620 18:40:47 -4045.221811 5.346631 BFGS: 2621 18:40:48 -4045.459595 5.289891 BFGS: 2622 18:40:48 -4045.693710 5.233055 BFGS: 2623 18:40:49 -4045.924809 5.176068 BFGS: 2624 18:40:49 -4046.153469 5.118938 BFGS: 2625 18:40:50 -4046.380325 5.062319 BFGS: 2626 18:40:50 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18:41:05 -4050.009352 5.564931 BFGS: 2651 18:41:06 -4050.088755 5.595942 BFGS: 2652 18:41:07 -4050.165141 5.626392 BFGS: 2653 18:41:07 -4050.238599 5.657406 BFGS: 2654 18:41:08 -4050.309195 5.688129 BFGS: 2655 18:41:08 -4050.377010 5.718997 BFGS: 2656 18:41:09 -4050.442112 5.749682 BFGS: 2657 18:41:10 -4050.504572 5.780366 BFGS: 2658 18:41:11 -4050.564456 5.810910 BFGS: 2659 18:41:11 -4050.621833 5.841381 BFGS: 2660 18:41:12 -4050.676772 5.871714 BFGS: 2661 18:41:13 -4050.729344 5.901928 BFGS: 2662 18:41:13 -4050.779622 5.931989 BFGS: 2663 18:41:14 -4050.827685 5.961892 BFGS: 2664 18:41:14 -4050.873615 5.991612 BFGS: 2665 18:41:15 -4050.917504 6.021137 BFGS: 2666 18:41:16 -4050.959450 6.050442 BFGS: 2667 18:41:16 -4050.999564 6.079506 BFGS: 2668 18:41:17 -4051.037967 6.108300 BFGS: 2669 18:41:18 -4051.074796 6.136797 BFGS: 2670 18:41:18 -4051.110208 6.164961 BFGS: 2671 18:41:19 -4051.144463 6.189883 BFGS: 2672 18:41:20 -4051.177640 6.217472 BFGS: 2673 18:41:21 -4051.209994 6.244591 BFGS: 2674 18:41:22 -4051.241792 6.271116 BFGS: 2675 18:41:23 -4051.273334 6.296997 BFGS: 2676 18:41:23 -4051.305122 6.322203 BFGS: 2677 18:41:24 -4051.337216 6.345578 BFGS: 2678 18:41:24 -4051.370240 6.369439 BFGS: 2679 18:41:25 -4051.404371 6.392331 BFGS: 2680 18:41:26 -4051.440444 6.414051 BFGS: 2681 18:41:27 -4051.479105 6.434392 BFGS: 2682 18:41:28 -4051.521267 6.453228 BFGS: 2683 18:41:28 -4051.567054 6.470343 BFGS: 2684 18:41:29 -4051.617619 6.485103 BFGS: 2685 18:41:30 -4051.673739 6.498147 BFGS: 2686 18:41:30 -4051.737221 6.507849 BFGS: 2687 18:41:31 -4051.806676 6.514151 BFGS: 2688 18:41:32 -4051.879177 6.515697 BFGS: 2689 18:41:32 -4051.955770 6.512989 BFGS: 2690 18:41:33 -4052.036754 6.505710 BFGS: 2691 18:41:33 -4052.123150 6.493791 BFGS: 2692 18:41:34 -4052.215645 6.477160 BFGS: 2693 18:41:35 -4052.314940 6.455588 BFGS: 2694 18:41:35 -4052.421783 6.428765 BFGS: 2695 18:41:35 -4052.537019 6.396256 BFGS: 2696 18:41:36 -4052.661635 6.357469 BFGS: 2697 18:41:37 -4052.796846 6.311581 BFGS: 2698 18:41:38 -4052.944204 6.257432 BFGS: 2699 18:41:39 -4053.105791 6.193332 BFGS: 2700 18:41:39 -4053.284554 6.116713 BFGS: 2701 18:41:40 -4053.484959 6.023377 BFGS: 2702 18:41:41 -4053.714474 5.905711 BFGS: 2703 18:41:42 -4053.987582 5.747206 BFGS: 2704 18:41:42 -4054.281033 5.549813 BFGS: 2705 18:41:43 -4054.529206 5.357957 BFGS: 2706 18:41:44 -4054.693813 5.231438 BFGS: 2707 18:41:44 -4054.822692 5.143120 BFGS: 2708 18:41:45 -4054.937491 5.074769 BFGS: 2709 18:41:46 -4055.045474 5.018578 BFGS: 2710 18:41:46 -4055.149691 4.970524 BFGS: 2711 18:41:47 -4055.251621 4.928246 BFGS: 2712 18:41:48 -4055.352055 4.890227 BFGS: 2713 18:41:49 -4055.451437 4.855421 BFGS: 2714 18:41:50 -4055.550022 4.823068 BFGS: 2715 18:41:50 -4055.647957 4.792596 BFGS: 2716 18:41:51 -4055.745321 4.763557 BFGS: 2717 18:41:52 -4055.842150 4.735597 BFGS: 2718 18:41:53 -4055.938450 4.708428 BFGS: 2719 18:41:53 -4056.034211 4.681814 BFGS: 2720 18:41:54 -4056.129411 4.655559 BFGS: 2721 18:41:55 -4056.224021 4.629497 BFGS: 2722 18:41:55 -4056.318008 4.615472 BFGS: 2723 18:41:56 -4056.411338 4.632586 BFGS: 2724 18:41:57 -4056.503980 4.649159 BFGS: 2725 18:41:57 -4056.595902 4.665131 BFGS: 2726 18:41:58 -4056.687077 4.680445 BFGS: 2727 18:41:58 -4056.777485 4.695044 BFGS: 2728 18:41:59 -4056.867108 4.708873 BFGS: 2729 18:42:00 -4056.955937 4.721873 BFGS: 2730 18:42:01 -4057.043997 4.734998 BFGS: 2731 18:42:01 -4057.131312 4.746329 BFGS: 2732 18:42:02 -4057.217991 4.756399 BFGS: 2733 18:42:03 -4057.303909 4.765617 BFGS: 2734 18:42:04 -4057.389145 4.773581 BFGS: 2735 18:42:05 -4057.473646 4.780616 BFGS: 2736 18:42:06 -4057.557552 4.785908 BFGS: 2737 18:42:07 -4057.640945 4.789916 BFGS: 2738 18:42:07 -4057.723537 4.794663 BFGS: 2739 18:42:08 -4057.803619 4.795105 BFGS: 2740 18:42:09 -4057.881240 4.794014 BFGS: 2741 18:42:10 -4057.956635 4.790924 BFGS: 2742 18:42:10 -4058.030055 4.786004 BFGS: 2743 18:42:12 -4058.101752 4.779102 BFGS: 2744 18:42:12 -4058.171980 4.770233 BFGS: 2745 18:42:13 -4058.240989 4.759330 BFGS: 2746 18:42:14 -4058.309030 4.746375 BFGS: 2747 18:42:15 -4058.376343 4.731329 BFGS: 2748 18:42:16 -4058.443163 4.714174 BFGS: 2749 18:42:16 -4058.509710 4.694888 BFGS: 2750 18:42:17 -4058.576196 4.673459 BFGS: 2751 18:42:18 -4058.642815 4.649877 BFGS: 2752 18:42:19 -4058.709746 4.624141 BFGS: 2753 18:42:19 -4058.777154 4.596251 BFGS: 2754 18:42:20 -4058.845182 4.566214 BFGS: 2755 18:42:21 -4058.914003 4.534039 BFGS: 2756 18:42:22 -4058.983560 4.499799 BFGS: 2757 18:42:22 -4059.054081 4.463624 BFGS: 2758 18:42:22 -4059.125639 4.425281 BFGS: 2759 18:42:23 -4059.198294 4.384907 BFGS: 2760 18:42:23 -4059.272086 4.342462 BFGS: 2761 18:42:24 -4059.347040 4.298003 BFGS: 2762 18:42:24 -4059.423166 4.251536 BFGS: 2763 18:42:25 -4059.500458 4.203097 BFGS: 2764 18:42:26 -4059.578896 4.152707 BFGS: 2765 18:42:26 -4059.658444 4.100392 BFGS: 2766 18:42:27 -4059.739049 4.046178 BFGS: 2767 18:42:28 -4059.820646 3.990087 BFGS: 2768 18:42:29 -4059.903151 3.932144 BFGS: 2769 18:42:29 -4059.986559 3.870404 BFGS: 2770 18:42:30 -4060.070553 3.809163 BFGS: 2771 18:42:31 -4060.155281 3.746514 BFGS: 2772 18:42:32 -4060.239653 3.682389 BFGS: 2773 18:42:33 -4060.324334 3.615801 BFGS: 2774 18:42:33 -4060.408630 3.548307 BFGS: 2775 18:42:34 -4060.492890 3.478998 BFGS: 2776 18:42:35 -4060.576963 3.407745 BFGS: 2777 18:42:36 -4060.660520 3.334925 BFGS: 2778 18:42:37 -4060.743291 3.260207 BFGS: 2779 18:42:37 -4060.824998 3.183694 BFGS: 2780 18:42:38 -4060.905329 3.105244 BFGS: 2781 18:42:38 -4060.983960 3.024805 BFGS: 2782 18:42:39 -4061.059856 2.942985 BFGS: 2783 18:42:40 -4061.128346 2.865055 BFGS: 2784 18:42:41 -4061.190397 2.790722 BFGS: 2785 18:42:42 -4061.246879 2.719766 BFGS: 2786 18:42:43 -4061.298703 2.653996 BFGS: 2787 18:42:44 -4061.346478 2.588562 BFGS: 2788 18:42:45 -4061.390961 2.526696 BFGS: 2789 18:42:45 -4061.432939 2.467821 BFGS: 2790 18:42:46 -4061.473308 2.412529 BFGS: 2791 18:42:47 -4061.513148 2.361196 BFGS: 2792 18:42:48 -4061.553940 2.315272 BFGS: 2793 18:42:49 -4061.590305 2.285316 BFGS: 2794 18:42:50 -4061.622971 2.272911 BFGS: 2795 18:42:51 -4061.654697 2.276000 BFGS: 2796 18:42:51 -4061.686060 2.293174 BFGS: 2797 18:42:52 -4061.718222 2.323865 BFGS: 2798 18:42:54 -4061.751465 2.368106 BFGS: 2799 18:42:55 -4061.785946 2.500021 BFGS: 2800 18:42:56 -4061.821920 2.686456 BFGS: 2801 18:42:57 -4061.848725 2.823399 BFGS: 2802 18:42:58 -4061.871290 2.921852 BFGS: 2803 18:42:58 -4061.892467 2.992476 BFGS: 2804 18:42:59 -4061.913757 3.042968 BFGS: 2805 18:43:00 -4061.936001 3.078638 BFGS: 2806 18:43:01 -4061.959699 3.103221 BFGS: 2807 18:43:02 -4061.985165 3.119269 BFGS: 2808 18:43:03 -4062.012611 3.128557 BFGS: 2809 18:43:04 -4062.042194 3.132278 BFGS: 2810 18:43:05 -4062.074043 3.131227 BFGS: 2811 18:43:06 -4062.108284 3.125882 BFGS: 2812 18:43:06 -4062.145063 3.116475 BFGS: 2813 18:43:07 -4062.184574 3.102998 BFGS: 2814 18:43:08 -4062.226086 3.085607 BFGS: 2815 18:43:09 -4062.267587 3.065885 BFGS: 2816 18:43:10 -4062.309470 3.040947 BFGS: 2817 18:43:10 -4062.353189 3.013254 BFGS: 2818 18:43:11 -4062.399958 2.980761 BFGS: 2819 18:43:12 -4062.451273 2.940011 BFGS: 2820 18:43:13 -4062.509416 2.890452 BFGS: 2821 18:43:14 -4062.578365 2.828616 BFGS: 2822 18:43:15 -4062.662738 2.746915 BFGS: 2823 18:43:15 -4062.781050 2.741985 BFGS: 2824 18:43:16 -4062.970025 2.805942 BFGS: 2825 18:43:17 -4063.083618 2.729864 BFGS: 2826 18:43:17 -4063.160406 2.647308 BFGS: 2827 18:43:18 -4063.230320 2.562180 BFGS: 2828 18:43:19 -4063.297311 2.564801 BFGS: 2829 18:43:19 -4063.361912 2.559373 BFGS: 2830 18:43:20 -4063.425248 2.548031 BFGS: 2831 18:43:21 -4063.487427 2.531560 BFGS: 2832 18:43:21 -4063.548406 2.509969 BFGS: 2833 18:43:22 -4063.608067 2.483328 BFGS: 2834 18:43:23 -4063.666242 2.451292 BFGS: 2835 18:43:23 -4063.722741 2.413475 BFGS: 2836 18:43:24 -4063.777465 2.369243 BFGS: 2837 18:43:25 -4063.828994 2.318735 BFGS: 2838 18:43:25 -4063.877760 2.261387 BFGS: 2839 18:43:26 -4063.923684 2.196022 BFGS: 2840 18:43:26 -4063.966720 2.121715 BFGS: 2841 18:43:27 -4064.006884 2.036732 BFGS: 2842 18:43:28 -4064.044275 1.939128 BFGS: 2843 18:43:28 -4064.079133 1.825874 BFGS: 2844 18:43:29 -4064.111941 1.692490 BFGS: 2845 18:43:29 -4064.143653 1.531272 BFGS: 2846 18:43:30 -4064.176218 1.327393 BFGS: 2847 18:43:31 -4064.214167 1.044272 BFGS: 2848 18:43:32 -4064.265148 0.994208 BFGS: 2849 18:43:32 -4064.300828 1.071933 BFGS: 2850 18:43:33 -4064.329587 1.076008 BFGS: 2851 18:43:34 -4064.355051 1.052557 BFGS: 2852 18:43:34 -4064.377711 1.017603 BFGS: 2853 18:43:35 -4064.397654 0.978623 BFGS: 2854 18:43:35 -4064.414915 0.938987 BFGS: 2855 18:43:36 -4064.429531 0.899678 BFGS: 2856 18:43:37 -4064.441557 0.859894 BFGS: 2857 18:43:38 -4064.451075 0.816980 BFGS: 2858 18:43:38 -4064.458245 0.765017 BFGS: 2859 18:43:39 -4064.463508 0.688196 BFGS: 2860 18:43:40 -4064.467009 0.642093 BFGS: 2861 18:43:40 -4064.473373 0.541486 BFGS: 2862 18:43:41 -4064.479001 0.414388 BFGS: 2863 18:43:41 -4064.482091 0.421503 BFGS: 2864 18:43:42 -4064.483529 0.453752 BFGS: 2865 18:43:43 -4064.485059 0.459026 BFGS: 2866 18:43:43 -4064.487480 0.428176 BFGS: 2867 18:43:44 -4064.490746 0.407134 BFGS: 2868 18:43:44 -4064.494576 0.411150 BFGS: 2869 18:43:45 -4064.498995 0.421209 BFGS: 2870 18:43:46 -4064.504327 0.436680 BFGS: 2871 18:43:46 -4064.509701 0.451386 BFGS: 2872 18:43:47 -4064.513050 0.457080 BFGS: 2873 18:43:48 -4064.514285 0.454493 BFGS: 2874 18:43:48 -4064.514876 0.448769 BFGS: 2875 18:43:49 -4064.515664 0.437537 BFGS: 2876 18:43:50 -4064.516772 0.418829 BFGS: 2877 18:43:51 -4064.517941 0.398217 BFGS: 2878 18:43:52 -4064.518968 0.406353 BFGS: 2879 18:43:52 -4064.520162 0.423892 BFGS: 2880 18:43:53 -4064.522344 0.424159 BFGS: 2881 18:43:54 -4064.526826 0.396307 BFGS: 2882 18:43:54 -4064.535147 0.321680 BFGS: 2883 18:43:55 -4064.547212 0.274627 BFGS: 2884 18:43:56 -4064.559467 0.179500 BFGS: 2885 18:43:56 -4064.568256 0.129138 BFGS: 2886 18:43:57 -4064.573632 0.113976 BFGS: 2887 18:43:58 -4064.576737 0.143967 BFGS: 2888 18:43:58 -4064.578035 0.125501 BFGS: 2889 18:43:59 -4064.578388 0.103446 BFGS: 2890 18:44:00 -4064.578522 0.098703 BFGS: 2891 18:44:00 -4064.578647 0.108085 BFGS: 2892 18:44:01 -4064.578755 0.123796 BFGS: 2893 18:44:02 -4064.578829 0.139209 BFGS: 2894 18:44:02 -4064.578885 0.148041 BFGS: 2895 18:44:03 -4064.578956 0.153997 BFGS: 2896 18:44:04 -4064.579061 0.153446 BFGS: 2897 18:44:04 -4064.579208 0.145880 BFGS: 2898 18:44:05 -4064.579388 0.128296 BFGS: 2899 18:44:05 -4064.579565 0.109752 BFGS: 2900 18:44:06 -4064.579683 0.098171 BFGS: 2901 18:44:06 -4064.579733 0.097033 BFGS: 2902 18:44:07 -4064.579749 0.098230 BFGS: 2903 18:44:08 -4064.579758 0.099350 BFGS: 2904 18:44:09 -4064.579768 0.098839 BFGS: 2905 18:44:09 -4064.579778 0.096695 BFGS: 2906 18:44:10 -4064.579787 0.093312 BFGS: 2907 18:44:10 -4064.579795 0.090099 BFGS: 2908 18:44:11 -4064.579807 0.087030 BFGS: 2909 18:44:12 -4064.579826 0.083981 BFGS: 2910 18:44:12 -4064.579865 0.080783 BFGS: 2911 18:44:13 -4064.579948 0.077323 BFGS: 2912 18:44:14 -4064.580122 0.073178 BFGS: 2913 18:44:14 -4064.580457 0.067255 BFGS: 2914 18:44:15 -4064.580961 0.064326 BFGS: 2915 18:44:16 -4064.581435 0.046403 BFGS: 2916 18:44:17 -4064.581653 0.020806 BFGS: 2917 18:44:18 -4064.581698 0.009445 BFGS: 2918 18:44:19 -4064.581705 0.003810 BFGS: 2919 18:44:19 -4064.581706 0.001719 BFGS: 2920 18:44:20 -4064.581706 0.000499 BFGS: 2921 18:44:21 -4064.581706 0.000283 BFGS: 2922 18:44:22 -4064.581706 0.000177 BFGS: 2923 18:44:23 -4064.581706 0.000087 BFGS: 2924 18:44:23 -4064.581706 0.000036 BFGS: 2925 18:44:24 -4064.581706 0.000011 BFGS: 2926 18:44:25 -4064.581706 0.000002 BFGS: 2927 18:44:26 -4064.581706 0.000001 BFGS: 2928 18:44:27 -4064.581706 0.000001 BFGS: 2929 18:44:27 -4064.581706 0.000000 BFGS: 2930 18:44:28 -4064.581706 0.000000 BFGS: 2931 18:44:28 -4064.581706 0.000000 BFGS: 2932 18:44:29 -4064.581706 0.000000 Minimization converged after 2932 steps. Maximum force component: 1.0822091811334482e-08 eV/Angstrom Maximum stress component: 6.675159051136956e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[3.31251950e-32 3.88854363e-01 0.00000000e+00] [2.73382060e-32 6.11145637e-01 0.00000000e+00] [4.58379201e-32 8.88854363e-01 5.00000000e-01] [1.20659129e-31 1.11145637e-01 5.00000000e-01] [5.00000000e-01 3.88854363e-01 5.00000000e-01] [5.00000000e-01 6.11145637e-01 5.00000000e-01] [5.00000000e-01 8.88854363e-01 0.00000000e+00] [5.00000000e-01 1.11145637e-01 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.22726468e-01] [3.38792814e-32 5.64147068e-32 8.77273532e-01] [0.00000000e+00 5.00000000e-01 6.22726468e-01] [5.89283396e-32 5.00000000e-01 3.77273532e-01] [5.00000000e-01 0.00000000e+00 6.22726468e-01] [5.00000000e-01 2.99327493e-32 3.77273532e-01] [5.00000000e-01 5.00000000e-01 1.22726468e-01] [5.00000000e-01 5.00000000e-01 8.77273532e-01] [0.00000000e+00 7.66776010e-01 2.02668515e-01] [0.00000000e+00 2.33223990e-01 2.02668515e-01] [0.00000000e+00 7.66776010e-01 7.97331485e-01] [1.05129847e-35 2.33223990e-01 7.97331485e-01] [0.00000000e+00 2.66776010e-01 7.02668515e-01] [0.00000000e+00 7.33223990e-01 7.02668515e-01] [0.00000000e+00 2.66776010e-01 2.97331485e-01] [1.68438516e-35 7.33223990e-01 2.97331485e-01] [5.00000000e-01 7.66776010e-01 7.02668515e-01] [5.00000000e-01 2.33223990e-01 7.02668515e-01] [5.00000000e-01 7.66776010e-01 2.97331485e-01] [5.00000000e-01 2.33223990e-01 2.97331485e-01] [5.00000000e-01 2.66776010e-01 2.02668515e-01] [5.00000000e-01 7.33223990e-01 2.02668515e-01] [5.00000000e-01 2.66776010e-01 7.97331485e-01] [5.00000000e-01 7.33223990e-01 7.97331485e-01] [9.42431211e-01 4.44208794e-36 2.15164176e-01] [5.75687892e-02 0.00000000e+00 2.15164176e-01] [5.75687892e-02 0.00000000e+00 7.84835824e-01] [9.42431211e-01 2.61280215e-36 7.84835824e-01] [9.42431211e-01 5.00000000e-01 7.15164176e-01] [5.75687892e-02 5.00000000e-01 7.15164176e-01] [5.75687892e-02 5.00000000e-01 2.84835824e-01] [9.42431211e-01 5.00000000e-01 2.84835824e-01] [4.42431211e-01 4.83140967e-37 7.15164176e-01] [5.57568789e-01 0.00000000e+00 7.15164176e-01] [5.57568789e-01 3.79233000e-36 2.84835824e-01] [4.42431211e-01 0.00000000e+00 2.84835824e-01] [4.42431211e-01 5.00000000e-01 2.15164176e-01] [5.57568789e-01 5.00000000e-01 2.15164176e-01] [5.57568789e-01 5.00000000e-01 7.84835824e-01] [4.42431211e-01 5.00000000e-01 7.84835824e-01] [8.87592526e-01 7.68307262e-01 1.97607681e-01] [1.12407474e-01 2.31692738e-01 1.97607681e-01] [1.12407474e-01 7.68307262e-01 8.02392319e-01] [8.87592526e-01 2.31692738e-01 8.02392319e-01] [8.87592526e-01 2.68307262e-01 6.97607681e-01] [1.12407474e-01 7.31692738e-01 6.97607681e-01] [1.12407474e-01 2.68307262e-01 3.02392319e-01] [8.87592526e-01 7.31692738e-01 3.02392319e-01] [3.87592526e-01 7.68307262e-01 6.97607681e-01] [6.12407474e-01 2.31692738e-01 6.97607681e-01] [6.12407474e-01 7.68307262e-01 3.02392319e-01] [3.87592526e-01 2.31692738e-01 3.02392319e-01] [3.87592526e-01 2.68307262e-01 1.97607681e-01] [6.12407474e-01 7.31692738e-01 1.97607681e-01] [6.12407474e-01 2.68307262e-01 8.02392319e-01] [3.87592526e-01 7.31692738e-01 8.02392319e-01] [1.12407474e-01 2.31692738e-01 8.02392319e-01] [8.87592526e-01 7.68307262e-01 8.02392319e-01] [8.87592526e-01 2.31692738e-01 1.97607681e-01] [1.12407474e-01 7.68307262e-01 1.97607681e-01] [1.12407474e-01 7.31692738e-01 3.02392319e-01] [8.87592526e-01 2.68307262e-01 3.02392319e-01] [8.87592526e-01 7.31692738e-01 6.97607681e-01] [1.12407474e-01 2.68307262e-01 6.97607681e-01] [6.12407474e-01 2.31692738e-01 3.02392319e-01] [3.87592526e-01 7.68307262e-01 3.02392319e-01] [3.87592526e-01 2.31692738e-01 6.97607681e-01] [6.12407474e-01 7.68307262e-01 6.97607681e-01] [6.12407474e-01 7.31692738e-01 8.02392319e-01] [3.87592526e-01 2.68307262e-01 8.02392319e-01] [3.87592526e-01 7.31692738e-01 1.97607681e-01] [6.12407474e-01 2.68307262e-01 1.97607681e-01] [9.41439613e-01 3.11332993e-01 7.76218449e-01] [5.85603866e-02 6.88667007e-01 7.76218449e-01] [5.85603866e-02 3.11332993e-01 2.23781551e-01] [9.41439613e-01 6.88667007e-01 2.23781551e-01] [9.41439613e-01 8.11332993e-01 2.76218449e-01] [5.85603866e-02 1.88667007e-01 2.76218449e-01] [5.85603866e-02 8.11332993e-01 7.23781551e-01] [9.41439613e-01 1.88667007e-01 7.23781551e-01] [4.41439613e-01 3.11332993e-01 2.76218449e-01] [5.58560387e-01 6.88667007e-01 2.76218449e-01] [5.58560387e-01 3.11332993e-01 7.23781551e-01] [4.41439613e-01 6.88667007e-01 7.23781551e-01] [4.41439613e-01 8.11332993e-01 7.76218449e-01] [5.58560387e-01 1.88667007e-01 7.76218449e-01] [5.58560387e-01 8.11332993e-01 2.23781551e-01] [4.41439613e-01 1.88667007e-01 2.23781551e-01] [5.85603866e-02 6.88667007e-01 2.23781551e-01] [9.41439613e-01 3.11332993e-01 2.23781551e-01] [9.41439613e-01 6.88667007e-01 7.76218449e-01] [5.85603866e-02 3.11332993e-01 7.76218449e-01] [5.85603866e-02 1.88667007e-01 7.23781551e-01] [9.41439613e-01 8.11332993e-01 7.23781551e-01] [9.41439613e-01 1.88667007e-01 2.76218449e-01] [5.85603866e-02 8.11332993e-01 2.76218449e-01] [5.58560387e-01 6.88667007e-01 7.23781551e-01] [4.41439613e-01 3.11332993e-01 7.23781551e-01] [4.41439613e-01 6.88667007e-01 2.76218449e-01] [5.58560387e-01 3.11332993e-01 2.76218449e-01] [5.58560387e-01 1.88667007e-01 2.23781551e-01] [4.41439613e-01 8.11332993e-01 2.23781551e-01] [4.41439613e-01 1.88667007e-01 7.76218449e-01] [5.58560387e-01 8.11332993e-01 7.76218449e-01] [9.42654488e-01 4.53999598e-01 9.48201193e-01] [5.73455122e-02 5.46000402e-01 9.48201193e-01] [5.73455122e-02 4.53999598e-01 5.17988073e-02] [9.42654488e-01 5.46000402e-01 5.17988073e-02] [9.42654488e-01 9.53999598e-01 4.48201193e-01] [5.73455122e-02 4.60004021e-02 4.48201193e-01] [5.73455122e-02 9.53999598e-01 5.51798807e-01] [9.42654488e-01 4.60004021e-02 5.51798807e-01] [4.42654488e-01 4.53999598e-01 4.48201193e-01] [5.57345512e-01 5.46000402e-01 4.48201193e-01] [5.57345512e-01 4.53999598e-01 5.51798807e-01] [4.42654488e-01 5.46000402e-01 5.51798807e-01] [4.42654488e-01 9.53999598e-01 9.48201193e-01] [5.57345512e-01 4.60004021e-02 9.48201193e-01] [5.57345512e-01 9.53999598e-01 5.17988073e-02] [4.42654488e-01 4.60004021e-02 5.17988073e-02] [5.73455122e-02 5.46000402e-01 5.17988073e-02] [9.42654488e-01 4.53999598e-01 5.17988073e-02] [9.42654488e-01 5.46000402e-01 9.48201193e-01] [5.73455122e-02 4.53999598e-01 9.48201193e-01] [5.73455122e-02 4.60004021e-02 5.51798807e-01] [9.42654488e-01 9.53999598e-01 5.51798807e-01] [9.42654488e-01 4.60004021e-02 4.48201193e-01] [5.73455122e-02 9.53999598e-01 4.48201193e-01] [5.57345512e-01 5.46000402e-01 5.51798807e-01] [4.42654488e-01 4.53999598e-01 5.51798807e-01] [4.42654488e-01 5.46000402e-01 4.48201193e-01] [5.57345512e-01 4.53999598e-01 4.48201193e-01] [5.57345512e-01 4.60004021e-02 5.17988073e-02] [4.42654488e-01 9.53999598e-01 5.17988073e-02] [4.42654488e-01 4.60004021e-02 9.48201193e-01] [5.57345512e-01 9.53999598e-01 9.48201193e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 7.50000000e-01 2.50000000e-01] [7.50000000e-01 2.50000000e-01 2.50000000e-01] [0.00000000e+00 3.03821628e-01 9.05169589e-01] [1.33325625e-36 6.96178372e-01 9.05169589e-01] [5.12079569e-37 3.03821628e-01 9.48304109e-02] [1.27036275e-36 6.96178372e-01 9.48304109e-02] [1.87253581e-36 8.03821628e-01 4.05169589e-01] [0.00000000e+00 1.96178372e-01 4.05169589e-01] [5.19642998e-36 8.03821628e-01 5.94830411e-01] [0.00000000e+00 1.96178372e-01 5.94830411e-01] [5.00000000e-01 3.03821628e-01 4.05169589e-01] [5.00000000e-01 6.96178372e-01 4.05169589e-01] [5.00000000e-01 3.03821628e-01 5.94830411e-01] [5.00000000e-01 6.96178372e-01 5.94830411e-01] [5.00000000e-01 8.03821628e-01 9.05169589e-01] [5.00000000e-01 1.96178372e-01 9.05169589e-01] [5.00000000e-01 8.03821628e-01 9.48304109e-02] [5.00000000e-01 1.96178372e-01 9.48304109e-02] [5.58352785e-36 3.85077232e-01 6.75128203e-01] [0.00000000e+00 6.14922768e-01 6.75128203e-01] [0.00000000e+00 3.85077232e-01 3.24871797e-01] [0.00000000e+00 6.14922768e-01 3.24871797e-01] [6.36680033e-36 8.85077232e-01 1.75128203e-01] [0.00000000e+00 1.14922768e-01 1.75128203e-01] [0.00000000e+00 8.85077232e-01 8.24871797e-01] [0.00000000e+00 1.14922768e-01 8.24871797e-01] [5.00000000e-01 3.85077232e-01 1.75128203e-01] [5.00000000e-01 6.14922768e-01 1.75128203e-01] [5.00000000e-01 3.85077232e-01 8.24871797e-01] [5.00000000e-01 6.14922768e-01 8.24871797e-01] [5.00000000e-01 8.85077232e-01 6.75128203e-01] [5.00000000e-01 1.14922768e-01 6.75128203e-01] [5.00000000e-01 8.85077232e-01 3.24871797e-01] [5.00000000e-01 1.14922768e-01 3.24871797e-01] [9.03836927e-01 4.22768179e-01 8.21164598e-01] [9.61630733e-02 5.77231821e-01 8.21164598e-01] [9.61630733e-02 4.22768179e-01 1.78835402e-01] [9.03836927e-01 5.77231821e-01 1.78835402e-01] [9.03836927e-01 9.22768179e-01 3.21164598e-01] [9.61630733e-02 7.72318212e-02 3.21164598e-01] [9.61630733e-02 9.22768179e-01 6.78835402e-01] [9.03836927e-01 7.72318212e-02 6.78835402e-01] [4.03836927e-01 4.22768179e-01 3.21164598e-01] [5.96163073e-01 5.77231821e-01 3.21164598e-01] [5.96163073e-01 4.22768179e-01 6.78835402e-01] [4.03836927e-01 5.77231821e-01 6.78835402e-01] [4.03836927e-01 9.22768179e-01 8.21164598e-01] [5.96163073e-01 7.72318212e-02 8.21164598e-01] [5.96163073e-01 9.22768179e-01 1.78835402e-01] [4.03836927e-01 7.72318212e-02 1.78835402e-01] [9.61630733e-02 5.77231821e-01 1.78835402e-01] [9.03836927e-01 4.22768179e-01 1.78835402e-01] [9.03836927e-01 5.77231821e-01 8.21164598e-01] [9.61630733e-02 4.22768179e-01 8.21164598e-01] [9.61630733e-02 7.72318212e-02 6.78835402e-01] [9.03836927e-01 9.22768179e-01 6.78835402e-01] [9.03836927e-01 7.72318212e-02 3.21164598e-01] [9.61630733e-02 9.22768179e-01 3.21164598e-01] [5.96163073e-01 5.77231821e-01 6.78835402e-01] [4.03836927e-01 4.22768179e-01 6.78835402e-01] [4.03836927e-01 5.77231821e-01 3.21164598e-01] [5.96163073e-01 4.22768179e-01 3.21164598e-01] [5.96163073e-01 7.72318212e-02 1.78835402e-01] [4.03836927e-01 9.22768179e-01 1.78835402e-01] [4.03836927e-01 7.72318212e-02 8.21164598e-01] [5.96163073e-01 9.22768179e-01 8.21164598e-01]] cellpar = Cell([[11.260212394569406, 6.976665875271264e-36, 0.0], [4.5219430856574026e-36, 13.836481491726927, 0.0], [0.0, 0.0, 12.508218001686835]]) forces = [[ 1.77654827e-29 3.56156817e-10 0.00000000e+00] [-1.16396705e-46 -3.56156817e-10 0.00000000e+00] [ 1.16396705e-46 3.56156817e-10 0.00000000e+00] [-1.16396705e-46 -3.56156817e-10 0.00000000e+00] [ 1.16396705e-46 3.56156817e-10 0.00000000e+00] [-1.16396705e-46 -3.56156817e-10 0.00000000e+00] [ 8.88274134e-30 3.56156817e-10 0.00000000e+00] [-1.16396705e-46 -3.56156817e-10 0.00000000e+00] [-2.22068534e-30 -1.37590474e-66 -6.91619999e-10] [ 2.77585667e-31 1.71988092e-67 6.91619999e-10] [-1.94309967e-30 -1.20391665e-66 -6.91619999e-10] [ 0.00000000e+00 0.00000000e+00 6.91619999e-10] [-6.93964167e-31 -4.29970231e-67 -6.91619999e-10] [ 0.00000000e+00 0.00000000e+00 6.91619999e-10] [-1.11034267e-30 -6.87952370e-67 -6.91619999e-10] [ 1.73491042e-31 1.07492558e-67 6.91619999e-10] [-8.49721519e-46 -2.60002301e-09 -1.08220918e-08] [ 1.77654827e-29 2.60002301e-09 -1.08220918e-08] [-8.49721519e-46 -2.60002301e-09 1.08220918e-08] [-1.77654827e-29 2.60002301e-09 1.08220918e-08] [-8.49721519e-46 -2.60002301e-09 -1.08220918e-08] [ 3.55309654e-29 2.60002301e-09 -1.08220918e-08] [-8.49721519e-46 -2.60002301e-09 1.08220918e-08] [ 8.49721519e-46 2.60002301e-09 1.08220918e-08] [-8.49721519e-46 -2.60002301e-09 -1.08220918e-08] [ 3.55309654e-29 2.60002301e-09 -1.08220918e-08] [-8.49721519e-46 -2.60002301e-09 1.08220918e-08] [ 8.49721519e-46 2.60002301e-09 1.08220918e-08] [-8.88274134e-30 -2.60002301e-09 -1.08220918e-08] [ 1.77654827e-29 2.60002301e-09 -1.08220918e-08] [-8.49721519e-46 -2.60002301e-09 1.08220918e-08] [-1.77654827e-29 2.60002301e-09 1.08220918e-08] [-3.72512691e-09 -2.30803513e-45 1.86460899e-09] [ 3.72512691e-09 2.30803513e-45 1.86460899e-09] [ 3.72512691e-09 2.30803513e-45 -1.86460899e-09] [-3.72512691e-09 -2.30803513e-45 -1.86460899e-09] [-3.72512691e-09 -2.30803513e-45 1.86460899e-09] [ 3.72512691e-09 2.30803513e-45 1.86460899e-09] [ 3.72512691e-09 2.30803513e-45 -1.86460899e-09] [-3.72512691e-09 -2.30803513e-45 -1.86460899e-09] [-3.72512691e-09 -2.30803513e-45 1.86460899e-09] [ 3.72512691e-09 2.30803513e-45 1.86460899e-09] [ 3.72512691e-09 2.30803513e-45 -1.86460899e-09] [-3.72512691e-09 -2.30803513e-45 -1.86460899e-09] [-3.72512691e-09 -2.30803513e-45 1.86460899e-09] [ 3.72512691e-09 2.30803513e-45 1.86460899e-09] [ 3.72512691e-09 2.30803513e-45 -1.86460899e-09] [-3.72512691e-09 -2.30803513e-45 -1.86460899e-09] [ 6.00773244e-10 -1.47113588e-09 1.49543665e-10] [-6.00773244e-10 1.47113588e-09 1.49543665e-10] [-6.00773244e-10 -1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 -1.47113588e-09 1.49543665e-10] [-6.00773244e-10 1.47113588e-09 1.49543665e-10] [-6.00773244e-10 -1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 -1.47113588e-09 1.49543665e-10] [-6.00773244e-10 1.47113588e-09 1.49543665e-10] [-6.00773244e-10 -1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 -1.47113588e-09 1.49543665e-10] [-6.00773244e-10 1.47113588e-09 1.49543665e-10] [-6.00773244e-10 -1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 1.47113588e-09 -1.49543665e-10] [-6.00773244e-10 1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 -1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 1.47113588e-09 1.49543665e-10] [-6.00773244e-10 -1.47113588e-09 1.49543665e-10] [-6.00773244e-10 1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 -1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 1.47113588e-09 1.49543665e-10] [-6.00773244e-10 -1.47113588e-09 1.49543665e-10] [-6.00773244e-10 1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 -1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 1.47113588e-09 1.49543665e-10] [-6.00773244e-10 -1.47113588e-09 1.49543665e-10] [-6.00773244e-10 1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 -1.47113588e-09 -1.49543665e-10] [ 6.00773244e-10 1.47113588e-09 1.49543665e-10] [-6.00773244e-10 -1.47113588e-09 1.49543665e-10] [ 1.93208091e-10 -2.63421323e-09 2.62713942e-09] [-1.93208091e-10 2.63421323e-09 2.62713942e-09] [-1.93208091e-10 -2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 -2.63421323e-09 2.62713942e-09] [-1.93208091e-10 2.63421323e-09 2.62713942e-09] [-1.93208091e-10 -2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 -2.63421323e-09 2.62713942e-09] [-1.93208091e-10 2.63421323e-09 2.62713942e-09] [-1.93208091e-10 -2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 -2.63421323e-09 2.62713942e-09] [-1.93208091e-10 2.63421323e-09 2.62713942e-09] [-1.93208091e-10 -2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 2.63421323e-09 -2.62713942e-09] [-1.93208091e-10 2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 -2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 2.63421323e-09 2.62713942e-09] [-1.93208091e-10 -2.63421323e-09 2.62713942e-09] [-1.93208091e-10 2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 -2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 2.63421323e-09 2.62713942e-09] [-1.93208091e-10 -2.63421323e-09 2.62713942e-09] [-1.93208091e-10 2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 -2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 2.63421323e-09 2.62713942e-09] [-1.93208091e-10 -2.63421323e-09 2.62713942e-09] [-1.93208091e-10 2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 -2.63421323e-09 -2.62713942e-09] [ 1.93208091e-10 2.63421323e-09 2.62713942e-09] [-1.93208091e-10 -2.63421323e-09 2.62713942e-09] [-8.08946619e-10 1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 -1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 1.16953895e-09 1.66202226e-10] [-8.08946619e-10 -1.16953895e-09 1.66202226e-10] [-8.08946619e-10 1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 -1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 1.16953895e-09 1.66202226e-10] [-8.08946619e-10 -1.16953895e-09 1.66202226e-10] [-8.08946619e-10 1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 -1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 1.16953895e-09 1.66202226e-10] [-8.08946619e-10 -1.16953895e-09 1.66202226e-10] [-8.08946619e-10 1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 -1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 1.16953895e-09 1.66202226e-10] [-8.08946619e-10 -1.16953895e-09 1.66202226e-10] [ 8.08946619e-10 -1.16953895e-09 1.66202226e-10] [-8.08946619e-10 1.16953895e-09 1.66202226e-10] [-8.08946619e-10 -1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 -1.16953895e-09 1.66202226e-10] [-8.08946619e-10 1.16953895e-09 1.66202226e-10] [-8.08946619e-10 -1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 -1.16953895e-09 1.66202226e-10] [-8.08946619e-10 1.16953895e-09 1.66202226e-10] [-8.08946619e-10 -1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 -1.16953895e-09 1.66202226e-10] [-8.08946619e-10 1.16953895e-09 1.66202226e-10] [-8.08946619e-10 -1.16953895e-09 -1.66202226e-10] [ 8.08946619e-10 1.16953895e-09 -1.66202226e-10] [ 1.85649294e-27 -1.70547802e-31 -9.86724418e-30] [ 8.52743169e-28 -8.52739009e-31 -3.70021657e-30] [ 1.70548634e-27 1.36438241e-30 -1.46466906e-30] [ 2.93130464e-27 8.52739009e-31 1.23340552e-30] [-1.42123861e-27 1.36438241e-30 -1.19486160e-30] [-4.96545241e-27 2.04657362e-30 2.46681104e-30] [-1.76877587e-27 2.04657362e-30 0.00000000e+00] [-2.84247723e-27 2.04657362e-30 -1.23340552e-30] [-2.22068534e-30 -1.84210780e-09 9.88206099e-10] [ 6.02024916e-46 1.84210780e-09 9.88206099e-10] [-6.02024916e-46 -1.84210780e-09 -9.88206099e-10] [ 6.02024916e-46 1.84210780e-09 -9.88206099e-10] [-6.02024916e-46 -1.84210780e-09 9.88206099e-10] [ 6.02024916e-46 1.84210780e-09 9.88206099e-10] [-2.22068534e-30 -1.84210780e-09 -9.88206099e-10] [ 6.02024916e-46 1.84210780e-09 -9.88206099e-10] [-6.02024916e-46 -1.84210780e-09 9.88206099e-10] [ 6.02024916e-46 1.84210780e-09 9.88206099e-10] [-6.02024916e-46 -1.84210780e-09 -9.88206099e-10] [-4.44137067e-30 1.84210780e-09 -9.88206099e-10] [-6.02024916e-46 -1.84210780e-09 9.88206099e-10] [ 6.02024916e-46 1.84210780e-09 9.88206099e-10] [-6.02024916e-46 -1.84210780e-09 -9.88206099e-10] [-4.44137067e-30 1.84210780e-09 -9.88206099e-10] [-1.07807349e-45 -3.29874648e-09 -3.14263142e-10] [-2.22068534e-30 3.29874648e-09 -3.14263142e-10] [-1.07807349e-45 -3.29874648e-09 3.14263142e-10] [ 1.07807349e-45 3.29874648e-09 3.14263142e-10] [-1.07807349e-45 -3.29874648e-09 -3.14263142e-10] [-2.22068534e-30 3.29874648e-09 -3.14263142e-10] [-4.44137067e-30 -3.29874648e-09 3.14263142e-10] [ 1.07807349e-45 3.29874648e-09 3.14263142e-10] [-1.07807349e-45 -3.29874648e-09 -3.14263142e-10] [-4.44137067e-30 3.29874648e-09 -3.14263142e-10] [-4.44137067e-30 -3.29874648e-09 3.14263142e-10] [ 1.07807349e-45 3.29874648e-09 3.14263142e-10] [-1.07807349e-45 -3.29874648e-09 -3.14263142e-10] [-4.44137067e-30 3.29874648e-09 -3.14263142e-10] [-2.22068534e-30 -3.29874648e-09 3.14263142e-10] [ 1.07807349e-45 3.29874648e-09 3.14263142e-10] [-1.52446654e-09 1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 -1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 -1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 -1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 -1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 -1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 -1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 -1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 -1.25690776e-09 -9.42265165e-10] [ 1.52446654e-09 -1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 -1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 -1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 -1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 -1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 -1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 -1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 1.25690776e-09 -9.42265165e-10] [-1.52446654e-09 -1.25690776e-09 9.42265165e-10] [ 1.52446654e-09 1.25690776e-09 9.42265165e-10]] stress = [ 1.21763321e-11 6.67515905e-11 -1.54339373e-11 0.00000000e+00 0.00000000e+00 -1.26580904e-33] energy per atom = -18.81750789981842 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0