element(s): ['O', 'Si'] AFLOW prototype label: A2B_mC72_12_gh2i4j_3j Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y1', 'y2', 'x3', 'z3', 'x4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', '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: ['14.178', '0.97388912', '0.53089293', '77.5653', '0.85547657', '0.75914073', '0.90156947', '0.88940569', '0.73338116', '0.38911088', '0.81119318', '0.87188646', '0.13432788', '0.37403541', '0.31896317', '0.79550105', '0.67100394', '0.82070635', '0.41129064', '0.84664328', '0.86136549', '0.46695906', '0.39701308', '0.38718031', '0.95531743', '0.76595522', '0.88793193', '0.34995355', '0.38750062', '0.28026395', '0.5883036'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0.85547657 0. ] [0. 0.75914073 0.5 ] [0.09843053 0. 0.11059431] [0.26661884 0. 0.61088912] [0.18880682 0.87188646 0.86567212] [0.62596459 0.31896317 0.20449895] [0.32899606 0.82070635 0.58870936] [0.15335672 0.86136549 0.53304094] [0.60298692 0.38718031 0.04468257] [0.23404478 0.88793193 0.65004645] [0.61249938 0.28026395 0.4116964 ]] spacegroup = 12 cell = [[14.178, 0, 0], [0, 13.8078, 0], [1.6207647411772, 0, 7.3504320045666]] ========================================= Step Time Energy fmax BFGS: 0 09:58:52 -292.928070 22.319315 BFGS: 1 09:58:53 -326.119958 19.397992 BFGS: 2 09:58:53 -358.751949 17.699701 BFGS: 3 09:58:54 -383.503961 14.737819 BFGS: 4 09:58:54 -406.286929 13.990858 BFGS: 5 09:58:54 -424.345363 14.461797 BFGS: 6 09:58:54 -438.824427 10.992063 BFGS: 7 09:58:54 -450.474810 8.091957 BFGS: 8 09:58:54 -460.836036 6.908765 BFGS: 9 09:58:54 -468.490462 5.098540 BFGS: 10 09:58:55 -473.324684 5.089727 BFGS: 11 09:58:55 -476.925299 3.610660 BFGS: 12 09:58:55 -479.114692 3.772120 BFGS: 13 09:58:56 -480.875727 4.336163 BFGS: 14 09:58:57 -482.740065 4.787472 BFGS: 15 09:58:58 -484.686352 5.103817 BFGS: 16 09:58:59 -486.638495 5.532923 BFGS: 17 09:59:00 -488.539608 5.908426 BFGS: 18 09:59:01 -490.428124 6.247173 BFGS: 19 09:59:02 -492.340120 7.580160 BFGS: 20 09:59:03 -494.285860 9.649496 BFGS: 21 09:59:04 -496.257965 12.049545 BFGS: 22 09:59:04 -498.244726 14.856390 BFGS: 23 09:59:05 -500.233201 18.016653 BFGS: 24 09:59:05 -502.215325 21.226053 BFGS: 25 09:59:06 -504.201971 23.943288 BFGS: 26 09:59:06 -506.277571 25.470935 BFGS: 27 09:59:07 -508.503803 25.884213 BFGS: 28 09:59:08 -510.861993 25.620178 BFGS: 29 09:59:08 -513.268537 25.385667 BFGS: 30 09:59:09 -515.732468 24.804447 BFGS: 31 09:59:09 -518.189249 24.457789 BFGS: 32 09:59:10 -520.678911 23.932950 BFGS: 33 09:59:10 -523.187661 23.339702 BFGS: 34 09:59:11 -525.703029 22.678725 BFGS: 35 09:59:12 -528.229094 21.860860 BFGS: 36 09:59:12 -530.729806 20.999125 BFGS: 37 09:59:13 -533.211249 19.965522 BFGS: 38 09:59:13 -535.631404 18.989476 BFGS: 39 09:59:14 -538.018780 17.859680 BFGS: 40 09:59:15 -540.332906 16.896632 BFGS: 41 09:59:16 -542.627412 15.758272 BFGS: 42 09:59:17 -544.848861 14.887912 BFGS: 43 09:59:18 -547.079258 13.779644 BFGS: 44 09:59:19 -549.237562 13.000413 BFGS: 45 09:59:20 -551.420755 11.980037 BFGS: 46 09:59:20 -553.544790 11.230698 BFGS: 47 09:59:21 -555.684183 10.352328 BFGS: 48 09:59:22 -557.789696 9.626516 BFGS: 49 09:59:22 -559.899354 8.892301 BFGS: 50 09:59:23 -561.995954 8.255545 BFGS: 51 09:59:24 -564.093605 7.696503 BFGS: 52 09:59:24 -566.191311 7.261672 BFGS: 53 09:59:25 -568.347592 6.395930 BFGS: 54 09:59:26 -570.466820 5.937613 BFGS: 55 09:59:27 -572.549985 6.072187 BFGS: 56 09:59:27 -574.630245 6.244989 BFGS: 57 09:59:28 -576.732453 6.446602 BFGS: 58 09:59:29 -578.927622 6.593670 BFGS: 59 09:59:30 -581.343773 6.739347 BFGS: 60 09:59:30 -584.143781 6.707936 BFGS: 61 09:59:31 -587.281647 6.775240 BFGS: 62 09:59:31 -590.393471 7.212165 BFGS: 63 09:59:32 -593.635379 7.684999 BFGS: 64 09:59:33 -596.790175 8.128036 BFGS: 65 09:59:34 -599.800436 8.309102 BFGS: 66 09:59:34 -602.526195 7.995649 BFGS: 67 09:59:35 -605.439142 7.243080 BFGS: 68 09:59:35 -608.292188 6.994445 BFGS: 69 09:59:36 -610.549269 6.997326 BFGS: 70 09:59:37 -612.669162 7.116847 BFGS: 71 09:59:37 -614.723731 7.233502 BFGS: 72 09:59:38 -616.782341 7.411886 BFGS: 73 09:59:38 -618.840637 7.579170 BFGS: 74 09:59:40 -620.957837 7.669654 BFGS: 75 09:59:42 -623.171896 7.753743 BFGS: 76 09:59:43 -625.523499 7.807315 BFGS: 77 09:59:44 -628.057056 7.858182 BFGS: 78 09:59:45 -630.814556 7.918450 BFGS: 79 09:59:47 -633.811267 8.058390 BFGS: 80 09:59:48 -636.972910 8.439544 BFGS: 81 09:59:49 -640.141998 9.438964 BFGS: 82 09:59:49 -643.285285 9.649027 BFGS: 83 09:59:51 -646.326744 9.019178 BFGS: 84 09:59:52 -649.811806 10.226440 BFGS: 85 09:59:52 -653.338125 10.711468 BFGS: 86 09:59:53 -657.177069 11.523159 BFGS: 87 09:59:54 -661.251646 12.222201 BFGS: 88 09:59:55 -665.656892 13.016893 BFGS: 89 09:59:56 -670.365171 13.721076 BFGS: 90 09:59:57 -675.431831 14.410733 BFGS: 91 10:00:00 -680.817387 14.944291 BFGS: 92 10:00:04 -686.531765 15.328481 BFGS: 93 10:00:08 -691.073897 15.367270 BFGS: 94 10:00:10 -696.291417 15.441044 BFGS: 95 10:00:13 -701.569932 15.789519 BFGS: 96 10:00:14 -706.768369 16.134239 BFGS: 97 10:00:15 -711.855099 16.600483 BFGS: 98 10:00:18 -716.653515 17.151715 BFGS: 99 10:00:19 -720.996605 17.675385 BFGS: 100 10:00:20 -724.660507 18.042163 BFGS: 101 10:00:22 -727.659878 18.055585 BFGS: 102 10:00:26 -730.040702 17.984906 BFGS: 103 10:00:29 -732.144398 17.639049 BFGS: 104 10:00:29 -733.969016 17.471806 BFGS: 105 10:00:30 -735.667193 17.214687 BFGS: 106 10:00:31 -737.255160 17.022474 BFGS: 107 10:00:32 -738.799369 16.844767 BFGS: 108 10:00:33 -740.294240 16.656860 BFGS: 109 10:00:34 -741.777069 16.492413 BFGS: 110 10:00:37 -743.244916 16.325166 BFGS: 111 10:00:39 -744.713345 16.164353 BFGS: 112 10:00:45 -746.187350 16.003804 BFGS: 113 10:00:52 -747.668630 15.839628 BFGS: 114 10:00:57 -749.172583 15.684653 BFGS: 115 10:01:00 -750.722226 15.525018 BFGS: 116 10:01:06 -752.347296 15.370553 BFGS: 117 10:01:09 -754.085360 15.215396 BFGS: 118 10:01:11 -755.985355 15.062414 BFGS: 119 10:01:14 -758.105888 14.911052 BFGS: 120 10:01:17 -760.510049 14.765469 BFGS: 121 10:01:19 -763.255437 14.624870 BFGS: 122 10:01:28 -766.386943 14.491329 BFGS: 123 10:01:32 -769.944262 14.371760 BFGS: 124 10:01:38 -773.973125 14.244077 BFGS: 125 10:01:42 -778.514367 14.130715 BFGS: 126 10:01:44 -783.633820 14.008233 BFGS: 127 10:01:47 -789.204020 13.895137 BFGS: 128 10:01:51 -794.963429 13.758319 BFGS: 129 10:01:54 -801.110505 13.643888 BFGS: 130 10:01:56 -807.061506 13.486717 BFGS: 131 10:02:00 -811.792926 13.332927 BFGS: 132 10:02:05 -814.547232 13.109315 BFGS: 133 10:02:08 -816.476791 12.927131 BFGS: 134 10:02:11 -818.110571 12.705387 BFGS: 135 10:02:13 -819.531432 12.585050 BFGS: 136 10:02:18 -820.873433 12.386999 BFGS: 137 10:02:21 -822.117251 12.319019 BFGS: 138 10:02:24 -823.326469 12.160515 BFGS: 139 10:02:27 -824.491462 12.078815 BFGS: 140 10:02:28 -825.626867 11.982014 BFGS: 141 10:02:31 -826.740507 11.904180 BFGS: 142 10:02:34 -827.836836 11.830240 BFGS: 143 10:02:39 -828.922256 11.765575 BFGS: 144 10:02:43 -829.999241 11.703232 BFGS: 145 10:02:46 -831.071844 11.649719 BFGS: 146 10:02:48 -832.142015 11.595520 BFGS: 147 10:02:53 -833.212315 11.555806 BFGS: 148 10:02:56 -834.283668 11.504699 BFGS: 149 10:03:01 -835.359385 11.469071 BFGS: 150 10:03:04 -836.439296 11.421063 BFGS: 151 10:03:06 -837.526064 11.388790 BFGS: 152 10:03:11 -838.618540 11.347136 BFGS: 153 10:03:14 -839.713402 11.307179 BFGS: 154 10:03:18 -840.814506 11.266270 BFGS: 155 10:03:19 -841.925457 11.227154 BFGS: 156 10:03:21 -843.050699 11.187046 BFGS: 157 10:03:24 -844.196653 11.146249 BFGS: 158 10:03:28 -845.367919 11.108402 BFGS: 159 10:03:32 -846.573650 11.069417 BFGS: 160 10:03:38 -847.828600 11.033018 BFGS: 161 10:03:40 -849.147826 10.995293 BFGS: 162 10:03:42 -850.558585 10.959588 BFGS: 163 10:03:43 -852.096693 10.920953 BFGS: 164 10:03:44 -853.814408 10.881630 BFGS: 165 10:03:45 -855.771900 10.832564 BFGS: 166 10:03:50 -858.007110 10.777791 BFGS: 167 10:03:54 -860.458612 10.736805 BFGS: 168 10:03:57 -862.710383 10.711894 BFGS: 169 10:03:57 -864.385422 10.601694 BFGS: 170 10:03:59 -865.820299 10.432216 BFGS: 171 10:04:01 -867.179686 10.239142 BFGS: 172 10:04:02 -868.524405 10.056771 BFGS: 173 10:04:08 -869.881546 9.890068 BFGS: 174 10:04:10 -871.266366 9.749849 BFGS: 175 10:04:12 -872.689035 9.633412 BFGS: 176 10:04:17 -874.157272 9.552780 BFGS: 177 10:04:19 -875.678486 9.505049 BFGS: 178 10:04:20 -877.259980 9.510414 BFGS: 179 10:04:20 -878.903665 9.548968 BFGS: 180 10:04:23 -880.606010 9.652949 BFGS: 181 10:04:26 -882.320715 9.782248 BFGS: 182 10:04:26 -884.058474 9.985714 BFGS: 183 10:04:27 -885.827353 10.150613 BFGS: 184 10:04:28 -887.678555 10.613222 BFGS: 185 10:04:29 -889.516355 11.537600 BFGS: 186 10:04:29 -891.531305 11.786917 BFGS: 187 10:04:31 -893.601540 12.292258 BFGS: 188 10:04:32 -895.852228 12.485544 BFGS: 189 10:04:34 -898.151769 13.498137 BFGS: 190 10:04:35 -900.337293 15.069739 BFGS: 191 10:04:37 -903.362317 13.192314 BFGS: 192 10:04:38 -905.963806 12.900610 BFGS: 193 10:04:39 -908.543721 12.841775 BFGS: 194 10:04:40 -911.044220 12.577387 BFGS: 195 10:04:40 -913.470492 12.060442 BFGS: 196 10:04:41 -915.854079 12.206162 BFGS: 197 10:04:42 -918.253366 12.984868 BFGS: 198 10:04:44 -920.737249 13.728630 BFGS: 199 10:04:46 -923.327689 14.448561 BFGS: 200 10:04:47 -926.057214 15.142052 BFGS: 201 10:04:50 -928.899552 15.805774 BFGS: 202 10:04:53 -931.848935 16.452421 BFGS: 203 10:04:54 -934.814221 17.081821 BFGS: 204 10:04:55 -937.785417 17.311231 BFGS: 205 10:04:56 -940.766901 17.473205 BFGS: 206 10:04:57 -943.741976 17.595894 BFGS: 207 10:04:58 -946.734410 17.706155 BFGS: 208 10:04:58 -949.690595 17.786658 BFGS: 209 10:04:59 -952.572316 17.916188 BFGS: 210 10:05:00 -955.068286 17.954691 BFGS: 211 10:05:01 -957.635061 18.883196 BFGS: 212 10:05:02 -960.402577 21.215600 BFGS: 213 10:05:03 -963.366434 21.429642 BFGS: 214 10:05:04 -966.488765 22.522466 BFGS: 215 10:05:05 -969.876048 21.551587 BFGS: 216 10:05:06 -973.281890 22.756549 BFGS: 217 10:05:07 -976.669235 24.305278 BFGS: 218 10:05:08 -980.029514 26.120646 BFGS: 219 10:05:08 -983.253084 29.214805 BFGS: 220 10:05:09 -986.976119 26.224900 BFGS: 221 10:05:10 -990.807779 24.750208 BFGS: 222 10:05:11 -994.723187 24.100188 BFGS: 223 10:05:12 -998.631225 25.733716 BFGS: 224 10:05:15 -1002.590901 27.377230 BFGS: 225 10:05:16 -1006.585066 29.010412 BFGS: 226 10:05:17 -1010.729572 30.656998 BFGS: 227 10:05:18 -1014.970149 32.245870 BFGS: 228 10:05:19 -1019.539085 33.906597 BFGS: 229 10:05:20 -1024.185979 35.391291 BFGS: 230 10:05:21 -1029.383682 37.010272 BFGS: 231 10:05:21 -1034.276208 38.149736 BFGS: 232 10:05:22 -1039.729920 39.049935 BFGS: 233 10:05:22 -1044.310354 39.819595 BFGS: 234 10:05:23 -1049.110048 38.915539 BFGS: 235 10:05:23 -1053.903992 39.607348 BFGS: 236 10:05:24 -1058.641011 39.026417 BFGS: 237 10:05:25 -1063.943149 39.166346 BFGS: 238 10:05:25 -1069.236473 38.932615 BFGS: 239 10:05:25 -1074.323750 38.824673 BFGS: 240 10:05:26 -1079.094936 38.506691 BFGS: 241 10:05:27 -1083.577285 38.094320 BFGS: 242 10:05:28 -1087.780588 37.468042 BFGS: 243 10:05:30 -1091.759848 36.706514 BFGS: 244 10:05:34 -1095.603147 35.801604 BFGS: 245 10:05:35 -1099.340146 34.782025 BFGS: 246 10:05:37 -1103.109733 33.745157 BFGS: 247 10:05:38 -1106.724804 32.584494 BFGS: 248 10:05:39 -1110.491720 31.401147 BFGS: 249 10:05:41 -1114.074503 30.025357 BFGS: 250 10:05:42 -1117.780808 28.499065 BFGS: 251 10:05:42 -1121.481367 26.576747 BFGS: 252 10:05:44 -1125.355850 24.446326 BFGS: 253 10:05:45 -1129.424197 22.342860 BFGS: 254 10:05:47 -1133.762326 22.147383 BFGS: 255 10:05:48 -1137.758858 22.537237 BFGS: 256 10:05:49 -1142.347193 20.678971 BFGS: 257 10:05:50 -1146.906143 19.694196 BFGS: 258 10:05:51 -1152.083969 19.490412 BFGS: 259 10:05:53 -1157.986352 22.217435 BFGS: 260 10:05:56 -1162.893734 25.296518 BFGS: 261 10:05:57 -1166.936218 27.722859 BFGS: 262 10:05:57 -1170.480511 29.920540 BFGS: 263 10:05:58 -1173.590671 31.285242 BFGS: 264 10:05:59 -1176.508819 32.055421 BFGS: 265 10:06:00 -1179.271336 32.968969 BFGS: 266 10:06:02 -1181.981081 33.963192 BFGS: 267 10:06:04 -1184.641172 34.801548 BFGS: 268 10:06:06 -1187.295922 35.139964 BFGS: 269 10:06:06 -1189.922448 35.305559 BFGS: 270 10:06:08 -1192.517607 35.089982 BFGS: 271 10:06:08 -1195.018882 34.681423 BFGS: 272 10:06:09 -1197.377683 33.919628 BFGS: 273 10:06:11 -1199.516671 32.952071 BFGS: 274 10:06:13 -1201.428120 31.656426 BFGS: 275 10:06:14 -1203.078243 30.282418 BFGS: 276 10:06:15 -1204.512141 28.781201 BFGS: 277 10:06:16 -1205.760899 27.427057 BFGS: 278 10:06:17 -1206.869800 26.105501 BFGS: 279 10:06:18 -1207.883015 24.986239 BFGS: 280 10:06:19 -1208.817069 23.924863 BFGS: 281 10:06:20 -1209.697777 23.026082 BFGS: 282 10:06:21 -1210.534516 22.193089 BFGS: 283 10:06:23 -1211.341330 21.466498 BFGS: 284 10:06:23 -1212.124868 20.794687 BFGS: 285 10:06:24 -1212.891423 20.195115 BFGS: 286 10:06:24 -1213.645672 19.632140 BFGS: 287 10:06:25 -1214.390092 19.122040 BFGS: 288 10:06:26 -1215.127742 18.635534 BFGS: 289 10:06:26 -1215.859206 18.190092 BFGS: 290 10:06:28 -1216.586451 17.757901 BFGS: 291 10:06:29 -1217.308664 17.360296 BFGS: 292 10:06:29 -1218.027124 16.967446 BFGS: 293 10:06:30 -1218.739942 16.606029 BFGS: 294 10:06:30 -1219.448009 16.241273 BFGS: 295 10:06:31 -1220.148486 15.908294 BFGS: 296 10:06:31 -1220.842260 15.562865 BFGS: 297 10:06:32 -1221.525654 15.251517 BFGS: 298 10:06:33 -1222.199947 14.919264 BFGS: 299 10:06:34 -1222.860889 14.625254 BFGS: 300 10:06:34 -1223.510463 14.300800 BFGS: 301 10:06:35 -1224.144116 14.020906 BFGS: 302 10:06:36 -1224.764760 13.699222 BFGS: 303 10:06:36 -1225.367886 13.431341 BFGS: 304 10:06:37 -1225.957526 13.112131 BFGS: 305 10:06:38 -1226.529004 12.853050 BFGS: 306 10:06:40 -1227.087190 12.535374 BFGS: 307 10:06:40 -1227.627833 12.282415 BFGS: 308 10:06:41 -1228.155725 11.966101 BFGS: 309 10:06:42 -1228.666666 11.713519 BFGS: 310 10:06:42 -1229.165487 11.401601 BFGS: 311 10:06:44 -1229.648756 11.145650 BFGS: 312 10:06:44 -1230.120082 10.841145 BFGS: 313 10:06:45 -1230.577179 10.579222 BFGS: 314 10:06:46 -1231.022921 10.276867 BFGS: 315 10:06:47 -1231.455319 10.009823 BFGS: 316 10:06:48 -1231.876588 9.710539 BFGS: 317 10:06:48 -1232.285242 9.438459 BFGS: 318 10:06:49 -1232.682949 9.141033 BFGS: 319 10:06:49 -1233.068727 8.864485 BFGS: 320 10:06:50 -1233.443682 8.566495 BFGS: 321 10:06:50 -1233.807222 8.288424 BFGS: 322 10:06:52 -1234.160509 7.991247 BFGS: 323 10:06:53 -1234.502948 7.709709 BFGS: 324 10:06:54 -1234.835738 7.411535 BFGS: 325 10:06:57 -1235.158400 7.126906 BFGS: 326 10:06:58 -1235.471968 7.334991 BFGS: 327 10:06:59 -1235.776714 7.587140 BFGS: 328 10:06:59 -1236.073274 7.816842 BFGS: 329 10:07:01 -1236.362166 8.042168 BFGS: 330 10:07:03 -1236.644070 8.244001 BFGS: 331 10:07:03 -1236.919664 8.437672 BFGS: 332 10:07:04 -1237.189495 8.606667 BFGS: 333 10:07:05 -1237.454584 8.762992 BFGS: 334 10:07:06 -1237.715627 8.894934 BFGS: 335 10:07:08 -1237.973516 9.008293 BFGS: 336 10:07:08 -1238.229217 9.094912 BFGS: 337 10:07:09 -1238.483185 9.158456 BFGS: 338 10:07:11 -1238.736598 9.193271 BFGS: 339 10:07:11 -1238.990431 9.200196 BFGS: 340 10:07:12 -1239.245473 9.172868 BFGS: 341 10:07:13 -1239.502813 9.112905 BFGS: 342 10:07:14 -1239.763261 9.013005 BFGS: 343 10:07:16 -1240.027985 8.875403 BFGS: 344 10:07:16 -1240.297798 8.690753 BFGS: 345 10:07:16 -1240.573925 8.463163 BFGS: 346 10:07:18 -1240.857162 8.179678 BFGS: 347 10:07:21 -1241.148403 7.847575 BFGS: 348 10:07:22 -1241.448553 7.449506 BFGS: 349 10:07:22 -1241.758655 6.998084 BFGS: 350 10:07:23 -1242.078959 6.465376 BFGS: 351 10:07:24 -1242.410179 5.872891 BFGS: 352 10:07:25 -1242.752034 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-1592.562411 22.101211 BFGS: 1850 10:29:55 -1593.210502 21.636782 BFGS: 1851 10:29:56 -1593.860390 21.104854 BFGS: 1852 10:29:57 -1594.533844 20.700731 BFGS: 1853 10:29:59 -1595.235930 20.228084 BFGS: 1854 10:30:00 -1595.985002 19.879457 BFGS: 1855 10:30:01 -1596.796079 19.461806 BFGS: 1856 10:30:01 -1597.684809 19.176300 BFGS: 1857 10:30:02 -1598.504079 18.876331 BFGS: 1858 10:30:03 -1599.203659 18.736573 BFGS: 1859 10:30:04 -1599.881165 18.556964 BFGS: 1860 10:30:04 -1600.466148 18.470428 BFGS: 1861 10:30:05 -1601.056000 18.317802 BFGS: 1862 10:30:05 -1601.556537 18.241893 BFGS: 1863 10:30:06 -1602.066527 18.090764 BFGS: 1864 10:30:06 -1602.502437 17.973299 BFGS: 1865 10:30:07 -1602.942840 17.794896 BFGS: 1866 10:30:08 -1603.335289 17.616883 BFGS: 1867 10:30:08 -1603.729313 17.389773 BFGS: 1868 10:30:09 -1604.095602 17.143059 BFGS: 1869 10:30:10 -1604.466233 16.853000 BFGS: 1870 10:30:11 -1604.822665 16.535768 BFGS: 1871 10:30:12 -1605.188555 16.175843 BFGS: 1872 10:30:13 -1605.548076 15.785937 BFGS: 1873 10:30:16 -1605.923363 15.352109 BFGS: 1874 10:30:17 -1606.298960 14.890381 BFGS: 1875 10:30:18 -1606.680740 14.407733 BFGS: 1876 10:30:21 -1607.063249 13.908609 BFGS: 1877 10:30:25 -1607.447101 13.406033 BFGS: 1878 10:30:28 -1607.844590 13.046438 BFGS: 1879 10:30:29 -1608.251627 12.906191 BFGS: 1880 10:30:30 -1608.678975 12.750134 BFGS: 1881 10:30:31 -1609.117854 12.547224 BFGS: 1882 10:30:32 -1609.573166 12.336643 BFGS: 1883 10:30:33 -1610.031246 12.090747 BFGS: 1884 10:30:33 -1610.490953 11.844186 BFGS: 1885 10:30:33 -1610.932084 11.571943 BFGS: 1886 10:30:34 -1611.355637 11.322742 BFGS: 1887 10:30:35 -1611.750145 11.043854 BFGS: 1888 10:30:37 -1612.127627 10.797628 BFGS: 1889 10:30:42 -1612.484246 10.516166 BFGS: 1890 10:30:43 -1612.833106 10.291883 BFGS: 1891 10:30:45 -1613.167336 10.021422 BFGS: 1892 10:30:45 -1613.497504 9.824851 BFGS: 1893 10:30:46 -1613.815529 9.570913 BFGS: 1894 10:30:46 -1614.130604 9.394652 BFGS: 1895 10:30:46 -1614.435053 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BFGS: 1943 10:31:32 -1628.738962 10.836831 BFGS: 1944 10:31:32 -1629.156803 10.938440 BFGS: 1945 10:31:33 -1629.584903 11.040629 BFGS: 1946 10:31:34 -1630.026159 11.143813 BFGS: 1947 10:31:34 -1630.479120 11.235258 BFGS: 1948 10:31:35 -1630.947035 11.343120 BFGS: 1949 10:31:36 -1631.428186 11.426891 BFGS: 1950 10:31:36 -1631.927332 11.542524 BFGS: 1951 10:31:37 -1632.438541 11.595421 BFGS: 1952 10:31:38 -1632.947433 12.048514 BFGS: 1953 10:31:39 -1633.486563 12.193173 BFGS: 1954 10:31:39 -1634.075594 12.240535 BFGS: 1955 10:31:40 -1634.674612 12.330752 BFGS: 1956 10:31:40 -1635.302344 12.387835 BFGS: 1957 10:31:40 -1635.949364 12.458534 BFGS: 1958 10:31:41 -1636.624515 12.514962 BFGS: 1959 10:31:42 -1637.323084 12.572608 BFGS: 1960 10:31:43 -1638.051190 12.617321 BFGS: 1961 10:31:43 -1638.806301 12.663903 BFGS: 1962 10:31:45 -1639.592531 12.695128 BFGS: 1963 10:31:46 -1640.407848 12.721440 BFGS: 1964 10:31:48 -1641.255059 12.734505 BFGS: 1965 10:31:50 -1642.133653 12.747455 BFGS: 1966 10:31:50 -1643.045042 12.746009 BFGS: 1967 10:31:52 -1643.988233 12.735795 BFGS: 1968 10:31:53 -1644.963800 12.706524 BFGS: 1969 10:31:53 -1645.970427 12.760739 BFGS: 1970 10:31:53 -1647.007422 12.798801 BFGS: 1971 10:31:54 -1648.072324 12.831603 BFGS: 1972 10:31:55 -1649.164109 12.851336 BFGS: 1973 10:31:56 -1650.279192 12.861106 BFGS: 1974 10:31:56 -1651.413970 12.861112 BFGS: 1975 10:31:57 -1652.563972 12.853570 BFGS: 1976 10:31:57 -1653.721299 12.843398 BFGS: 1977 10:31:58 -1654.880418 12.829597 BFGS: 1978 10:31:59 -1656.034239 12.805519 BFGS: 1979 10:32:00 -1657.175794 12.763401 BFGS: 1980 10:32:00 -1658.303078 12.704404 BFGS: 1981 10:32:01 -1659.412169 12.615636 BFGS: 1982 10:32:02 -1660.495470 12.796698 BFGS: 1983 10:32:03 -1661.558101 13.057731 BFGS: 1984 10:32:04 -1662.593520 13.334896 BFGS: 1985 10:32:05 -1663.608005 13.587369 BFGS: 1986 10:32:05 -1664.597222 13.856675 BFGS: 1987 10:32:06 -1665.567400 14.093313 BFGS: 1988 10:32:08 -1666.517772 14.342694 BFGS: 1989 10:32:09 -1667.460341 14.571764 BFGS: 1990 10:32:11 -1668.394146 14.808322 BFGS: 1991 10:32:12 -1669.331999 15.044681 BFGS: 1992 10:32:13 -1670.279549 15.257720 BFGS: 1993 10:32:13 -1671.254128 15.524820 BFGS: 1994 10:32:14 -1672.153434 15.662720 BFGS: 1995 10:32:14 -1672.966289 15.975854 BFGS: 1996 10:32:15 -1673.749050 15.879290 BFGS: 1997 10:32:16 -1674.468303 16.413011 BFGS: 1998 10:32:17 -1675.204456 16.066479 BFGS: 1999 10:32:17 -1675.898497 16.520512 BFGS: 2000 10:32:18 -1676.608744 16.430793 BFGS: 2001 10:32:18 -1677.315642 16.603297 BFGS: 2002 10:32:19 -1678.036316 16.628275 BFGS: 2003 10:32:19 -1678.765304 16.703481 BFGS: 2004 10:32:20 -1679.507346 16.735687 BFGS: 2005 10:32:21 -1680.261947 16.778932 BFGS: 2006 10:32:21 -1681.028533 16.794739 BFGS: 2007 10:32:22 -1681.808657 16.816659 BFGS: 2008 10:32:23 -1682.600713 16.808356 BFGS: 2009 10:32:23 -1683.404943 16.809113 BFGS: 2010 10:32:24 -1684.219343 16.785105 BFGS: 2011 10:32:25 -1685.045215 16.786933 BFGS: 2012 10:32:25 -1685.880631 16.719143 BFGS: 2013 10:32:26 -1686.726312 16.732745 BFGS: 2014 10:32:27 -1687.580078 16.620899 BFGS: 2015 10:32:27 -1688.443135 16.636817 BFGS: 2016 10:32:28 -1689.312099 16.507880 BFGS: 2017 10:32:29 -1690.190692 16.501937 BFGS: 2018 10:32:29 -1691.074706 16.353619 BFGS: 2019 10:32:30 -1691.968172 16.347691 BFGS: 2020 10:32:31 -1692.865673 16.138321 BFGS: 2021 10:32:32 -1693.771948 16.158884 BFGS: 2022 10:32:33 -1694.679125 15.899741 BFGS: 2023 10:32:34 -1695.595163 15.851626 BFGS: 2024 10:32:34 -1696.513705 15.638494 BFGS: 2025 10:32:34 -1697.440155 15.488423 BFGS: 2026 10:32:35 -1698.370099 15.284679 BFGS: 2027 10:32:36 -1699.304932 15.076167 BFGS: 2028 10:32:36 -1700.244328 15.088697 BFGS: 2029 10:32:37 -1701.188379 15.392486 BFGS: 2030 10:32:38 -1702.137103 15.674657 BFGS: 2031 10:32:38 -1703.090866 15.936222 BFGS: 2032 10:32:39 -1704.049347 16.175111 BFGS: 2033 10:32:40 -1705.014218 16.392614 BFGS: 2034 10:32:40 -1705.983157 16.584626 BFGS: 2035 10:32:41 -1706.960006 16.753393 BFGS: 2036 10:32:41 -1707.944652 16.898985 BFGS: 2037 10:32:42 -1708.937426 17.020221 BFGS: 2038 10:32:43 -1709.939121 17.120896 BFGS: 2039 10:32:43 -1710.950820 17.196371 BFGS: 2040 10:32:44 -1711.973339 17.253645 BFGS: 2041 10:32:44 -1713.007156 17.289011 BFGS: 2042 10:32:45 -1714.052379 17.305438 BFGS: 2043 10:32:46 -1715.109840 17.293582 BFGS: 2044 10:32:49 -1716.182227 17.274285 BFGS: 2045 10:32:50 -1717.264969 17.216600 BFGS: 2046 10:32:50 -1718.365991 17.165505 BFGS: 2047 10:32:51 -1719.473492 17.067306 BFGS: 2048 10:32:52 -1720.603370 16.981845 BFGS: 2049 10:32:53 -1721.738192 16.851901 BFGS: 2050 10:32:54 -1722.896794 16.728845 BFGS: 2051 10:32:56 -1724.062694 16.570598 BFGS: 2052 10:32:57 -1725.251481 16.409113 BFGS: 2053 10:32:58 -1726.450136 16.222420 BFGS: 2054 10:32:59 -1727.669458 16.024718 BFGS: 2055 10:33:00 -1728.899948 15.804680 BFGS: 2056 10:33:03 -1730.139364 15.573779 BFGS: 2057 10:33:04 -1731.354571 15.332501 BFGS: 2058 10:33:06 -1732.566414 15.081166 BFGS: 2059 10:33:07 -1733.753793 14.822069 BFGS: 2060 10:33:07 -1734.940885 14.550132 BFGS: 2061 10:33:08 -1736.103708 14.273804 BFGS: 2062 10:33:08 -1737.269186 13.981573 BFGS: 2063 10:33:08 -1738.410876 13.691036 BFGS: 2064 10:33:10 -1739.555013 13.385259 BFGS: 2065 10:33:11 -1740.678774 13.075933 BFGS: 2066 10:33:12 -1741.803081 12.758523 BFGS: 2067 10:33:12 -1742.908847 12.433774 BFGS: 2068 10:33:13 -1744.012959 12.094470 BFGS: 2069 10:33:14 -1745.100371 11.755689 BFGS: 2070 10:33:15 -1746.184291 11.404741 BFGS: 2071 10:33:16 -1747.250961 11.052734 BFGS: 2072 10:33:17 -1748.314410 10.689988 BFGS: 2073 10:33:18 -1749.361702 10.433423 BFGS: 2074 10:33:18 -1750.401641 10.272816 BFGS: 2075 10:33:19 -1751.425332 10.129510 BFGS: 2076 10:33:20 -1752.437682 9.981970 BFGS: 2077 10:33:21 -1753.433664 9.845854 BFGS: 2078 10:33:22 -1754.414877 9.712907 BFGS: 2079 10:33:23 -1755.377397 9.576911 BFGS: 2080 10:33:23 -1756.321169 9.468960 BFGS: 2081 10:33:24 -1757.243955 9.342827 BFGS: 2082 10:33:25 -1758.144227 9.245349 BFGS: 2083 10:33:26 -1759.019325 9.130358 BFGS: 2084 10:33:27 -1759.867024 9.044204 BFGS: 2085 10:33:28 -1760.684600 8.947288 BFGS: 2086 10:33:29 -1761.469611 8.856975 BFGS: 2087 10:33:32 -1762.218589 8.760984 BFGS: 2088 10:33:33 -1762.928799 8.686899 BFGS: 2089 10:33:34 -1763.596112 8.587401 BFGS: 2090 10:33:36 -1764.217024 8.526673 BFGS: 2091 10:33:37 -1764.787103 8.411751 BFGS: 2092 10:33:38 -1765.301914 8.347513 BFGS: 2093 10:33:40 -1765.756461 8.223669 BFGS: 2094 10:33:42 -1766.145776 8.146731 BFGS: 2095 10:33:44 -1766.464001 7.985915 BFGS: 2096 10:33:46 -1766.705420 7.897426 BFGS: 2097 10:33:46 -1766.864427 7.590369 BFGS: 2098 10:33:47 -1766.935964 7.611508 BFGS: 2099 10:33:48 -1767.011101 7.488934 BFGS: 2100 10:33:48 -1767.122266 7.747743 BFGS: 2101 10:33:49 -1767.194731 7.951567 BFGS: 2102 10:33:50 -1767.244668 7.846390 BFGS: 2103 10:33:51 -1767.287043 7.755805 BFGS: 2104 10:33:52 -1767.335198 7.508405 BFGS: 2105 10:33:52 -1767.385668 7.213479 BFGS: 2106 10:33:53 -1767.426002 7.000914 BFGS: 2107 10:33:54 -1767.480311 6.775996 BFGS: 2108 10:33:55 -1767.553787 6.635258 BFGS: 2109 10:33:56 -1767.652801 6.429944 BFGS: 2110 10:33:58 -1767.750511 6.428860 BFGS: 2111 10:33:59 -1767.835680 6.473178 BFGS: 2112 10:34:00 -1767.912431 6.570344 BFGS: 2113 10:34:02 -1768.021681 6.670334 BFGS: 2114 10:34:03 -1768.173005 6.790063 BFGS: 2115 10:34:06 -1768.330438 6.854074 BFGS: 2116 10:34:08 -1768.498055 6.889482 BFGS: 2117 10:34:11 -1768.673630 6.901478 BFGS: 2118 10:34:12 -1768.854677 6.896175 BFGS: 2119 10:34:12 -1769.039756 6.869555 BFGS: 2120 10:34:13 -1769.230741 6.822930 BFGS: 2121 10:34:14 -1769.436509 6.746811 BFGS: 2122 10:34:15 -1769.671764 6.691429 BFGS: 2123 10:34:15 -1769.959848 6.772758 BFGS: 2124 10:34:15 -1770.318620 6.479089 BFGS: 2125 10:34:16 -1770.739151 6.361316 BFGS: 2126 10:34:17 -1771.139321 6.152815 BFGS: 2127 10:34:18 -1771.478376 6.098043 BFGS: 2128 10:34:19 -1771.702124 6.249886 BFGS: 2129 10:34:20 -1771.880584 6.389795 BFGS: 2130 10:34:20 -1772.029684 6.530160 BFGS: 2131 10:34:20 -1772.156710 6.669324 BFGS: 2132 10:34:21 -1772.264038 6.802139 BFGS: 2133 10:34:21 -1772.354639 6.918350 BFGS: 2134 10:34:22 -1772.432779 7.003798 BFGS: 2135 10:34:23 -1772.509077 7.020879 BFGS: 2136 10:34:24 -1772.580710 6.935261 BFGS: 2137 10:34:24 -1772.670000 6.704071 BFGS: 2138 10:34:25 -1772.726932 6.486646 BFGS: 2139 10:34:26 -1772.765590 6.343938 BFGS: 2140 10:34:27 -1772.795911 6.295253 BFGS: 2141 10:34:28 -1772.831062 6.336203 BFGS: 2142 10:34:29 -1772.873759 6.469709 BFGS: 2143 10:34:32 -1772.912629 6.591515 BFGS: 2144 10:34:34 -1772.953098 6.684669 BFGS: 2145 10:34:35 -1772.995556 6.752034 BFGS: 2146 10:34:36 -1773.039850 6.794711 BFGS: 2147 10:34:36 -1773.085077 6.822545 BFGS: 2148 10:34:37 -1773.130705 6.840239 BFGS: 2149 10:34:38 -1773.176461 6.852439 BFGS: 2150 10:34:39 -1773.222220 6.861487 BFGS: 2151 10:34:40 -1773.267955 6.869135 BFGS: 2152 10:34:41 -1773.313674 6.876228 BFGS: 2153 10:34:42 -1773.359410 6.883309 BFGS: 2154 10:34:43 -1773.404974 6.893755 BFGS: 2155 10:34:45 -1773.450762 6.958530 BFGS: 2156 10:34:45 -1773.496659 7.016915 BFGS: 2157 10:34:46 -1773.542677 7.070938 BFGS: 2158 10:34:47 -1773.588815 7.121021 BFGS: 2159 10:34:48 -1773.635077 7.167966 BFGS: 2160 10:34:49 -1773.681463 7.212226 BFGS: 2161 10:34:49 -1773.727853 7.257127 BFGS: 2162 10:34:50 -1773.774423 7.296863 BFGS: 2163 10:34:51 -1773.820930 7.336408 BFGS: 2164 10:34:51 -1773.867643 7.374255 BFGS: 2165 10:34:52 -1773.914359 7.412713 BFGS: 2166 10:34:52 -1773.961147 7.448417 BFGS: 2167 10:34:53 -1774.008192 7.483972 BFGS: 2168 10:34:55 -1774.055378 7.518056 BFGS: 2169 10:34:55 -1774.102693 7.550979 BFGS: 2170 10:34:56 -1774.150114 7.583330 BFGS: 2171 10:34:57 -1774.197635 7.615024 BFGS: 2172 10:34:58 -1774.245308 7.645747 BFGS: 2173 10:34:58 -1774.293042 7.677714 BFGS: 2174 10:34:59 -1774.340549 7.712724 BFGS: 2175 10:34:59 -1774.388266 7.741367 BFGS: 2176 10:35:00 -1774.436094 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-1775.596215 8.434912 BFGS: 2201 10:35:22 -1775.644748 8.461189 BFGS: 2202 10:35:22 -1775.693298 8.487501 BFGS: 2203 10:35:22 -1775.741860 8.513736 BFGS: 2204 10:35:23 -1775.790431 8.539939 BFGS: 2205 10:35:24 -1775.839009 8.566070 BFGS: 2206 10:35:24 -1775.887619 8.582528 BFGS: 2207 10:35:24 -1775.935926 8.622446 BFGS: 2208 10:35:25 -1775.984370 8.647524 BFGS: 2209 10:35:26 -1776.032885 8.674035 BFGS: 2210 10:35:26 -1776.081429 8.699764 BFGS: 2211 10:35:27 -1776.129999 8.725549 BFGS: 2212 10:35:28 -1776.178581 8.751238 BFGS: 2213 10:35:29 -1776.227174 8.776844 BFGS: 2214 10:35:30 -1776.275772 8.802391 BFGS: 2215 10:35:31 -1776.324375 8.827849 BFGS: 2216 10:35:32 -1776.372979 8.853238 BFGS: 2217 10:35:34 -1776.421584 8.878541 BFGS: 2218 10:35:35 -1776.470189 8.903768 BFGS: 2219 10:35:36 -1776.518793 8.928914 BFGS: 2220 10:35:37 -1776.567396 8.953979 BFGS: 2221 10:35:38 -1776.615996 8.978963 BFGS: 2222 10:35:39 -1776.664594 9.003866 BFGS: 2223 10:35:40 -1776.713195 9.028686 BFGS: 2224 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12:31:34 -1951.010356 1.206198 BFGS: 9739 12:31:35 -1951.010356 1.206198 BFGS: 9740 12:31:35 -1951.010356 1.206198 BFGS: 9741 12:31:35 -1951.010356 1.206198 BFGS: 9742 12:31:36 -1951.010356 1.206198 BFGS: 9743 12:31:36 -1951.010356 1.206198 BFGS: 9744 12:31:36 -1951.010356 1.206198 BFGS: 9745 12:31:37 -1951.010356 1.206198 BFGS: 9746 12:31:37 -1951.010356 1.206198 BFGS: 9747 12:31:37 -1951.010356 1.206198 BFGS: 9748 12:31:38 -1951.010356 1.206198 BFGS: 9749 12:31:38 -1951.010356 1.206198 BFGS: 9750 12:31:38 -1951.010356 1.206198 BFGS: 9751 12:31:39 -1951.010356 1.206198 BFGS: 9752 12:31:39 -1951.010356 1.206198 BFGS: 9753 12:31:39 -1951.010356 1.206198 BFGS: 9754 12:31:39 -1951.010356 1.206198 BFGS: 9755 12:31:40 -1951.010356 1.206198 BFGS: 9756 12:31:40 -1951.010356 1.206198 BFGS: 9757 12:31:40 -1951.010356 1.206198 BFGS: 9758 12:31:41 -1951.010356 1.206198 BFGS: 9759 12:31:41 -1951.010356 1.206198 BFGS: 9760 12:31:41 -1951.010356 1.206198 BFGS: 9761 12:31:42 -1951.010356 1.206198 BFGS: 9762 12:31:42 -1951.010356 1.206198 BFGS: 9763 12:31:42 -1951.010356 1.206198 BFGS: 9764 12:31:43 -1951.010356 1.206198 BFGS: 9765 12:31:43 -1951.010356 1.206198 BFGS: 9766 12:31:43 -1951.010356 1.206198 BFGS: 9767 12:31:44 -1951.010356 1.206198 BFGS: 9768 12:31:44 -1951.010356 1.206198 BFGS: 9769 12:31:45 -1951.010356 1.206198 BFGS: 9770 12:31:45 -1951.010356 1.206198 BFGS: 9771 12:31:45 -1951.010356 1.206198 BFGS: 9772 12:31:46 -1951.010356 1.206198 BFGS: 9773 12:31:46 -1951.010356 1.206198 BFGS: 9774 12:31:47 -1951.010356 1.206198 BFGS: 9775 12:31:47 -1951.010356 1.206198 BFGS: 9776 12:31:47 -1951.010356 1.206198 BFGS: 9777 12:31:48 -1951.010356 1.206198 BFGS: 9778 12:31:48 -1951.010356 1.206198 BFGS: 9779 12:31:49 -1951.010356 1.206198 BFGS: 9780 12:31:49 -1951.010356 1.206198 BFGS: 9781 12:31:50 -1951.010356 1.206198 BFGS: 9782 12:31:50 -1951.010356 1.206198 BFGS: 9783 12:31:50 -1951.010356 1.206198 BFGS: 9784 12:31:51 -1951.010356 1.206198 BFGS: 9785 12:31:51 -1951.010356 1.206198 BFGS: 9786 12:31:52 -1951.010356 1.206198 BFGS: 9787 12:31:52 -1951.010356 1.206198 BFGS: 9788 12:31:52 -1951.010356 1.206198 BFGS: 9789 12:31:53 -1951.010356 1.206198 BFGS: 9790 12:31:53 -1951.010356 1.206198 BFGS: 9791 12:31:53 -1951.010356 1.206198 BFGS: 9792 12:31:53 -1951.010356 1.206198 BFGS: 9793 12:31:54 -1951.010356 1.206198 BFGS: 9794 12:31:54 -1951.010356 1.206198 BFGS: 9795 12:31:54 -1951.010356 1.206198 BFGS: 9796 12:31:55 -1951.010356 1.206198 BFGS: 9797 12:31:55 -1951.010356 1.206198 BFGS: 9798 12:31:55 -1951.010356 1.206198 BFGS: 9799 12:31:56 -1951.010356 1.206198 BFGS: 9800 12:31:56 -1951.010356 1.206198 BFGS: 9801 12:31:57 -1951.010356 1.206198 BFGS: 9802 12:31:57 -1951.010356 1.206198 BFGS: 9803 12:31:57 -1951.010356 1.206198 BFGS: 9804 12:31:58 -1951.010356 1.206198 BFGS: 9805 12:31:58 -1951.010356 1.206198 BFGS: 9806 12:31:58 -1951.010356 1.206198 BFGS: 9807 12:31:59 -1951.010356 1.206198 BFGS: 9808 12:31:59 -1951.010356 1.206198 BFGS: 9809 12:31:59 -1951.010356 1.206198 BFGS: 9810 12:32:00 -1951.010356 1.206198 BFGS: 9811 12:32:00 -1951.010356 1.206198 BFGS: 9812 12:32:00 -1951.010356 1.206198 BFGS: 9813 12:32:00 -1951.010356 1.206198 BFGS: 9814 12:32:01 -1951.010356 1.206198 BFGS: 9815 12:32:02 -1951.010356 1.206198 BFGS: 9816 12:32:02 -1951.010356 1.206198 BFGS: 9817 12:32:03 -1951.010356 1.206198 BFGS: 9818 12:32:03 -1951.010356 1.206198 BFGS: 9819 12:32:03 -1951.010356 1.206198 BFGS: 9820 12:32:04 -1951.010356 1.206198 BFGS: 9821 12:32:04 -1951.010356 1.206198 BFGS: 9822 12:32:05 -1951.010356 1.206198 BFGS: 9823 12:32:05 -1951.010356 1.206198 BFGS: 9824 12:32:06 -1951.010356 1.206198 BFGS: 9825 12:32:07 -1951.010356 1.206198 BFGS: 9826 12:32:08 -1951.010356 1.206198 BFGS: 9827 12:32:08 -1951.010356 1.206198 BFGS: 9828 12:32:09 -1951.010356 1.206198 BFGS: 9829 12:32:10 -1951.010356 1.206198 BFGS: 9830 12:32:10 -1951.010356 1.206198 BFGS: 9831 12:32:11 -1951.010356 1.206198 BFGS: 9832 12:32:11 -1951.010356 1.206198 BFGS: 9833 12:32:12 -1951.010356 1.206198 BFGS: 9834 12:32:13 -1951.010356 1.206198 BFGS: 9835 12:32:13 -1951.010356 1.206198 BFGS: 9836 12:32:13 -1951.010356 1.206198 BFGS: 9837 12:32:14 -1951.010356 1.206198 BFGS: 9838 12:32:14 -1951.010356 1.206198 BFGS: 9839 12:32:15 -1951.010356 1.206198 BFGS: 9840 12:32:16 -1951.010356 1.206198 BFGS: 9841 12:32:16 -1951.010356 1.206198 BFGS: 9842 12:32:17 -1951.010356 1.206198 BFGS: 9843 12:32:17 -1951.010356 1.206198 BFGS: 9844 12:32:18 -1951.010356 1.206198 BFGS: 9845 12:32:18 -1951.010356 1.206198 BFGS: 9846 12:32:18 -1951.010356 1.206198 BFGS: 9847 12:32:19 -1951.010356 1.206198 BFGS: 9848 12:32:19 -1951.010356 1.206198 BFGS: 9849 12:32:20 -1951.010356 1.206198 BFGS: 9850 12:32:20 -1951.010356 1.206198 BFGS: 9851 12:32:21 -1951.010356 1.206198 BFGS: 9852 12:32:22 -1951.010356 1.206198 BFGS: 9853 12:32:22 -1951.010356 1.206198 BFGS: 9854 12:32:23 -1951.010356 1.206198 BFGS: 9855 12:32:23 -1951.010356 1.206198 BFGS: 9856 12:32:23 -1951.010356 1.206198 BFGS: 9857 12:32:24 -1951.010356 1.206198 BFGS: 9858 12:32:24 -1951.010356 1.206198 BFGS: 9859 12:32:25 -1951.010356 1.206198 BFGS: 9860 12:32:25 -1951.010356 1.206198 BFGS: 9861 12:32:26 -1951.010356 1.206198 BFGS: 9862 12:32:26 -1951.010356 1.206198 BFGS: 9863 12:32:27 -1951.010356 1.206198 BFGS: 9864 12:32:27 -1951.010356 1.206198 BFGS: 9865 12:32:28 -1951.010356 1.206198 BFGS: 9866 12:32:28 -1951.010356 1.206198 BFGS: 9867 12:32:28 -1951.010356 1.206198 BFGS: 9868 12:32:29 -1951.010356 1.206198 BFGS: 9869 12:32:29 -1951.010356 1.206198 BFGS: 9870 12:32:30 -1951.010356 1.206198 BFGS: 9871 12:32:30 -1951.010356 1.206198 BFGS: 9872 12:32:30 -1951.010356 1.206198 BFGS: 9873 12:32:30 -1951.010356 1.206198 BFGS: 9874 12:32:30 -1951.010356 1.206198 BFGS: 9875 12:32:30 -1951.010356 1.206198 BFGS: 9876 12:32:31 -1951.010356 1.206198 BFGS: 9877 12:32:31 -1951.010356 1.206198 BFGS: 9878 12:32:31 -1951.010356 1.206198 BFGS: 9879 12:32:32 -1951.010356 1.206198 BFGS: 9880 12:32:32 -1951.010356 1.206198 BFGS: 9881 12:32:32 -1951.010356 1.206198 BFGS: 9882 12:32:33 -1951.010356 1.206198 BFGS: 9883 12:32:33 -1951.010356 1.206198 BFGS: 9884 12:32:33 -1951.010356 1.206198 BFGS: 9885 12:32:34 -1951.010356 1.206198 BFGS: 9886 12:32:34 -1951.010356 1.206198 BFGS: 9887 12:32:34 -1951.010356 1.206198 BFGS: 9888 12:32:35 -1951.010356 1.206198 BFGS: 9889 12:32:35 -1951.010356 1.206198 BFGS: 9890 12:32:35 -1951.010356 1.206198 BFGS: 9891 12:32:36 -1951.010356 1.206198 BFGS: 9892 12:32:36 -1951.010356 1.206198 BFGS: 9893 12:32:36 -1951.010356 1.206198 BFGS: 9894 12:32:37 -1951.010356 1.206198 BFGS: 9895 12:32:37 -1951.010356 1.206198 BFGS: 9896 12:32:37 -1951.010356 1.206198 BFGS: 9897 12:32:37 -1951.010356 1.206198 BFGS: 9898 12:32:38 -1951.010356 1.206198 BFGS: 9899 12:32:38 -1951.010356 1.206198 BFGS: 9900 12:32:38 -1951.010356 1.206198 BFGS: 9901 12:32:38 -1951.010356 1.206198 BFGS: 9902 12:32:38 -1951.010356 1.206198 BFGS: 9903 12:32:38 -1951.010356 1.206198 BFGS: 9904 12:32:39 -1951.010356 1.206198 BFGS: 9905 12:32:39 -1951.010356 1.206198 BFGS: 9906 12:32:39 -1951.010356 1.206198 BFGS: 9907 12:32:40 -1951.010356 1.206198 BFGS: 9908 12:32:41 -1951.010356 1.206198 BFGS: 9909 12:32:42 -1951.010356 1.206198 BFGS: 9910 12:32:42 -1951.010356 1.206198 BFGS: 9911 12:32:43 -1951.010356 1.206198 BFGS: 9912 12:32:44 -1951.010356 1.206198 BFGS: 9913 12:32:44 -1951.010356 1.206198 BFGS: 9914 12:32:45 -1951.010356 1.206198 BFGS: 9915 12:32:45 -1951.010356 1.206198 BFGS: 9916 12:32:46 -1951.010356 1.206198 BFGS: 9917 12:32:46 -1951.010356 1.206198 BFGS: 9918 12:32:46 -1951.010356 1.206198 BFGS: 9919 12:32:46 -1951.010356 1.206198 BFGS: 9920 12:32:47 -1951.010356 1.206198 BFGS: 9921 12:32:47 -1951.010356 1.206198 BFGS: 9922 12:32:48 -1951.010356 1.206198 BFGS: 9923 12:32:48 -1951.010356 1.206198 BFGS: 9924 12:32:48 -1951.010356 1.206198 BFGS: 9925 12:32:49 -1951.010356 1.206198 BFGS: 9926 12:32:49 -1951.010356 1.206198 BFGS: 9927 12:32:49 -1951.010356 1.206198 BFGS: 9928 12:32:50 -1951.010356 1.206198 BFGS: 9929 12:32:50 -1951.010356 1.206198 BFGS: 9930 12:32:51 -1951.010356 1.206198 BFGS: 9931 12:32:51 -1951.010356 1.206198 BFGS: 9932 12:32:52 -1951.010356 1.206198 BFGS: 9933 12:32:52 -1951.010356 1.206198 BFGS: 9934 12:32:52 -1951.010356 1.206198 BFGS: 9935 12:32:52 -1951.010356 1.206198 BFGS: 9936 12:32:53 -1951.010356 1.206198 BFGS: 9937 12:32:53 -1951.010356 1.206198 BFGS: 9938 12:32:53 -1951.010356 1.206198 BFGS: 9939 12:32:54 -1951.010356 1.206198 BFGS: 9940 12:32:54 -1951.010356 1.206198 BFGS: 9941 12:32:55 -1951.010356 1.206198 BFGS: 9942 12:32:55 -1951.010356 1.206198 BFGS: 9943 12:32:56 -1951.010356 1.206198 BFGS: 9944 12:32:56 -1951.010356 1.206198 BFGS: 9945 12:32:57 -1951.010356 1.206198 BFGS: 9946 12:32:57 -1951.010356 1.206198 BFGS: 9947 12:32:57 -1951.010356 1.206198 BFGS: 9948 12:32:57 -1951.010356 1.206198 BFGS: 9949 12:32:58 -1951.010356 1.206198 BFGS: 9950 12:32:58 -1951.010356 1.206198 BFGS: 9951 12:32:59 -1951.010356 1.206198 BFGS: 9952 12:32:59 -1951.010356 1.206198 BFGS: 9953 12:33:00 -1951.010356 1.206198 BFGS: 9954 12:33:00 -1951.010356 1.206198 BFGS: 9955 12:33:00 -1951.010356 1.206198 BFGS: 9956 12:33:01 -1951.010356 1.206198 BFGS: 9957 12:33:01 -1951.010356 1.206198 BFGS: 9958 12:33:01 -1951.010356 1.206198 BFGS: 9959 12:33:02 -1951.010356 1.206198 BFGS: 9960 12:33:02 -1951.010356 1.206198 BFGS: 9961 12:33:03 -1951.010356 1.206198 BFGS: 9962 12:33:03 -1951.010356 1.206198 BFGS: 9963 12:33:04 -1951.010356 1.206198 BFGS: 9964 12:33:04 -1951.010356 1.206198 BFGS: 9965 12:33:05 -1951.010356 1.206198 BFGS: 9966 12:33:05 -1951.010356 1.206198 BFGS: 9967 12:33:06 -1951.010356 1.206198 BFGS: 9968 12:33:06 -1951.010356 1.206198 BFGS: 9969 12:33:07 -1951.010356 1.206198 BFGS: 9970 12:33:07 -1951.010356 1.206198 BFGS: 9971 12:33:07 -1951.010356 1.206198 BFGS: 9972 12:33:08 -1951.010356 1.206198 BFGS: 9973 12:33:08 -1951.010356 1.206198 BFGS: 9974 12:33:08 -1951.010356 1.206198 BFGS: 9975 12:33:09 -1951.010356 1.206198 BFGS: 9976 12:33:09 -1951.010356 1.206198 BFGS: 9977 12:33:09 -1951.010356 1.206198 BFGS: 9978 12:33:10 -1951.010356 1.206198 BFGS: 9979 12:33:10 -1951.010356 1.206198 BFGS: 9980 12:33:10 -1951.010356 1.206198 BFGS: 9981 12:33:11 -1951.010356 1.206198 BFGS: 9982 12:33:11 -1951.010356 1.206198 BFGS: 9983 12:33:11 -1951.010356 1.206198 BFGS: 9984 12:33:12 -1951.010356 1.206198 BFGS: 9985 12:33:12 -1951.010356 1.206198 BFGS: 9986 12:33:12 -1951.010356 1.206198 BFGS: 9987 12:33:12 -1951.010356 1.206198 BFGS: 9988 12:33:13 -1951.010356 1.206198 BFGS: 9989 12:33:13 -1951.010356 1.206198 BFGS: 9990 12:33:13 -1951.010356 1.206198 BFGS: 9991 12:33:13 -1951.010356 1.206198 BFGS: 9992 12:33:14 -1951.010356 1.206198 BFGS: 9993 12:33:14 -1951.010356 1.206198 BFGS: 9994 12:33:14 -1951.010356 1.206198 BFGS: 9995 12:33:15 -1951.010356 1.206198 BFGS: 9996 12:33:15 -1951.010356 1.206198 BFGS: 9997 12:33:15 -1951.010356 1.206198 BFGS: 9998 12:33:16 -1951.010356 1.206198 BFGS: 9999 12:33:16 -1951.010356 1.206198 BFGS: 10000 12:33:16 -1951.010356 1.206198 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 1.2404259550358783 eV/Angstrom Maximum stress component: 0.3629144887685161 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', '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 = [[0.00000000e+00 6.36618571e-01 0.00000000e+00] [5.00000000e-01 1.36618571e-01 1.00000000e+00] [0.00000000e+00 3.63381429e-01 0.00000000e+00] [5.00000000e-01 8.63381429e-01 1.00000000e+00] [1.56923465e-15 8.68154447e-01 5.00000000e-01] [5.00000000e-01 3.68154447e-01 5.00000000e-01] [1.56564910e-15 1.31845553e-01 5.00000000e-01] [5.00000000e-01 6.31845553e-01 5.00000000e-01] [9.85503615e-01 0.00000000e+00 1.74001099e-01] [1.44963849e-02 4.99045975e-32 8.25998901e-01] [4.85503615e-01 5.00000000e-01 1.74001099e-01] [5.14496385e-01 5.00000000e-01 8.25998901e-01] [1.25065722e-01 8.14232906e-32 8.65334575e-01] [8.74934278e-01 0.00000000e+00 1.34665425e-01] [6.25065722e-01 5.00000000e-01 8.65334575e-01] [3.74934278e-01 5.00000000e-01 1.34665425e-01] [4.92454831e-02 8.67016423e-01 1.64589503e-01] [9.50754517e-01 8.67016423e-01 8.35410497e-01] [5.49245483e-01 3.67016424e-01 1.64589503e-01] [4.50754517e-01 3.67016424e-01 8.35410497e-01] [9.50754517e-01 1.32983576e-01 8.35410497e-01] [4.92454831e-02 1.32983576e-01 1.64589503e-01] [4.50754517e-01 6.32983577e-01 8.35410497e-01] [5.49245483e-01 6.32983577e-01 1.64589503e-01] [5.58770962e-01 3.57984203e-01 8.92121082e-01] [4.41229038e-01 3.57984203e-01 1.07878918e-01] [5.87709620e-02 8.57984203e-01 8.92121082e-01] [9.41229038e-01 8.57984203e-01 1.07878918e-01] [4.41229038e-01 6.42015797e-01 1.07878918e-01] [5.58770962e-01 6.42015797e-01 8.92121082e-01] [9.41229038e-01 1.42015797e-01 1.07878918e-01] [5.87709620e-02 1.42015797e-01 8.92121082e-01] [6.93588446e-02 6.33301969e-01 5.93194481e-03] [9.30641155e-01 6.33301969e-01 9.94068055e-01] [5.69358845e-01 1.33301969e-01 5.93194481e-03] [4.30641155e-01 1.33301969e-01 9.94068055e-01] [9.30641155e-01 3.66698031e-01 9.94068055e-01] [6.93588446e-02 3.66698031e-01 5.93194481e-03] [4.30641155e-01 8.66698031e-01 9.94068055e-01] [5.69358845e-01 8.66698031e-01 5.93194481e-03] [9.59690913e-01 6.33040555e-01 6.80293179e-01] [4.03090866e-02 6.33040555e-01 3.19706821e-01] [4.59690913e-01 1.33040555e-01 6.80293179e-01] [5.40309087e-01 1.33040555e-01 3.19706821e-01] [4.03090866e-02 3.66959445e-01 3.19706821e-01] [9.59690913e-01 3.66959445e-01 6.80293179e-01] [5.40309087e-01 8.66959445e-01 3.19706821e-01] [4.59690913e-01 8.66959445e-01 6.80293179e-01] [5.71176986e-01 2.16201254e-01 5.55968220e-01] [4.28823014e-01 2.16201254e-01 4.44031780e-01] [7.11769861e-02 7.16201254e-01 5.55968220e-01] [9.28823014e-01 7.16201254e-01 4.44031780e-01] [4.28823014e-01 7.83798746e-01 4.44031780e-01] [5.71176986e-01 7.83798746e-01 5.55968220e-01] [9.28823014e-01 2.83798746e-01 4.44031780e-01] [7.11769861e-02 2.83798746e-01 5.55968220e-01] [1.83120215e-01 7.27618857e-01 5.53239533e-01] [8.16879785e-01 7.27618857e-01 4.46760467e-01] [6.83120215e-01 2.27618857e-01 5.53239533e-01] [3.16879785e-01 2.27618857e-01 4.46760467e-01] [8.16879785e-01 2.72381143e-01 4.46760467e-01] [1.83120215e-01 2.72381143e-01 5.53239533e-01] [3.16879785e-01 7.72381143e-01 4.46760467e-01] [6.83120215e-01 7.72381143e-01 5.53239533e-01] [6.65646043e-01 2.53824551e-01 9.96240383e-01] [3.34353957e-01 2.53824551e-01 3.75961674e-03] [1.65646043e-01 7.53824551e-01 9.96240383e-01] [8.34353957e-01 7.53824551e-01 3.75961674e-03] [3.34353957e-01 7.46175449e-01 3.75961674e-03] [6.65646043e-01 7.46175449e-01 9.96240383e-01] [8.34353957e-01 2.46175449e-01 3.75961674e-03] [1.65646043e-01 2.46175449e-01 9.96240383e-01]] cellpar = Cell([[18.444516586396944, -1.8217599902119008e-16, 0.13593910316971738], [-8.98179647376983e-17, 4.692815752751932, -2.238079788453482e-16], [3.7425276511493406, -1.2500605123699583e-16, 3.676010492607532]]) forces = [[ 1.55897303e-17 -8.14533395e-01 3.88464160e-17] [ 1.55897303e-17 -8.14533395e-01 3.88464160e-17] [-1.55897303e-17 8.14533395e-01 -3.88464160e-17] [-1.55897303e-17 8.14533395e-01 -3.88464160e-17] [-4.80379437e-19 2.50989008e-02 -1.19700720e-18] [-4.80379437e-19 2.50989008e-02 -1.19700720e-18] [ 4.80379437e-19 -2.50989008e-02 1.19700720e-18] [ 4.80379437e-19 -2.50989008e-02 1.19700720e-18] [ 4.73431562e-01 7.39328052e-18 -4.96664643e-01] [-4.73431562e-01 -7.39328052e-18 4.96664643e-01] [ 4.73431562e-01 7.39328052e-18 -4.96664643e-01] [-4.73431562e-01 -7.39328052e-18 4.96664643e-01] [ 6.36550409e-03 1.75408373e-17 -7.29450777e-01] [-6.36550409e-03 -1.75408373e-17 7.29450777e-01] [ 6.36550409e-03 1.75408373e-17 -7.29450777e-01] [-6.36550409e-03 -1.75408373e-17 7.29450777e-01] [-4.34273553e-02 -1.24042596e+00 7.25457156e-01] [ 4.34273553e-02 -1.24042596e+00 -7.25457156e-01] [-4.34273553e-02 -1.24042596e+00 7.25457156e-01] [ 4.34273553e-02 -1.24042596e+00 -7.25457156e-01] [ 4.34273553e-02 1.24042596e+00 -7.25457156e-01] [-4.34273553e-02 1.24042596e+00 7.25457156e-01] [ 4.34273553e-02 1.24042596e+00 -7.25457156e-01] [-4.34273553e-02 1.24042596e+00 7.25457156e-01] [-1.47942479e-01 1.02805158e+00 2.80754023e-01] [ 1.47942479e-01 1.02805158e+00 -2.80754023e-01] [-1.47942479e-01 1.02805158e+00 2.80754023e-01] [ 1.47942479e-01 1.02805158e+00 -2.80754023e-01] [ 1.47942479e-01 -1.02805158e+00 -2.80754023e-01] [-1.47942479e-01 -1.02805158e+00 2.80754023e-01] [ 1.47942479e-01 -1.02805158e+00 -2.80754023e-01] [-1.47942479e-01 -1.02805158e+00 2.80754023e-01] [-4.78050764e-02 1.95352250e-01 8.59535398e-02] [ 4.78050764e-02 1.95352250e-01 -8.59535398e-02] [-4.78050764e-02 1.95352250e-01 8.59535398e-02] [ 4.78050764e-02 1.95352250e-01 -8.59535398e-02] [ 4.78050764e-02 -1.95352250e-01 -8.59535398e-02] [-4.78050764e-02 -1.95352250e-01 8.59535398e-02] [ 4.78050764e-02 -1.95352250e-01 -8.59535398e-02] [-4.78050764e-02 -1.95352250e-01 8.59535398e-02] [ 3.01442442e-01 3.81319519e-01 -4.55929636e-01] [-3.01442442e-01 3.81319519e-01 4.55929636e-01] [ 3.01442442e-01 3.81319519e-01 -4.55929636e-01] [-3.01442442e-01 3.81319519e-01 4.55929636e-01] [-3.01442442e-01 -3.81319519e-01 4.55929636e-01] [ 3.01442442e-01 -3.81319519e-01 -4.55929636e-01] [-3.01442442e-01 -3.81319519e-01 4.55929636e-01] [ 3.01442442e-01 -3.81319519e-01 -4.55929636e-01] [-4.36835749e-02 2.79751894e-01 9.45378007e-01] [ 4.36835749e-02 2.79751894e-01 -9.45378007e-01] [-4.36835749e-02 2.79751894e-01 9.45378007e-01] [ 4.36835749e-02 2.79751894e-01 -9.45378007e-01] [ 4.36835749e-02 -2.79751894e-01 -9.45378007e-01] [-4.36835749e-02 -2.79751894e-01 9.45378007e-01] [ 4.36835749e-02 -2.79751894e-01 -9.45378007e-01] [-4.36835749e-02 -2.79751894e-01 9.45378007e-01] [ 2.08908774e-02 -4.11373704e-01 -8.77937662e-01] [-2.08908774e-02 -4.11373704e-01 8.77937662e-01] [ 2.08908774e-02 -4.11373704e-01 -8.77937662e-01] [-2.08908774e-02 -4.11373704e-01 8.77937662e-01] [-2.08908774e-02 4.11373704e-01 8.77937662e-01] [ 2.08908774e-02 4.11373704e-01 -8.77937662e-01] [-2.08908774e-02 4.11373704e-01 8.77937662e-01] [ 2.08908774e-02 4.11373704e-01 -8.77937662e-01] [-5.31051857e-01 1.25898707e-01 -1.82605516e-01] [ 5.31051857e-01 1.25898707e-01 1.82605516e-01] [-5.31051857e-01 1.25898707e-01 -1.82605516e-01] [ 5.31051857e-01 1.25898707e-01 1.82605516e-01] [ 5.31051857e-01 -1.25898707e-01 1.82605516e-01] [-5.31051857e-01 -1.25898707e-01 -1.82605516e-01] [ 5.31051857e-01 -1.25898707e-01 1.82605516e-01] [-5.31051857e-01 -1.25898707e-01 -1.82605516e-01]] stress = [3.62914489e-01 1.85359436e-02 9.27394692e-02 9.95887665e-18 2.75536856e-02 9.18402970e-18] energy per atom = -27.097366049695424 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0