element(s): ['O', 'Si'] AFLOW prototype label: A2B_mC72_12_eg2i4j_3j Parameter names: ['a', 'b/a', 'c/a', 'beta', '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: ['10.5087', '1.4540524', '0.85698516', '74.4859', '0.27536485', '0.12223681', '0.73167461', '0.23958963', '0.29191239', '0.31075054', '0.16404079', '0.22813733', '0.65417887', '0.66369309', '0.8032498', '0.44202604', '0.62047485', '0.71491182', '0.17844536', '0.12187397', '0.51140197', '0.64803849', '0.75614518', '0.89464549', '0.1961221', '0.10156914', '0.32940499', '0.59902499', '0.60145421', '0.6894754'] 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 = [[0.25 0.25 0. ] [0. 0.27536485 0. ] [0.87776319 0. 0.26832539] [0.76041037 0. 0.70808761] [0.68924946 0.16404079 0.77186267] [0.34582113 0.66369309 0.1967502 ] [0.55797396 0.62047485 0.28508818] [0.82155464 0.12187397 0.48859803] [0.35196151 0.75614518 0.10535451] [0.8038779 0.10156914 0.67059501] [0.40097501 0.60145421 0.3105246 ]] spacegroup = 12 cell = [[10.5087, 0, 0], [0, 15.2802, 0], [2.4088309405256, 0, 8.6776706056387]] ========================================= Step Time Energy fmax BFGS: 0 16:15:21 -294.638952 22.649643 BFGS: 1 16:15:22 -325.910114 22.419608 BFGS: 2 16:15:23 -357.673359 16.995284 BFGS: 3 16:15:24 -386.378402 19.706353 BFGS: 4 16:15:24 -414.172229 15.751860 BFGS: 5 16:15:26 -434.928217 16.406186 BFGS: 6 16:15:26 -449.772427 11.949396 BFGS: 7 16:15:27 -462.035900 11.383030 BFGS: 8 16:15:28 -471.979389 7.455561 BFGS: 9 16:15:29 -477.677628 6.160017 BFGS: 10 16:15:29 -481.365528 4.725498 BFGS: 11 16:15:30 -483.995770 4.581325 BFGS: 12 16:15:30 -486.647355 5.429562 BFGS: 13 16:15:31 -489.466173 6.069300 BFGS: 14 16:15:32 -492.371628 6.571795 BFGS: 15 16:15:33 -495.323085 6.981617 BFGS: 16 16:15:33 -498.279730 7.291409 BFGS: 17 16:15:34 -501.170435 7.480599 BFGS: 18 16:15:34 -503.913060 7.537064 BFGS: 19 16:15:35 -506.466847 7.677402 BFGS: 20 16:15:35 -508.856302 8.159234 BFGS: 21 16:15:35 -511.172569 8.457394 BFGS: 22 16:15:36 -513.504599 8.557281 BFGS: 23 16:15:37 -515.900790 8.522716 BFGS: 24 16:15:37 -518.329097 8.347505 BFGS: 25 16:15:38 -520.737729 8.043554 BFGS: 26 16:15:39 -523.058492 7.627172 BFGS: 27 16:15:39 -525.253203 7.153828 BFGS: 28 16:15:40 -527.304964 6.654260 BFGS: 29 16:15:41 -529.224185 6.164778 BFGS: 30 16:15:42 -531.034475 5.733463 BFGS: 31 16:15:43 -532.763353 5.580892 BFGS: 32 16:15:44 -534.433933 5.417158 BFGS: 33 16:15:45 -536.067817 5.285402 BFGS: 34 16:15:46 -537.676922 5.128457 BFGS: 35 16:15:47 -539.271763 4.986601 BFGS: 36 16:15:48 -540.863372 4.840230 BFGS: 37 16:15:49 -542.457411 4.694440 BFGS: 38 16:15:50 -544.077403 4.543681 BFGS: 39 16:15:51 -545.735056 4.396610 BFGS: 40 16:15:52 -547.507632 4.206082 BFGS: 41 16:15:53 -549.291340 4.024092 BFGS: 42 16:15:54 -551.337435 3.948504 BFGS: 43 16:15:55 -553.850030 3.925331 BFGS: 44 16:15:56 -556.951089 4.262601 BFGS: 45 16:15:56 -560.519938 4.765869 BFGS: 46 16:15:57 -564.720961 5.466660 BFGS: 47 16:15:58 -569.844511 6.167504 BFGS: 48 16:15:59 -576.136237 5.976641 BFGS: 49 16:15:59 -581.316537 6.307147 BFGS: 50 16:16:01 -583.411337 6.603858 BFGS: 51 16:16:01 -585.241212 6.988457 BFGS: 52 16:16:02 -586.965631 7.333979 BFGS: 53 16:16:03 -588.636095 7.624973 BFGS: 54 16:16:03 -590.272910 7.849461 BFGS: 55 16:16:05 -591.886065 7.988333 BFGS: 56 16:16:06 -593.485801 8.021525 BFGS: 57 16:16:07 -595.076399 7.932780 BFGS: 58 16:16:08 -596.665094 7.718143 BFGS: 59 16:16:08 -598.256146 7.374009 BFGS: 60 16:16:10 -599.849403 6.917285 BFGS: 61 16:16:10 -601.440985 6.364134 BFGS: 62 16:16:11 -603.029890 5.753625 BFGS: 63 16:16:11 -604.606450 5.102333 BFGS: 64 16:16:12 -606.172069 4.652323 BFGS: 65 16:16:13 -607.719653 4.507585 BFGS: 66 16:16:14 -609.236820 4.418211 BFGS: 67 16:16:15 -610.721060 4.324012 BFGS: 68 16:16:16 -612.182784 4.236456 BFGS: 69 16:16:17 -613.622972 4.147679 BFGS: 70 16:16:18 -615.053524 4.073240 BFGS: 71 16:16:18 -616.469704 3.986201 BFGS: 72 16:16:19 -617.884798 3.918508 BFGS: 73 16:16:20 -619.290620 3.830380 BFGS: 74 16:16:21 -620.699644 4.295294 BFGS: 75 16:16:22 -622.100723 4.775929 BFGS: 76 16:16:22 -623.496195 5.282529 BFGS: 77 16:16:23 -624.869337 5.752184 BFGS: 78 16:16:24 -626.226391 6.241511 BFGS: 79 16:16:25 -627.561671 6.671751 BFGS: 80 16:16:26 -628.878652 7.115206 BFGS: 81 16:16:27 -630.176993 7.499872 BFGS: 82 16:16:27 -631.458327 7.882361 BFGS: 83 16:16:28 -632.724633 8.219602 BFGS: 84 16:16:28 -633.974188 8.547668 BFGS: 85 16:16:29 -635.208874 8.843207 BFGS: 86 16:16:29 -636.427305 9.127673 BFGS: 87 16:16:30 -637.632636 9.391717 BFGS: 88 16:16:30 -638.824123 9.649454 BFGS: 89 16:16:31 -640.004386 9.899554 BFGS: 90 16:16:32 -641.177456 10.141076 BFGS: 91 16:16:32 -642.344405 10.384050 BFGS: 92 16:16:33 -643.510714 10.616528 BFGS: 93 16:16:34 -644.676115 10.845548 BFGS: 94 16:16:35 -645.841840 11.061131 BFGS: 95 16:16:35 -647.007711 11.257982 BFGS: 96 16:16:36 -648.173120 11.426805 BFGS: 97 16:16:37 -649.335368 11.556760 BFGS: 98 16:16:37 -650.492164 11.631975 BFGS: 99 16:16:38 -651.639898 11.646975 BFGS: 100 16:16:39 -652.776720 11.576382 BFGS: 101 16:16:40 -653.894357 11.423166 BFGS: 102 16:16:41 -654.990806 11.186396 BFGS: 103 16:16:42 -656.054585 11.038422 BFGS: 104 16:16:43 -657.087722 11.113072 BFGS: 105 16:16:44 -658.075246 11.384847 BFGS: 106 16:16:44 -659.030244 11.462353 BFGS: 107 16:16:45 -659.928484 11.521483 BFGS: 108 16:16:46 -660.804479 11.338455 BFGS: 109 16:16:46 -661.628845 11.320446 BFGS: 110 16:16:47 -662.461415 10.978485 BFGS: 111 16:16:48 -663.256020 10.910507 BFGS: 112 16:16:49 -664.071975 10.650225 BFGS: 113 16:16:50 -664.882192 10.513222 BFGS: 114 16:16:50 -665.715660 10.381400 BFGS: 115 16:16:51 -666.562173 10.243079 BFGS: 116 16:16:51 -667.432614 10.207555 BFGS: 117 16:16:52 -668.320374 10.075296 BFGS: 118 16:16:53 -669.230783 10.096822 BFGS: 119 16:16:54 -670.156377 10.016489 BFGS: 120 16:16:55 -670.980961 9.486509 BFGS: 121 16:16:56 -672.077040 9.609493 BFGS: 122 16:16:57 -673.295951 9.616848 BFGS: 123 16:16:58 -674.741130 9.623570 BFGS: 124 16:16:59 -676.490447 9.604236 BFGS: 125 16:17:01 -678.649436 9.522775 BFGS: 126 16:17:02 -681.343393 9.394184 BFGS: 127 16:17:04 -684.707555 9.261035 BFGS: 128 16:17:05 -688.870016 9.927968 BFGS: 129 16:17:06 -693.864446 10.495946 BFGS: 130 16:17:06 -699.504109 10.606556 BFGS: 131 16:17:06 -705.242247 9.768476 BFGS: 132 16:17:07 -709.635217 9.000632 BFGS: 133 16:17:07 -713.345417 9.112817 BFGS: 134 16:17:07 -717.070335 9.633967 BFGS: 135 16:17:07 -720.900977 11.167657 BFGS: 136 16:17:07 -724.799209 12.747954 BFGS: 137 16:17:08 -728.486741 14.114160 BFGS: 138 16:17:08 -731.803181 15.037454 BFGS: 139 16:17:09 -734.800853 16.037307 BFGS: 140 16:17:09 -737.592642 16.822976 BFGS: 141 16:17:10 -740.235854 17.320620 BFGS: 142 16:17:11 -742.739457 17.552482 BFGS: 143 16:17:11 -745.082138 17.577298 BFGS: 144 16:17:12 -747.263987 17.396603 BFGS: 145 16:17:13 -749.306441 17.108292 BFGS: 146 16:17:13 -751.244285 16.732448 BFGS: 147 16:17:14 -753.105711 16.358053 BFGS: 148 16:17:14 -754.909561 15.966680 BFGS: 149 16:17:14 -756.669184 15.626019 BFGS: 150 16:17:15 -758.390082 15.279264 BFGS: 151 16:17:16 -760.079585 14.996051 BFGS: 152 16:17:17 -761.738768 14.690111 BFGS: 153 16:17:18 -763.374309 14.462484 BFGS: 154 16:17:19 -764.987648 14.187318 BFGS: 155 16:17:20 -766.581468 14.001412 BFGS: 156 16:17:21 -768.159010 13.745598 BFGS: 157 16:17:21 -769.719230 13.590289 BFGS: 158 16:17:22 -771.267486 13.351761 BFGS: 159 16:17:23 -772.800962 13.215563 BFGS: 160 16:17:23 -774.323813 12.996105 BFGS: 161 16:17:24 -775.833920 12.852409 BFGS: 162 16:17:25 -777.336089 12.654553 BFGS: 163 16:17:26 -778.825677 12.501371 BFGS: 164 16:17:27 -780.306495 12.318368 BFGS: 165 16:17:28 -781.777587 12.155104 BFGS: 166 16:17:29 -783.239438 11.976884 BFGS: 167 16:17:30 -784.691226 11.806125 BFGS: 168 16:17:30 -786.133681 11.626432 BFGS: 169 16:17:31 -787.565552 11.446389 BFGS: 170 16:17:32 -788.989064 11.260052 BFGS: 171 16:17:33 -790.400388 11.069157 BFGS: 172 16:17:33 -791.803986 10.879413 BFGS: 173 16:17:34 -793.195731 10.677892 BFGS: 174 16:17:35 -794.579992 10.481247 BFGS: 175 16:17:35 -795.953198 10.270321 BFGS: 176 16:17:36 -797.320399 10.069479 BFGS: 177 16:17:37 -798.676076 9.851814 BFGS: 178 16:17:37 -800.027644 9.738870 BFGS: 179 16:17:38 -801.368522 9.729892 BFGS: 180 16:17:38 -802.709764 9.734600 BFGS: 181 16:17:39 -804.038432 9.718950 BFGS: 182 16:17:39 -805.370580 9.727532 BFGS: 183 16:17:40 -806.687699 9.702492 BFGS: 184 16:17:40 -808.013504 9.713466 BFGS: 185 16:17:41 -809.320003 9.674696 BFGS: 186 16:17:41 -810.636694 9.679009 BFGS: 187 16:17:42 -811.936125 9.630740 BFGS: 188 16:17:42 -813.241459 9.615151 BFGS: 189 16:17:43 -814.530076 9.604316 BFGS: 190 16:17:43 -815.820221 9.563402 BFGS: 191 16:17:44 -817.095046 9.571386 BFGS: 192 16:17:44 -818.366438 9.534117 BFGS: 193 16:17:44 -819.623324 9.530284 BFGS: 194 16:17:45 -820.872946 9.492454 BFGS: 195 16:17:45 -822.108128 9.478774 BFGS: 196 16:17:46 -823.333942 9.438556 BFGS: 197 16:17:46 -824.545674 9.417330 BFGS: 198 16:17:47 -825.747312 9.374456 BFGS: 199 16:17:47 -826.935782 9.347987 BFGS: 200 16:17:48 -828.112968 9.305573 BFGS: 201 16:17:49 -829.278236 9.273948 BFGS: 202 16:17:50 -830.433092 9.223912 BFGS: 203 16:17:50 -831.574461 9.199998 BFGS: 204 16:17:51 -832.706214 9.146993 BFGS: 205 16:17:51 -833.823810 9.116772 BFGS: 206 16:17:52 -834.928975 9.060926 BFGS: 207 16:17:52 -836.016755 9.028599 BFGS: 208 16:17:53 -837.090096 8.971675 BFGS: 209 16:17:54 -838.143155 8.932917 BFGS: 210 16:17:54 -839.178317 8.864266 BFGS: 211 16:17:55 -840.189651 8.824158 BFGS: 212 16:17:55 -841.179952 8.745109 BFGS: 213 16:17:56 -842.143372 8.697908 BFGS: 214 16:17:56 -843.082751 8.609647 BFGS: 215 16:17:56 -843.993340 8.552775 BFGS: 216 16:17:56 -844.876688 8.453253 BFGS: 217 16:17:56 -845.728390 8.387709 BFGS: 218 16:17:57 -846.552965 8.276260 BFGS: 219 16:17:57 -847.345952 8.198036 BFGS: 220 16:17:57 -848.111907 8.079989 BFGS: 221 16:17:57 -848.846764 7.993074 BFGS: 222 16:17:57 -849.555312 7.867753 BFGS: 223 16:17:57 -850.235319 7.772579 BFGS: 224 16:17:57 -850.891180 7.636683 BFGS: 225 16:17:58 -851.520723 7.536579 BFGS: 226 16:17:58 -852.128972 7.394330 BFGS: 227 16:17:58 -852.714061 7.289948 BFGS: 228 16:17:58 -853.280112 7.145619 BFGS: 229 16:17:58 -853.826406 7.037009 BFGS: 230 16:17:59 -854.357725 6.889651 BFGS: 231 16:17:59 -854.872167 6.778283 BFGS: 232 16:17:59 -855.374450 6.631453 BFGS: 233 16:18:00 -855.863261 6.516070 BFGS: 234 16:18:00 -856.341741 6.371704 BFGS: 235 16:18:01 -856.809305 6.252891 BFGS: 236 16:18:03 -857.268969 6.109450 BFGS: 237 16:18:04 -857.719932 5.989205 BFGS: 238 16:18:04 -858.164747 5.847125 BFGS: 239 16:18:04 -858.602751 5.729158 BFGS: 240 16:18:05 -859.036425 5.588496 BFGS: 241 16:18:05 -859.464771 5.466728 BFGS: 242 16:18:05 -859.889893 5.329730 BFGS: 243 16:18:05 -860.311072 5.207328 BFGS: 244 16:18:05 -860.730052 5.071135 BFGS: 245 16:18:05 -861.146005 4.949823 BFGS: 246 16:18:05 -861.560619 4.816015 BFGS: 247 16:18:05 -861.973247 4.873724 BFGS: 248 16:18:06 -862.384743 4.965865 BFGS: 249 16:18:06 -862.794820 5.056952 BFGS: 250 16:18:06 -863.204536 5.153972 BFGS: 251 16:18:06 -863.612901 5.250869 BFGS: 252 16:18:06 -864.021266 5.352653 BFGS: 253 16:18:06 -864.428955 5.454465 BFGS: 254 16:18:06 -864.836819 5.560510 BFGS: 255 16:18:07 -865.244285 5.666250 BFGS: 256 16:18:07 -865.652072 5.775269 BFGS: 257 16:18:07 -866.059623 5.884653 BFGS: 258 16:18:07 -866.467601 5.996184 BFGS: 259 16:18:07 -866.875433 6.108725 BFGS: 260 16:18:07 -867.283651 6.222718 BFGS: 261 16:18:08 -867.691767 6.338099 BFGS: 262 16:18:08 -868.100278 6.454841 BFGS: 263 16:18:08 -868.508894 6.573685 BFGS: 264 16:18:08 -868.917657 6.693794 BFGS: 265 16:18:08 -869.326560 6.815654 BFGS: 266 16:18:08 -869.735969 6.935924 BFGS: 267 16:18:09 -870.145279 7.058172 BFGS: 268 16:18:09 -870.554858 7.184935 BFGS: 269 16:18:09 -870.965143 7.307818 BFGS: 270 16:18:09 -871.375899 7.441679 BFGS: 271 16:18:09 -871.787949 7.561988 BFGS: 272 16:18:09 -872.199040 7.699837 BFGS: 273 16:18:10 -872.610038 7.837662 BFGS: 274 16:18:10 -873.020930 7.977516 BFGS: 275 16:18:10 -873.431829 8.118849 BFGS: 276 16:18:10 -873.842671 8.262861 BFGS: 277 16:18:10 -874.253386 8.407276 BFGS: 278 16:18:11 -874.663998 8.553544 BFGS: 279 16:18:11 -875.074489 8.701768 BFGS: 280 16:18:11 -875.485198 8.847705 BFGS: 281 16:18:12 -875.895651 8.996595 BFGS: 282 16:18:13 -876.306178 9.146817 BFGS: 283 16:18:14 -876.717427 9.296213 BFGS: 284 16:18:15 -877.128752 9.447569 BFGS: 285 16:18:16 -877.540613 9.597850 BFGS: 286 16:18:17 -877.952423 9.751007 BFGS: 287 16:18:18 -878.364441 9.905187 BFGS: 288 16:18:18 -878.776890 10.057647 BFGS: 289 16:18:19 -879.189639 10.214580 BFGS: 290 16:18:20 -879.603318 10.370318 BFGS: 291 16:18:20 -880.017538 10.528842 BFGS: 292 16:18:21 -880.432749 10.681892 BFGS: 293 16:18:21 -880.849248 10.840933 BFGS: 294 16:18:22 -881.267506 10.991608 BFGS: 295 16:18:23 -881.685608 11.162265 BFGS: 296 16:18:24 -882.107118 11.254998 BFGS: 297 16:18:24 -882.527715 11.390035 BFGS: 298 16:18:25 -882.950035 11.558181 BFGS: 299 16:18:26 -883.374724 11.710431 BFGS: 300 16:18:27 -883.800947 11.875243 BFGS: 301 16:18:28 -884.228917 12.032229 BFGS: 302 16:18:28 -884.659116 12.194145 BFGS: 303 16:18:29 -885.091815 12.354272 BFGS: 304 16:18:30 -885.527396 12.515008 BFGS: 305 16:18:31 -885.966713 12.674518 BFGS: 306 16:18:31 -886.409666 12.833258 BFGS: 307 16:18:32 -886.856544 12.991541 BFGS: 308 16:18:33 -887.307945 13.150896 BFGS: 309 16:18:33 -887.765028 13.308358 BFGS: 310 16:18:34 -888.227800 13.469188 BFGS: 311 16:18:35 -888.698430 13.620425 BFGS: 312 16:18:35 -889.176267 13.780918 BFGS: 313 16:18:36 -889.662104 13.932915 BFGS: 314 16:18:37 -890.156720 14.090740 BFGS: 315 16:18:38 -890.661375 14.242856 BFGS: 316 16:18:39 -891.178518 14.396910 BFGS: 317 16:18:39 -891.708251 14.547799 BFGS: 318 16:18:40 -892.252366 14.747763 BFGS: 319 16:18:40 -892.812717 15.002520 BFGS: 320 16:18:41 -893.391225 15.259253 BFGS: 321 16:18:42 -893.990685 15.513971 BFGS: 322 16:18:42 -894.614061 15.771985 BFGS: 323 16:18:43 -895.265107 16.027030 BFGS: 324 16:18:44 -895.948660 16.287045 BFGS: 325 16:18:44 -896.671343 16.540147 BFGS: 326 16:18:45 -897.439768 16.805055 BFGS: 327 16:18:45 -898.262868 17.056063 BFGS: 328 16:18:46 -899.149827 17.315027 BFGS: 329 16:18:46 -900.115719 17.562746 BFGS: 330 16:18:47 -901.180473 17.818616 BFGS: 331 16:18:47 -902.370341 18.058576 BFGS: 332 16:18:48 -903.723124 18.304932 BFGS: 333 16:18:48 -905.293026 18.527694 BFGS: 334 16:18:48 -907.162290 18.749257 BFGS: 335 16:18:49 -909.456962 18.934614 BFGS: 336 16:18:49 -912.373040 19.097070 BFGS: 337 16:18:50 -916.227604 19.199035 BFGS: 338 16:18:50 -920.541273 19.208994 BFGS: 339 16:18:51 -925.200622 19.117975 BFGS: 340 16:18:51 -930.195221 18.907589 BFGS: 341 16:18:52 -935.476265 18.522236 BFGS: 342 16:18:52 -940.924650 17.876160 BFGS: 343 16:18:53 -946.360955 16.864971 BFGS: 344 16:18:53 -951.638225 15.425283 BFGS: 345 16:18:54 -956.824171 13.535254 BFGS: 346 16:18:54 -961.970350 11.947805 BFGS: 347 16:18:55 -965.691534 11.559582 BFGS: 348 16:18:55 -968.663150 11.164998 BFGS: 349 16:18:56 -971.294709 11.271932 BFGS: 350 16:18:56 -973.694150 11.376066 BFGS: 351 16:18:57 -975.881826 11.472186 BFGS: 352 16:18:57 -977.846832 11.566503 BFGS: 353 16:18:58 -979.590801 11.659889 BFGS: 354 16:18:58 -981.144331 11.745411 BFGS: 355 16:18:59 -982.548164 11.819716 BFGS: 356 16:18:59 -983.837448 11.883963 BFGS: 357 16:19:00 -985.039573 11.933554 BFGS: 358 16:19:00 -986.176072 11.971699 BFGS: 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16:23:09 -1545.836843 11.217068 BFGS: 764 16:23:10 -1546.711422 11.182028 BFGS: 765 16:23:11 -1547.580277 11.142191 BFGS: 766 16:23:11 -1548.453276 11.124598 BFGS: 767 16:23:12 -1549.312896 11.079041 BFGS: 768 16:23:13 -1550.157613 11.070890 BFGS: 769 16:23:14 -1551.045640 11.136454 BFGS: 770 16:23:14 -1551.917261 11.193364 BFGS: 771 16:23:15 -1552.798773 11.245289 BFGS: 772 16:23:16 -1553.674702 11.299689 BFGS: 773 16:23:16 -1554.555050 11.347915 BFGS: 774 16:23:17 -1555.433909 11.397003 BFGS: 775 16:23:17 -1556.316697 11.441441 BFGS: 776 16:23:18 -1557.198591 11.486175 BFGS: 777 16:23:18 -1558.082778 11.528208 BFGS: 778 16:23:19 -1558.965290 11.570959 BFGS: 779 16:23:20 -1559.849031 11.611845 BFGS: 780 16:23:21 -1560.731602 11.653119 BFGS: 781 16:23:22 -1561.615110 11.693191 BFGS: 782 16:23:23 -1562.497495 11.736819 BFGS: 783 16:23:24 -1563.383304 11.776614 BFGS: 784 16:23:24 -1564.267219 11.817201 BFGS: 785 16:23:25 -1565.149419 11.856878 BFGS: 786 16:23:26 -1566.029236 11.899221 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16:23:37 -1617.119514 23.823363 BFGS: 859 16:23:37 -1617.953139 23.930197 BFGS: 860 16:23:37 -1618.796553 24.038377 BFGS: 861 16:23:37 -1619.646468 24.142247 BFGS: 862 16:23:38 -1620.502250 24.244564 BFGS: 863 16:23:38 -1621.366060 24.343164 BFGS: 864 16:23:38 -1622.234620 24.439827 BFGS: 865 16:23:38 -1623.110965 24.534641 BFGS: 866 16:23:38 -1623.992744 24.626057 BFGS: 867 16:23:38 -1624.881346 24.716177 BFGS: 868 16:23:38 -1625.778198 24.802595 BFGS: 869 16:23:38 -1626.679387 24.886757 BFGS: 870 16:23:38 -1627.589599 24.967997 BFGS: 871 16:23:39 -1628.504724 25.046998 BFGS: 872 16:23:39 -1629.426080 25.122817 BFGS: 873 16:23:39 -1630.355760 25.195364 BFGS: 874 16:23:39 -1631.292630 25.264876 BFGS: 875 16:23:39 -1632.236609 25.330855 BFGS: 876 16:23:39 -1633.186344 25.392743 BFGS: 877 16:23:39 -1634.143326 25.451033 BFGS: 878 16:23:39 -1635.107329 25.504934 BFGS: 879 16:23:40 -1636.078857 25.554739 BFGS: 880 16:23:40 -1637.054074 25.599468 BFGS: 881 16:23:40 -1638.036104 25.641169 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BFGS: 977 16:24:34 -1723.028521 19.631428 BFGS: 978 16:24:35 -1723.611637 19.550367 BFGS: 979 16:24:36 -1724.186671 19.464245 BFGS: 980 16:24:37 -1724.753529 19.378184 BFGS: 981 16:24:37 -1725.310960 19.288062 BFGS: 982 16:24:38 -1725.859886 19.200566 BFGS: 983 16:24:39 -1726.399648 19.108946 BFGS: 984 16:24:40 -1726.929388 19.018721 BFGS: 985 16:24:41 -1727.450029 18.926346 BFGS: 986 16:24:41 -1727.961539 18.835677 BFGS: 987 16:24:42 -1728.462781 18.740327 BFGS: 988 16:24:43 -1728.953297 18.647952 BFGS: 989 16:24:43 -1729.433959 18.554584 BFGS: 990 16:24:44 -1729.905868 18.465974 BFGS: 991 16:24:45 -1730.366102 18.371973 BFGS: 992 16:24:45 -1730.816956 18.285109 BFGS: 993 16:24:46 -1731.256655 18.192802 BFGS: 994 16:24:47 -1731.686365 18.107138 BFGS: 995 16:24:47 -1732.106132 18.019525 BFGS: 996 16:24:48 -1732.516017 17.936418 BFGS: 997 16:24:49 -1732.916985 17.852706 BFGS: 998 16:24:50 -1733.308042 17.773944 BFGS: 999 16:24:51 -1733.691197 17.694764 BFGS: 1000 16:24:51 -1734.065225 17.620716 BFGS: 1001 16:24:52 -1734.431998 17.545193 BFGS: 1002 16:24:53 -1734.791635 17.472624 BFGS: 1003 16:24:54 -1735.145576 17.400277 BFGS: 1004 16:24:54 -1735.491653 17.328103 BFGS: 1005 16:24:55 -1735.833680 17.259853 BFGS: 1006 16:24:56 -1736.170187 17.190023 BFGS: 1007 16:24:56 -1736.504218 17.124522 BFGS: 1008 16:24:57 -1736.835119 17.052667 BFGS: 1009 16:24:57 -1737.164355 16.980318 BFGS: 1010 16:24:58 -1737.492650 16.907016 BFGS: 1011 16:24:59 -1737.821028 16.830415 BFGS: 1012 16:24:59 -1738.149753 16.749168 BFGS: 1013 16:25:00 -1738.480660 16.664838 BFGS: 1014 16:25:00 -1738.813589 16.575150 BFGS: 1015 16:25:01 -1739.151074 16.480987 BFGS: 1016 16:25:02 -1739.492316 16.374668 BFGS: 1017 16:25:02 -1739.839590 16.262743 BFGS: 1018 16:25:03 -1740.191954 16.142746 BFGS: 1019 16:25:03 -1740.551811 16.012157 BFGS: 1020 16:25:04 -1740.918135 15.870072 BFGS: 1021 16:25:05 -1741.292924 15.715128 BFGS: 1022 16:25:05 -1741.674079 15.547142 BFGS: 1023 16:25:06 -1742.064354 15.365954 BFGS: 1024 16:25:06 -1742.461016 15.169766 BFGS: 1025 16:25:07 -1742.865123 14.953157 BFGS: 1026 16:25:07 -1743.274534 14.726133 BFGS: 1027 16:25:08 -1743.690185 14.473592 BFGS: 1028 16:25:09 -1744.107950 14.213794 BFGS: 1029 16:25:10 -1744.528062 13.923178 BFGS: 1030 16:25:11 -1744.944409 13.631295 BFGS: 1031 16:25:12 -1745.358307 13.312590 BFGS: 1032 16:25:13 -1745.757916 13.007476 BFGS: 1033 16:25:14 -1746.145280 12.679869 BFGS: 1034 16:25:15 -1746.498911 12.410590 BFGS: 1035 16:25:16 -1746.819902 12.135383 BFGS: 1036 16:25:16 -1747.069383 12.081840 BFGS: 1037 16:25:17 -1747.244718 12.012387 BFGS: 1038 16:25:18 -1747.384157 12.265452 BFGS: 1039 16:25:19 -1747.499012 12.430591 BFGS: 1040 16:25:20 -1747.602453 12.508686 BFGS: 1041 16:25:21 -1747.691295 12.714674 BFGS: 1042 16:25:21 -1747.767535 12.720581 BFGS: 1043 16:25:22 -1747.838223 13.007308 BFGS: 1044 16:25:23 -1747.922883 12.831913 BFGS: 1045 16:25:24 -1748.033966 13.141139 BFGS: 1046 16:25:24 -1748.235054 12.810581 BFGS: 1047 16:25:24 -1748.369251 12.708046 BFGS: 1048 16:25:24 -1748.459574 12.492197 BFGS: 1049 16:25:25 -1748.539057 12.310976 BFGS: 1050 16:25:26 -1748.620750 12.084750 BFGS: 1051 16:25:26 -1748.722126 11.792305 BFGS: 1052 16:25:27 -1748.851465 11.417870 BFGS: 1053 16:25:27 -1748.992802 11.156293 BFGS: 1054 16:25:28 -1749.115986 11.065569 BFGS: 1055 16:25:28 -1749.216923 11.068467 BFGS: 1056 16:25:29 -1749.321072 11.070734 BFGS: 1057 16:25:30 -1749.430997 11.057833 BFGS: 1058 16:25:31 -1749.548970 11.009694 BFGS: 1059 16:25:32 -1749.672379 10.930829 BFGS: 1060 16:25:32 -1749.799584 10.803399 BFGS: 1061 16:25:33 -1749.924702 10.645169 BFGS: 1062 16:25:33 -1750.048598 10.425874 BFGS: 1063 16:25:34 -1750.166094 10.162295 BFGS: 1064 16:25:35 -1750.276031 9.854260 BFGS: 1065 16:25:35 -1750.380578 9.599154 BFGS: 1066 16:25:36 -1750.487553 9.425302 BFGS: 1067 16:25:36 -1750.614708 9.643555 BFGS: 1068 16:25:37 -1750.770793 9.921699 BFGS: 1069 16:25:37 -1750.968062 10.206901 BFGS: 1070 16:25:38 -1751.205831 10.473072 BFGS: 1071 16:25:39 -1751.485654 10.747959 BFGS: 1072 16:25:40 -1751.797718 11.010078 BFGS: 1073 16:25:40 -1752.137088 11.260395 BFGS: 1074 16:25:41 -1752.491100 11.492896 BFGS: 1075 16:25:42 -1752.856374 11.699838 BFGS: 1076 16:25:42 -1753.224204 11.888956 BFGS: 1077 16:25:43 -1753.596420 12.050364 BFGS: 1078 16:25:44 -1753.974449 12.176278 BFGS: 1079 16:25:45 -1754.350126 12.295779 BFGS: 1080 16:25:46 -1754.730641 12.384923 BFGS: 1081 16:25:46 -1755.114351 12.464392 BFGS: 1082 16:25:47 -1755.504551 12.514991 BFGS: 1083 16:25:47 -1755.900559 12.569187 BFGS: 1084 16:25:48 -1756.305753 12.591958 BFGS: 1085 16:25:49 -1756.713165 12.637428 BFGS: 1086 16:25:50 -1757.131185 12.635328 BFGS: 1087 16:25:51 -1757.541064 12.698262 BFGS: 1088 16:25:52 -1757.965402 12.663547 BFGS: 1089 16:25:53 -1758.372746 12.773430 BFGS: 1090 16:25:54 -1758.800311 12.710654 BFGS: 1091 16:25:55 -1759.206945 12.821157 BFGS: 1092 16:25:56 -1759.625916 12.802735 BFGS: 1093 16:25:57 -1760.030749 12.882079 BFGS: 1094 16:25:58 -1760.439427 12.908321 BFGS: 1095 16:25:59 -1760.840195 12.975720 BFGS: 1096 16:26:00 -1761.239915 13.021105 BFGS: 1097 16:26:01 -1761.633941 13.089746 BFGS: 1098 16:26:01 -1762.025143 13.144757 BFGS: 1099 16:26:02 -1762.411018 13.218714 BFGS: 1100 16:26:03 -1762.795603 13.282673 BFGS: 1101 16:26:04 -1763.175189 13.356734 BFGS: 1102 16:26:05 -1763.555461 13.429578 BFGS: 1103 16:26:05 -1763.931039 13.508059 BFGS: 1104 16:26:06 -1764.306632 13.589226 BFGS: 1105 16:26:07 -1764.678355 13.670767 BFGS: 1106 16:26:08 -1765.050459 13.757224 BFGS: 1107 16:26:09 -1765.421129 13.842234 BFGS: 1108 16:26:10 -1765.791531 13.933024 BFGS: 1109 16:26:11 -1766.161098 14.022431 BFGS: 1110 16:26:12 -1766.531121 14.118052 BFGS: 1111 16:26:13 -1766.898776 14.212855 BFGS: 1112 16:26:14 -1767.266920 14.314876 BFGS: 1113 16:26:15 -1767.633260 14.410697 BFGS: 1114 16:26:16 -1768.001695 14.518340 BFGS: 1115 16:26:17 -1768.368379 14.628300 BFGS: 1116 16:26:18 -1768.737272 14.732568 BFGS: 1117 16:26:19 -1769.106071 14.894435 BFGS: 1118 16:26:20 -1769.477512 15.071630 BFGS: 1119 16:26:21 -1769.849515 15.243203 BFGS: 1120 16:26:22 -1770.223857 15.414837 BFGS: 1121 16:26:23 -1770.599651 15.587167 BFGS: 1122 16:26:24 -1770.977787 15.757998 BFGS: 1123 16:26:25 -1771.356480 15.921530 BFGS: 1124 16:26:25 -1771.737544 16.088957 BFGS: 1125 16:26:26 -1772.120776 16.255660 BFGS: 1126 16:26:26 -1772.505672 16.419940 BFGS: 1127 16:26:27 -1772.893848 16.581731 BFGS: 1128 16:26:27 -1773.285322 16.742929 BFGS: 1129 16:26:28 -1773.681108 16.904925 BFGS: 1130 16:26:28 -1774.080709 17.064899 BFGS: 1131 16:26:29 -1774.485788 17.223564 BFGS: 1132 16:26:29 -1774.894421 17.386752 BFGS: 1133 16:26:30 -1775.310242 17.546041 BFGS: 1134 16:26:30 -1775.728642 17.703325 BFGS: 1135 16:26:31 -1776.156081 17.863003 BFGS: 1136 16:26:31 -1776.586457 18.021333 BFGS: 1137 16:26:32 -1777.027363 18.181858 BFGS: 1138 16:26:32 -1777.470021 18.338693 BFGS: 1139 16:26:33 -1777.924590 18.500111 BFGS: 1140 16:26:33 -1778.377983 18.738671 BFGS: 1141 16:26:34 -1778.844355 19.041316 BFGS: 1142 16:26:34 -1779.312802 19.375751 BFGS: 1143 16:26:35 -1779.796116 19.682384 BFGS: 1144 16:26:35 -1780.284229 20.012161 BFGS: 1145 16:26:36 -1780.788754 20.318350 BFGS: 1146 16:26:36 -1781.300996 20.645286 BFGS: 1147 16:26:37 -1781.829171 20.949175 BFGS: 1148 16:26:37 -1782.365672 21.274572 BFGS: 1149 16:26:38 -1782.918929 21.578690 BFGS: 1150 16:26:39 -1783.483192 21.895712 BFGS: 1151 16:26:40 -1784.066799 22.200333 BFGS: 1152 16:26:41 -1784.668933 22.514168 BFGS: 1153 16:26:41 -1785.287698 22.820404 BFGS: 1154 16:26:42 -1785.930762 23.122752 BFGS: 1155 16:26:42 -1786.592643 23.429104 BFGS: 1156 16:26:43 -1787.286599 23.721171 BFGS: 1157 16:26:43 -1788.002278 24.021276 BFGS: 1158 16:26:44 -1788.759487 24.300872 BFGS: 1159 16:26:44 -1789.538706 24.597373 BFGS: 1160 16:26:45 -1790.363034 24.866415 BFGS: 1161 16:26:45 -1791.218000 25.151173 BFGS: 1162 16:26:46 -1792.136583 25.393498 BFGS: 1163 16:26:46 -1793.089703 25.660379 BFGS: 1164 16:26:47 -1794.123845 25.861451 BFGS: 1165 16:26:47 -1795.207734 26.110205 BFGS: 1166 16:26:48 -1796.402125 26.265701 BFGS: 1167 16:26:48 -1797.671782 26.469362 BFGS: 1168 16:26:49 -1799.004547 26.537886 BFGS: 1169 16:26:49 -1800.345818 26.659626 BFGS: 1170 16:26:50 -1801.747200 26.604422 BFGS: 1171 16:26:50 -1803.178727 26.709063 BFGS: 1172 16:26:51 -1804.696010 27.147072 BFGS: 1173 16:26:51 -1806.243953 27.419514 BFGS: 1174 16:26:52 -1807.916461 27.842388 BFGS: 1175 16:26:52 -1809.615518 28.039049 BFGS: 1176 16:26:53 -1811.497922 28.428519 BFGS: 1177 16:26:54 -1813.401096 28.535157 BFGS: 1178 16:26:54 -1815.055877 28.770490 BFGS: 1179 16:26:55 -1816.601052 28.781121 BFGS: 1180 16:26:55 -1817.821733 28.860341 BFGS: 1181 16:26:56 -1819.037713 28.846584 BFGS: 1182 16:26:56 -1820.061824 28.851700 BFGS: 1183 16:26:57 -1821.075807 28.833578 BFGS: 1184 16:26:57 -1821.991605 28.806526 BFGS: 1185 16:26:58 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-1893.580225 27.686913 BFGS: 1301 16:27:58 -1894.058352 27.764444 BFGS: 1302 16:27:58 -1894.535401 27.833064 BFGS: 1303 16:27:59 -1895.011710 27.882773 BFGS: 1304 16:27:59 -1895.486173 27.922698 BFGS: 1305 16:28:00 -1895.960970 27.939171 BFGS: 1306 16:28:00 -1896.434268 27.949681 BFGS: 1307 16:28:01 -1896.907063 27.941842 BFGS: 1308 16:28:01 -1897.378866 27.924227 BFGS: 1309 16:28:02 -1897.850957 27.889155 BFGS: 1310 16:28:03 -1898.321669 27.842063 BFGS: 1311 16:28:03 -1898.792177 27.782016 BFGS: 1312 16:28:04 -1899.261516 27.709970 BFGS: 1313 16:28:04 -1899.730616 27.626003 BFGS: 1314 16:28:05 -1900.198409 27.532884 BFGS: 1315 16:28:05 -1900.666339 27.426690 BFGS: 1316 16:28:06 -1901.133310 27.308476 BFGS: 1317 16:28:06 -1901.600175 27.178800 BFGS: 1318 16:28:07 -1902.066406 27.037940 BFGS: 1319 16:28:07 -1902.532802 26.886057 BFGS: 1320 16:28:08 -1902.998813 26.725317 BFGS: 1321 16:28:08 -1903.464735 26.550443 BFGS: 1322 16:28:09 -1903.931422 26.365743 BFGS: 1323 16:28:09 -1904.398369 26.174002 BFGS: 1324 16:28:10 -1904.865980 25.964390 BFGS: 1325 16:28:10 -1905.333502 25.753827 BFGS: 1326 16:28:11 -1905.803242 25.517767 BFGS: 1327 16:28:11 -1906.273775 25.282148 BFGS: 1328 16:28:12 -1906.745872 25.022725 BFGS: 1329 16:28:12 -1907.219441 24.762354 BFGS: 1330 16:28:13 -1907.695340 24.478985 BFGS: 1331 16:28:14 -1908.173577 24.189594 BFGS: 1332 16:28:14 -1908.654131 23.879470 BFGS: 1333 16:28:15 -1909.137534 23.560669 BFGS: 1334 16:28:15 -1909.623664 23.222541 BFGS: 1335 16:28:16 -1910.113226 22.873968 BFGS: 1336 16:28:16 -1910.605773 22.506864 BFGS: 1337 16:28:17 -1911.102899 22.126179 BFGS: 1338 16:28:17 -1911.602654 21.728542 BFGS: 1339 16:28:18 -1912.107102 21.318678 BFGS: 1340 16:28:18 -1912.615905 20.892065 BFGS: 1341 16:28:19 -1913.130191 20.446577 BFGS: 1342 16:28:19 -1913.650343 19.972511 BFGS: 1343 16:28:20 -1914.176982 19.497645 BFGS: 1344 16:28:20 -1914.712075 18.971573 BFGS: 1345 16:28:21 -1915.253860 18.443930 BFGS: 1346 16:28:21 -1915.804754 17.872400 BFGS: 1347 16:28:22 -1916.363841 17.300240 BFGS: 1348 16:28:22 -1916.933880 16.752842 BFGS: 1349 16:28:23 -1917.516355 16.445863 BFGS: 1350 16:28:23 -1918.111517 16.117888 BFGS: 1351 16:28:24 -1918.719148 15.768549 BFGS: 1352 16:28:25 -1919.345256 15.393054 BFGS: 1353 16:28:25 -1919.991438 14.991127 BFGS: 1354 16:28:26 -1920.657464 14.560922 BFGS: 1355 16:28:26 -1921.354047 14.089170 BFGS: 1356 16:28:27 -1922.069654 13.595628 BFGS: 1357 16:28:27 -1922.830104 13.038697 BFGS: 1358 16:28:28 -1923.603250 12.476290 BFGS: 1359 16:28:28 -1924.431144 11.816437 BFGS: 1360 16:28:29 -1925.244049 11.220441 BFGS: 1361 16:28:29 -1926.060079 10.561424 BFGS: 1362 16:28:30 -1926.785877 10.095468 BFGS: 1363 16:28:30 -1927.452291 9.626916 BFGS: 1364 16:28:31 -1928.042656 9.323236 BFGS: 1365 16:28:31 -1928.592432 9.015454 BFGS: 1366 16:28:32 -1929.106092 8.786893 BFGS: 1367 16:28:33 -1929.598140 8.544387 BFGS: 1368 16:28:33 -1930.069322 8.343927 BFGS: 1369 16:28:34 -1930.525900 8.123080 BFGS: 1370 16:28:34 -1930.968100 7.914448 BFGS: 1371 16:28:35 -1931.396972 7.697017 BFGS: 1372 16:28:35 -1931.811752 7.478659 BFGS: 1373 16:28:36 -1932.212797 7.247790 BFGS: 1374 16:28:36 -1932.599349 7.007433 BFGS: 1375 16:28:37 -1932.970574 6.757629 BFGS: 1376 16:28:37 -1933.324319 6.504239 BFGS: 1377 16:28:38 -1933.660935 6.229562 BFGS: 1378 16:28:38 -1933.977947 5.948070 BFGS: 1379 16:28:39 -1934.273653 5.655205 BFGS: 1380 16:28:40 -1934.546016 5.356890 BFGS: 1381 16:28:40 -1934.793796 5.051624 BFGS: 1382 16:28:41 -1935.015193 4.744764 BFGS: 1383 16:28:41 -1935.208957 4.435252 BFGS: 1384 16:28:42 -1935.373142 4.133652 BFGS: 1385 16:28:42 -1935.507060 3.842578 BFGS: 1386 16:28:43 -1935.611307 3.580670 BFGS: 1387 16:28:43 -1935.692379 3.380181 BFGS: 1388 16:28:44 -1935.755577 3.454112 BFGS: 1389 16:28:44 -1935.905123 3.633189 BFGS: 1390 16:28:45 -1936.041852 3.635299 BFGS: 1391 16:28:45 -1936.167679 3.579221 BFGS: 1392 16:28:46 -1936.268176 3.500454 BFGS: 1393 16:28:46 -1936.357148 3.552767 BFGS: 1394 16:28:47 -1936.439535 3.657634 BFGS: 1395 16:28:47 -1936.514144 3.616037 BFGS: 1396 16:28:48 -1936.573021 3.532917 BFGS: 1397 16:28:49 -1936.615261 3.195179 BFGS: 1398 16:28:49 -1936.643006 3.067400 BFGS: 1399 16:28:50 -1936.675978 2.884459 BFGS: 1400 16:28:50 -1936.710726 2.879063 BFGS: 1401 16:28:51 -1936.736432 2.897933 BFGS: 1402 16:28:51 -1936.750856 3.031476 BFGS: 1403 16:28:52 -1936.762023 3.107735 BFGS: 1404 16:28:52 -1936.773849 3.158880 BFGS: 1405 16:28:53 -1936.784015 3.085643 BFGS: 1406 16:28:53 -1936.791885 2.931627 BFGS: 1407 16:28:54 -1936.797951 2.721950 BFGS: 1408 16:28:54 -1936.804800 2.466473 BFGS: 1409 16:28:55 -1936.810553 2.343507 BFGS: 1410 16:28:55 -1936.817775 2.526761 BFGS: 1411 16:28:56 -1936.823159 2.534870 BFGS: 1412 16:28:57 -1936.833894 2.482641 BFGS: 1413 16:28:57 -1936.843687 2.320292 BFGS: 1414 16:28:58 -1936.857476 2.180401 BFGS: 1415 16:28:58 -1936.867248 2.207479 BFGS: 1416 16:28:59 -1936.877823 2.214661 BFGS: 1417 16:28:59 -1936.888877 2.201990 BFGS: 1418 16:29:00 -1936.903861 2.170898 BFGS: 1419 16:29:00 -1936.917164 2.145080 BFGS: 1420 16:29:01 -1936.927059 2.137338 BFGS: 1421 16:29:01 -1936.935698 2.146035 BFGS: 1422 16:29:02 -1936.946032 2.164607 BFGS: 1423 16:29:02 -1936.957080 2.180338 BFGS: 1424 16:29:03 -1936.965497 2.185942 BFGS: 1425 16:29:03 -1936.970744 2.173758 BFGS: 1426 16:29:04 -1936.974207 2.159623 BFGS: 1427 16:29:05 -1936.976839 2.143617 BFGS: 1428 16:29:05 -1936.978316 2.143918 BFGS: 1429 16:29:06 -1936.979246 2.147015 BFGS: 1430 16:29:06 -1936.979808 2.155624 BFGS: 1431 16:29:07 -1936.980342 2.163651 BFGS: 1432 16:29:07 -1936.980820 2.178375 BFGS: 1433 16:29:08 -1936.981383 2.196019 BFGS: 1434 16:29:08 -1936.981805 2.212732 BFGS: 1435 16:29:09 -1936.982223 2.221705 BFGS: 1436 16:29:09 -1936.982735 2.228690 BFGS: 1437 16:29:10 -1936.983740 2.231662 BFGS: 1438 16:29:11 -1936.985753 2.233637 BFGS: 1439 16:29:11 -1936.990690 2.229273 BFGS: 1440 16:29:12 -1937.002052 2.215633 BFGS: 1441 16:29:12 -1937.029041 2.162813 BFGS: 1442 16:29:13 -1937.085913 2.418805 BFGS: 1443 16:29:13 -1937.205070 2.943435 BFGS: 1444 16:29:14 -1937.396741 2.982842 BFGS: 1445 16:29:14 -1937.599052 2.301432 BFGS: 1446 16:29:15 -1937.757184 1.529047 BFGS: 1447 16:29:15 -1937.890213 1.532476 BFGS: 1448 16:29:16 -1937.945456 1.585910 BFGS: 1449 16:29:16 -1937.968467 1.537324 BFGS: 1450 16:29:17 -1937.976601 1.489971 BFGS: 1451 16:29:17 -1937.978818 1.469829 BFGS: 1452 16:29:18 -1937.980187 1.462599 BFGS: 1453 16:29:18 -1937.980735 1.465010 BFGS: 1454 16:29:19 -1937.982479 1.481898 BFGS: 1455 16:29:20 -1937.984292 1.503348 BFGS: 1456 16:29:20 -1937.989556 1.544397 BFGS: 1457 16:29:21 -1938.002230 1.609882 BFGS: 1458 16:29:22 -1938.033400 1.824588 BFGS: 1459 16:29:22 -1938.104168 2.013714 BFGS: 1460 16:29:23 -1938.217163 1.920133 BFGS: 1461 16:29:24 -1938.336901 1.578248 BFGS: 1462 16:29:25 -1938.385704 1.035292 BFGS: 1463 16:29:26 -1938.392743 1.191776 BFGS: 1464 16:29:26 -1938.393282 1.204713 BFGS: 1465 16:29:27 -1938.393368 1.196654 BFGS: 1466 16:29:28 -1938.393445 1.179562 BFGS: 1467 16:29:28 -1938.393487 1.170409 BFGS: 1468 16:29:29 -1938.393657 1.141466 BFGS: 1469 16:29:30 -1938.393978 1.104501 BFGS: 1470 16:29:30 -1938.394856 1.037350 BFGS: 1471 16:29:31 -1938.397003 0.931888 BFGS: 1472 16:29:32 -1938.402529 0.878764 BFGS: 1473 16:29:33 -1938.416143 0.928837 BFGS: 1474 16:29:34 -1938.447686 1.018189 BFGS: 1475 16:29:34 -1938.509677 1.083028 BFGS: 1476 16:29:35 -1938.597718 1.067026 BFGS: 1477 16:29:36 -1938.665000 0.746179 BFGS: 1478 16:29:36 -1938.688817 0.339282 BFGS: 1479 16:29:37 -1938.690734 0.324382 BFGS: 1480 16:29:38 -1938.690841 0.329192 BFGS: 1481 16:29:39 -1938.690860 0.331385 BFGS: 1482 16:29:39 -1938.690869 0.331013 BFGS: 1483 16:29:40 -1938.690873 0.332008 BFGS: 1484 16:29:41 -1938.690875 0.332188 BFGS: 1485 16:29:41 -1938.690875 0.332980 BFGS: 1486 16:29:42 -1938.690876 0.332938 BFGS: 1487 16:29:43 -1938.690876 0.333055 BFGS: 1488 16:29:44 -1938.690876 0.332917 BFGS: 1489 16:29:44 -1938.690878 0.332614 BFGS: 1490 16:29:45 -1938.690882 0.331971 BFGS: 1491 16:29:46 -1938.690893 0.330792 BFGS: 1492 16:29:46 -1938.690920 0.328722 BFGS: 1493 16:29:47 -1938.690990 0.325269 BFGS: 1494 16:29:47 -1938.691173 0.319704 BFGS: 1495 16:29:47 -1938.691647 0.311250 BFGS: 1496 16:29:47 -1938.692880 0.299634 BFGS: 1497 16:29:48 -1938.695947 0.308938 BFGS: 1498 16:29:48 -1938.701184 0.312449 BFGS: 1499 16:29:48 -1938.714013 0.273694 BFGS: 1500 16:29:49 -1938.724040 0.182749 BFGS: 1501 16:29:50 -1938.730196 0.066258 BFGS: 1502 16:29:50 -1938.731725 0.013074 BFGS: 1503 16:29:51 -1938.731859 0.008408 BFGS: 1504 16:29:52 -1938.731867 0.003222 BFGS: 1505 16:29:52 -1938.731868 0.000812 BFGS: 1506 16:29:53 -1938.731868 0.000176 BFGS: 1507 16:29:54 -1938.731868 0.000048 BFGS: 1508 16:29:54 -1938.731868 0.000010 BFGS: 1509 16:29:55 -1938.731868 0.000003 BFGS: 1510 16:29:55 -1938.731868 0.000001 BFGS: 1511 16:29:55 -1938.731868 0.000000 BFGS: 1512 16:29:56 -1938.731868 0.000000 BFGS: 1513 16:29:56 -1938.731868 0.000000 BFGS: 1514 16:29:57 -1938.731868 0.000000 BFGS: 1515 16:29:58 -1938.731868 0.000000 Minimization converged after 1515 steps. Maximum force component: 4.279344386728706e-09 eV/Angstrom Maximum stress component: 1.829578870504404e-10 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 = [[2.50000000e-01 2.50000000e-01 4.41564049e-17] [7.50000000e-01 2.50000000e-01 1.00000000e+00] [7.50000000e-01 7.50000000e-01 1.00000000e+00] [2.50000000e-01 7.50000000e-01 8.83128097e-17] [1.00000000e+00 3.64314417e-01 3.07213666e-31] [5.00000000e-01 8.64314417e-01 8.83128097e-17] [1.00000000e+00 6.35685583e-01 2.87604283e-31] [5.00000000e-01 1.35685583e-01 5.88752065e-17] [6.72252119e-02 2.04909315e-32 3.21244634e-01] [9.32774788e-01 0.00000000e+00 6.78755366e-01] [5.67225212e-01 5.00000000e-01 3.21244634e-01] [4.32774788e-01 5.00000000e-01 6.78755366e-01] [8.35030952e-01 1.27185092e-32 3.64764652e-02] [1.64969048e-01 0.00000000e+00 9.63523535e-01] [3.35030952e-01 5.00000000e-01 3.64764652e-02] [6.64969048e-01 5.00000000e-01 9.63523535e-01] [8.54801342e-01 1.86535658e-01 6.87502517e-01] [1.45198658e-01 1.86535658e-01 3.12497483e-01] [3.54801342e-01 6.86535658e-01 6.87502517e-01] [6.45198658e-01 6.86535658e-01 3.12497483e-01] [1.45198658e-01 8.13464342e-01 3.12497483e-01] [8.54801342e-01 8.13464342e-01 6.87502517e-01] [6.45198658e-01 3.13464342e-01 3.12497483e-01] [3.54801342e-01 3.13464342e-01 6.87502517e-01] [4.51596342e-01 5.49041584e-01 1.72873588e-01] [5.48403658e-01 5.49041584e-01 8.27126412e-01] [9.51596342e-01 4.90415842e-02 1.72873588e-01] [4.84036582e-02 4.90415842e-02 8.27126412e-01] [5.48403658e-01 4.50958416e-01 8.27126412e-01] [4.51596342e-01 4.50958416e-01 1.72873588e-01] [4.84036582e-02 9.50958416e-01 8.27126412e-01] [9.51596342e-01 9.50958416e-01 1.72873588e-01] [4.60226195e-01 6.49525251e-01 1.75080902e-01] [5.39773805e-01 6.49525251e-01 8.24919098e-01] [9.60226195e-01 1.49525251e-01 1.75080902e-01] [3.97738052e-02 1.49525251e-01 8.24919098e-01] [5.39773805e-01 3.50474749e-01 8.24919098e-01] [4.60226195e-01 3.50474749e-01 1.75080902e-01] [3.97738052e-02 8.50474749e-01 8.24919098e-01] [9.60226195e-01 8.50474749e-01 1.75080902e-01] [9.51060867e-01 9.72864356e-02 6.71703142e-01] [4.89391328e-02 9.72864356e-02 3.28296858e-01] [4.51060867e-01 5.97286436e-01 6.71703142e-01] [5.48939133e-01 5.97286436e-01 3.28296858e-01] [4.89391328e-02 9.02713564e-01 3.28296858e-01] [9.51060867e-01 9.02713564e-01 6.71703142e-01] [5.48939133e-01 4.02713564e-01 3.28296858e-01] [4.51060867e-01 4.02713564e-01 6.71703142e-01] [4.29465683e-01 7.70239689e-01 3.08725398e-01] [5.70534317e-01 7.70239689e-01 6.91274602e-01] [9.29465683e-01 2.70239689e-01 3.08725398e-01] [7.05343173e-02 2.70239689e-01 6.91274602e-01] [5.70534317e-01 2.29760311e-01 6.91274602e-01] [4.29465683e-01 2.29760311e-01 3.08725398e-01] [7.05343173e-02 7.29760311e-01 6.91274602e-01] [9.29465683e-01 7.29760311e-01 3.08725398e-01] [7.17375157e-01 1.19455512e-01 1.20770092e-01] [2.82624843e-01 1.19455512e-01 8.79229908e-01] [2.17375157e-01 6.19455512e-01 1.20770092e-01] [7.82624843e-01 6.19455512e-01 8.79229908e-01] [2.82624843e-01 8.80544488e-01 8.79229908e-01] [7.17375157e-01 8.80544488e-01 1.20770092e-01] [7.82624843e-01 3.80544488e-01 8.79229908e-01] [2.17375157e-01 3.80544488e-01 1.20770092e-01] [2.12978083e-01 5.77930319e-01 6.02169378e-01] [7.87021917e-01 5.77930319e-01 3.97830622e-01] [7.12978083e-01 7.79303191e-02 6.02169378e-01] [2.87021917e-01 7.79303191e-02 3.97830622e-01] [7.87021917e-01 4.22069681e-01 3.97830622e-01] [2.12978083e-01 4.22069681e-01 6.02169378e-01] [2.87021917e-01 9.22069681e-01 3.97830622e-01] [7.12978083e-01 9.22069681e-01 6.02169378e-01]] cellpar = Cell([[5.806850881596777, 2.998214634421395e-17, 1.986923424360835], [2.5062268926517848e-17, 13.083321659354986, -1.0463156140527685e-16], [0.9417150754750098, -4.095103087888562e-17, 4.093670585309131]]) forces = [[ 2.93171049e-28 -4.12836839e-29 1.00313998e-28] [ 3.40715510e-28 -5.53787148e-46 3.06991545e-28] [ 2.93171049e-28 1.51371156e-45 1.00313998e-28] [-3.40715510e-28 5.53787148e-46 -3.06991545e-28] [-2.77184404e-27 -1.44699298e-09 1.15720716e-26] [-2.77184404e-27 -1.44699298e-09 1.15720716e-26] [ 2.77184404e-27 1.44699298e-09 -1.15720716e-26] [ 2.77184404e-27 1.44699298e-09 -1.15720716e-26] [ 2.80033228e-09 5.89753242e-26 -2.70650478e-09] [-2.80033228e-09 -5.89753242e-26 2.70650478e-09] [ 2.80033228e-09 5.89753242e-26 -2.70650478e-09] [-2.80033228e-09 -5.89753242e-26 2.70650478e-09] [ 3.10079491e-09 7.52913787e-26 -3.81915509e-09] [-3.10079491e-09 -7.52913787e-26 3.81915509e-09] [ 3.10079491e-09 7.52913787e-26 -3.81915509e-09] [-3.10079491e-09 -7.52913787e-26 3.81915509e-09] [ 1.39956027e-09 -1.00904407e-09 8.49449098e-10] [-1.39956027e-09 -1.00904407e-09 -8.49449098e-10] [ 1.39956027e-09 -1.00904407e-09 8.49449098e-10] [-1.39956027e-09 -1.00904407e-09 -8.49449098e-10] [-1.39956027e-09 1.00904407e-09 -8.49449098e-10] [ 1.39956027e-09 1.00904407e-09 8.49449098e-10] [-1.39956027e-09 1.00904407e-09 -8.49449098e-10] [ 1.39956027e-09 1.00904407e-09 8.49449098e-10] [ 9.24517331e-11 4.27934439e-09 -1.29502193e-09] [-9.24517331e-11 4.27934439e-09 1.29502193e-09] [ 9.24517331e-11 4.27934439e-09 -1.29502193e-09] [-9.24517331e-11 4.27934439e-09 1.29502193e-09] [-9.24517331e-11 -4.27934439e-09 1.29502193e-09] [ 9.24517331e-11 -4.27934439e-09 -1.29502193e-09] [-9.24517331e-11 -4.27934439e-09 1.29502193e-09] [ 9.24517331e-11 -4.27934439e-09 -1.29502193e-09] [-7.01275594e-10 3.24843206e-10 -5.66839830e-10] [ 7.01275594e-10 3.24843206e-10 5.66839830e-10] [-7.01275594e-10 3.24843206e-10 -5.66839830e-10] [ 7.01275594e-10 3.24843206e-10 5.66839830e-10] [ 7.01275594e-10 -3.24843206e-10 5.66839830e-10] [-7.01275594e-10 -3.24843206e-10 -5.66839830e-10] [ 7.01275594e-10 -3.24843206e-10 5.66839830e-10] [-7.01275594e-10 -3.24843206e-10 -5.66839830e-10] [-8.20670840e-10 9.08450888e-10 -3.80045829e-10] [ 8.20670840e-10 9.08450888e-10 3.80045829e-10] [-8.20670840e-10 9.08450888e-10 -3.80045829e-10] [ 8.20670840e-10 9.08450888e-10 3.80045829e-10] [ 8.20670840e-10 -9.08450888e-10 3.80045829e-10] [-8.20670840e-10 -9.08450888e-10 -3.80045829e-10] [ 8.20670840e-10 -9.08450888e-10 3.80045829e-10] [-8.20670840e-10 -9.08450888e-10 -3.80045829e-10] [-2.66505174e-10 -2.34117302e-09 -7.60270636e-10] [ 2.66505174e-10 -2.34117302e-09 7.60270636e-10] [-2.66505174e-10 -2.34117302e-09 -7.60270636e-10] [ 2.66505174e-10 -2.34117302e-09 7.60270636e-10] [ 2.66505174e-10 2.34117302e-09 7.60270636e-10] [-2.66505174e-10 2.34117302e-09 -7.60270636e-10] [ 2.66505174e-10 2.34117302e-09 7.60270636e-10] [-2.66505174e-10 2.34117302e-09 -7.60270636e-10] [ 2.29971651e-09 -1.57166363e-09 -1.00847873e-09] [-2.29971651e-09 -1.57166363e-09 1.00847873e-09] [ 2.29971651e-09 -1.57166363e-09 -1.00847873e-09] [-2.29971651e-09 -1.57166363e-09 1.00847873e-09] [-2.29971651e-09 1.57166363e-09 1.00847873e-09] [ 2.29971651e-09 1.57166363e-09 -1.00847873e-09] [-2.29971651e-09 1.57166363e-09 1.00847873e-09] [ 2.29971651e-09 1.57166363e-09 -1.00847873e-09] [ 1.03064329e-09 -3.44116495e-09 -1.64177068e-11] [-1.03064329e-09 -3.44116495e-09 1.64177068e-11] [ 1.03064329e-09 -3.44116495e-09 -1.64177068e-11] [-1.03064329e-09 -3.44116495e-09 1.64177068e-11] [-1.03064329e-09 3.44116495e-09 1.64177068e-11] [ 1.03064329e-09 3.44116495e-09 -1.64177068e-11] [-1.03064329e-09 3.44116495e-09 1.64177068e-11] [ 1.03064329e-09 3.44116495e-09 -1.64177068e-11]] stress = [ 1.44452857e-10 1.82957887e-10 -4.65722892e-11 -2.98378215e-27 -7.53242261e-11 -3.14731976e-27] energy per atom = -26.92683150087065 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0