element(s): ['O', 'Si'] AFLOW prototype label: A2B_mC48_15_ae3f_2f Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['7.2218', '1.7345399', '1.0053449', '120.1697', '0.38297265', '0.26809323', '0.12365979', '0.94272102', '0.3097446', '0.10419553', '0.3288151', '0.017903941', '0.21138494', '0.47811122', '0.14057703', '0.10837587', '0.073344259', '0.50606235', '0.15851462', '0.54012699'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0. 0.38297265 0.25 ] [0.26809323 0.12365979 0.94272102] [0.3097446 0.10419553 0.3288151 ] [0.01790394 0.21138494 0.47811122] [0.14057703 0.10837587 0.07334426] [0.50606235 0.15851462 0.54012699]] spacegroup = 15 cell = [[7.2218, 0, 0], [0, 12.5265, 0], [-3.6488070820091, 0, 6.2769112657644]] ========================================= Step Time Energy fmax BFGS: 0 15:51:24 -237.454710 20.420058 BFGS: 1 15:51:25 -263.967907 19.506250 BFGS: 2 15:51:25 -284.906026 16.623949 BFGS: 3 15:51:26 -301.725560 14.022893 BFGS: 4 15:51:27 -317.786485 11.435217 BFGS: 5 15:51:27 -330.234887 11.308359 BFGS: 6 15:51:28 -339.288799 8.885718 BFGS: 7 15:51:29 -345.013452 4.826600 BFGS: 8 15:51:30 -349.848993 4.116759 BFGS: 9 15:51:31 -352.135063 4.260754 BFGS: 10 15:51:33 -353.524538 4.795115 BFGS: 11 15:51:34 -354.602390 5.256295 BFGS: 12 15:51:35 -355.564350 5.617688 BFGS: 13 15:51:37 -356.487674 5.915108 BFGS: 14 15:51:38 -357.403574 6.171718 BFGS: 15 15:51:39 -358.323831 6.407351 BFGS: 16 15:51:40 -359.252223 6.623874 BFGS: 17 15:51:41 -360.189156 6.829809 BFGS: 18 15:51:42 -361.132262 7.028035 BFGS: 19 15:51:43 -362.079320 7.220694 BFGS: 20 15:51:44 -363.028579 7.404974 BFGS: 21 15:51:44 -363.978373 7.580901 BFGS: 22 15:51:45 -364.927142 7.749372 BFGS: 23 15:51:46 -365.873387 7.902120 BFGS: 24 15:51:46 -366.816456 8.050302 BFGS: 25 15:51:47 -367.753109 8.183765 BFGS: 26 15:51:47 -368.677701 8.301434 BFGS: 27 15:51:48 -369.585170 8.448854 BFGS: 28 15:51:48 -370.475775 8.622443 BFGS: 29 15:51:49 -371.350288 8.790083 BFGS: 30 15:51:49 -372.206869 8.951635 BFGS: 31 15:51:50 -373.046603 9.106900 BFGS: 32 15:51:50 -373.872773 9.255679 BFGS: 33 15:51:51 -374.688624 9.400859 BFGS: 34 15:51:51 -375.497334 9.547349 BFGS: 35 15:51:52 -376.301012 9.684424 BFGS: 36 15:51:52 -377.102503 9.818945 BFGS: 37 15:51:53 -377.903743 9.951419 BFGS: 38 15:51:53 -378.705413 10.081851 BFGS: 39 15:51:54 -379.507558 10.210590 BFGS: 40 15:51:54 -380.307058 10.339200 BFGS: 41 15:51:55 -381.093825 10.460474 BFGS: 42 15:51:55 -381.849324 10.578104 BFGS: 43 15:51:56 -382.544515 10.676249 BFGS: 44 15:51:56 -383.272916 10.758474 BFGS: 45 15:51:57 -383.992343 10.829633 BFGS: 46 15:51:57 -384.712627 10.897030 BFGS: 47 15:51:58 -385.436519 10.962433 BFGS: 48 15:51:58 -386.162313 11.028121 BFGS: 49 15:51:58 -386.919514 11.089275 BFGS: 50 15:51:59 -387.734477 11.153805 BFGS: 51 15:51:59 -388.623914 11.225317 BFGS: 52 15:51:59 -389.595844 11.302305 BFGS: 53 15:52:00 -390.650121 11.386134 BFGS: 54 15:52:01 -391.791036 11.476010 BFGS: 55 15:52:02 -393.026734 11.575677 BFGS: 56 15:52:02 -394.368238 11.679050 BFGS: 57 15:52:03 -395.827921 11.795668 BFGS: 58 15:52:04 -397.421094 11.915014 BFGS: 59 15:52:05 -399.164917 12.043327 BFGS: 60 15:52:06 -401.079043 12.184481 BFGS: 61 15:52:07 -403.194379 12.331836 BFGS: 62 15:52:08 -405.542486 12.533323 BFGS: 63 15:52:09 -408.170630 12.796544 BFGS: 64 15:52:10 -411.139711 13.081216 BFGS: 65 15:52:11 -414.523406 13.381703 BFGS: 66 15:52:11 -418.414563 13.702249 BFGS: 67 15:52:12 -422.934524 14.034789 BFGS: 68 15:52:13 -428.232474 14.372440 BFGS: 69 15:52:14 -434.501161 14.691092 BFGS: 70 15:52:16 -441.723140 14.946507 BFGS: 71 15:52:17 -449.782496 15.039171 BFGS: 72 15:52:18 -457.833433 14.846812 BFGS: 73 15:52:19 -464.017715 14.652260 BFGS: 74 15:52:20 -469.133728 14.592429 BFGS: 75 15:52:21 -473.809601 14.581353 BFGS: 76 15:52:22 -477.844258 14.601079 BFGS: 77 15:52:23 -481.237160 14.624044 BFGS: 78 15:52:24 -484.029173 14.660434 BFGS: 79 15:52:25 -486.476040 14.709959 BFGS: 80 15:52:26 -488.778234 14.760905 BFGS: 81 15:52:27 -491.024937 14.800653 BFGS: 82 15:52:28 -493.247295 14.828170 BFGS: 83 15:52:28 -495.451397 14.842704 BFGS: 84 15:52:29 -497.631260 14.847466 BFGS: 85 15:52:30 -499.779535 14.838752 BFGS: 86 15:52:31 -501.894157 14.817510 BFGS: 87 15:52:31 -503.969965 14.788198 BFGS: 88 15:52:32 -506.006241 14.752243 BFGS: 89 15:52:32 -508.008706 14.711116 BFGS: 90 15:52:33 -509.979537 14.662229 BFGS: 91 15:52:34 -511.928785 14.611983 BFGS: 92 15:52:34 -513.855653 14.554013 BFGS: 93 15:52:35 -515.772102 14.497821 BFGS: 94 15:52:35 -517.671385 14.432521 BFGS: 95 15:52:35 -519.568109 14.374765 BFGS: 96 15:52:35 -521.445166 14.307565 BFGS: 97 15:52:36 -523.316173 14.254859 BFGS: 98 15:52:36 -525.154691 14.190615 BFGS: 99 15:52:37 -526.981843 14.147141 BFGS: 100 15:52:38 -528.769176 14.099197 BFGS: 101 15:52:39 -530.530487 14.064787 BFGS: 102 15:52:40 -532.251766 14.023717 BFGS: 103 15:52:40 -533.946286 13.995646 BFGS: 104 15:52:41 -535.608716 13.963733 BFGS: 105 15:52:42 -537.247428 13.936250 BFGS: 106 15:52:43 -538.864135 13.911761 BFGS: 107 15:52:43 -540.464880 13.887685 BFGS: 108 15:52:44 -542.051877 13.864066 BFGS: 109 15:52:45 -543.629723 13.841243 BFGS: 110 15:52:46 -545.202027 13.818471 BFGS: 111 15:52:46 -546.772943 13.800107 BFGS: 112 15:52:47 -548.343425 13.776982 BFGS: 113 15:52:48 -549.920833 13.756223 BFGS: 114 15:52:49 -551.505158 13.732533 BFGS: 115 15:52:49 -553.103758 13.708107 BFGS: 116 15:52:50 -554.725760 13.682851 BFGS: 117 15:52:51 -556.380453 13.655501 BFGS: 118 15:52:52 -558.080599 13.625764 BFGS: 119 15:52:53 -559.842249 13.592744 BFGS: 120 15:52:53 -561.690968 13.554824 BFGS: 121 15:52:54 -563.649973 13.502982 BFGS: 122 15:52:54 -565.729430 13.434529 BFGS: 123 15:52:55 -567.905478 13.346797 BFGS: 124 15:52:55 -570.101345 13.230443 BFGS: 125 15:52:56 -572.220165 13.096428 BFGS: 126 15:52:57 -574.231546 12.951068 BFGS: 127 15:52:57 -576.133204 12.799033 BFGS: 128 15:52:58 -577.938383 12.641700 BFGS: 129 15:52:58 -579.660503 12.935573 BFGS: 130 15:52:59 -581.304507 13.279085 BFGS: 131 15:52:59 -582.886966 13.571946 BFGS: 132 15:53:00 -584.417984 13.825137 BFGS: 133 15:53:00 -585.911546 14.034129 BFGS: 134 15:53:00 -587.378310 14.199265 BFGS: 135 15:53:01 -588.829248 14.322298 BFGS: 136 15:53:01 -590.275521 14.403221 BFGS: 137 15:53:02 -591.727126 14.441894 BFGS: 138 15:53:02 -593.196374 14.435707 BFGS: 139 15:53:03 -594.688793 14.385677 BFGS: 140 15:53:03 -596.216877 14.286593 BFGS: 141 15:53:04 -597.782979 14.129281 BFGS: 142 15:53:04 -599.389413 13.910790 BFGS: 143 15:53:05 -601.029926 13.632138 BFGS: 144 15:53:05 -602.685596 13.301016 BFGS: 145 15:53:06 -604.330812 12.922706 BFGS: 146 15:53:06 -605.897160 12.553841 BFGS: 147 15:53:07 -607.365537 12.214077 BFGS: 148 15:53:07 -608.742157 11.910847 BFGS: 149 15:53:08 -610.038066 11.641128 BFGS: 150 15:53:08 -611.271212 11.395927 BFGS: 151 15:53:09 -612.454887 11.222703 BFGS: 152 15:53:10 -613.598466 11.205130 BFGS: 153 15:53:11 -614.709133 11.196177 BFGS: 154 15:53:11 -615.790491 11.194315 BFGS: 155 15:53:12 -616.847434 11.198545 BFGS: 156 15:53:13 -617.882890 11.202987 BFGS: 157 15:53:13 -618.901482 11.209797 BFGS: 158 15:53:14 -619.906509 11.217696 BFGS: 159 15:53:15 -620.899430 11.222891 BFGS: 160 15:53:15 -621.881191 11.226271 BFGS: 161 15:53:16 -622.853404 11.229843 BFGS: 162 15:53:17 -623.816957 11.229622 BFGS: 163 15:53:17 -624.773709 11.228456 BFGS: 164 15:53:18 -625.724612 11.225856 BFGS: 165 15:53:19 -626.671112 11.223390 BFGS: 166 15:53:20 -627.614515 11.221457 BFGS: 167 15:53:20 -628.556085 11.220603 BFGS: 168 15:53:21 -629.497344 11.226173 BFGS: 169 15:53:21 -630.438754 11.227564 BFGS: 170 15:53:22 -631.380632 11.229723 BFGS: 171 15:53:23 -632.323390 11.232391 BFGS: 172 15:53:23 -633.267153 11.235725 BFGS: 173 15:53:24 -634.211585 11.236471 BFGS: 174 15:53:25 -635.156052 11.234738 BFGS: 175 15:53:26 -636.100211 11.231178 BFGS: 176 15:53:26 -637.043532 11.224235 BFGS: 177 15:53:27 -637.985865 11.217406 BFGS: 178 15:53:28 -638.926650 11.207015 BFGS: 179 15:53:28 -639.865524 11.190715 BFGS: 180 15:53:29 -640.803964 11.172172 BFGS: 181 15:53:30 -641.742351 11.188060 BFGS: 182 15:53:31 -642.680670 11.524784 BFGS: 183 15:53:31 -643.619781 11.874525 BFGS: 184 15:53:32 -644.560166 12.223234 BFGS: 185 15:53:33 -645.502184 12.586403 BFGS: 186 15:53:34 -646.445011 12.947747 BFGS: 187 15:53:34 -647.390039 13.325753 BFGS: 188 15:53:35 -648.336916 13.702284 BFGS: 189 15:53:35 -649.285568 14.095669 BFGS: 190 15:53:36 -650.235999 14.485420 BFGS: 191 15:53:36 -651.189405 14.893096 BFGS: 192 15:53:37 -652.146187 15.296066 BFGS: 193 15:53:37 -653.104146 15.718018 BFGS: 194 15:53:38 -654.062847 16.134603 BFGS: 195 15:53:38 -655.023852 16.573286 BFGS: 196 15:53:39 -655.987267 17.008991 BFGS: 197 15:53:40 -656.952592 17.459064 BFGS: 198 15:53:40 -657.923648 17.911038 BFGS: 199 15:53:41 -658.898183 18.374988 BFGS: 200 15:53:41 -659.876822 18.840405 BFGS: 201 15:53:42 -660.860203 19.315846 BFGS: 202 15:53:43 -661.847622 19.794005 BFGS: 203 15:53:44 -662.838910 20.283727 BFGS: 204 15:53:45 -663.835133 20.776292 BFGS: 205 15:53:45 -664.836719 21.279035 BFGS: 206 15:53:46 -665.843043 21.784227 BFGS: 207 15:53:47 -666.853543 22.300484 BFGS: 208 15:53:47 -667.873104 22.821825 BFGS: 209 15:53:48 -668.900784 23.351476 BFGS: 210 15:53:49 -669.935242 23.887005 BFGS: 211 15:53:50 -670.975804 24.426157 BFGS: 212 15:53:50 -672.022266 24.973088 BFGS: 213 15:53:51 -673.075078 25.524864 BFGS: 214 15:53:51 -674.135275 26.085387 BFGS: 215 15:53:52 -675.203487 26.648222 BFGS: 216 15:53:53 -676.281524 27.218547 BFGS: 217 15:53:53 -677.367415 27.787834 BFGS: 218 15:53:54 -678.458185 28.359270 BFGS: 219 15:53:54 -679.554287 28.931320 BFGS: 220 15:53:55 -680.656700 29.506124 BFGS: 221 15:53:55 -681.765532 30.084616 BFGS: 222 15:53:56 -682.879752 30.658253 BFGS: 223 15:53:56 -683.999376 31.229637 BFGS: 224 15:53:57 -685.123622 31.794317 BFGS: 225 15:53:57 -686.251978 32.352974 BFGS: 226 15:53:58 -687.380492 32.902708 BFGS: 227 15:53:58 -688.511022 33.449825 BFGS: 228 15:53:59 -689.645125 33.987171 BFGS: 229 15:53:59 -690.782366 34.516402 BFGS: 230 15:54:00 -691.919810 35.027853 BFGS: 231 15:54:00 -693.055867 35.527350 BFGS: 232 15:54:01 -694.189516 36.013969 BFGS: 233 15:54:01 -695.325351 36.499245 BFGS: 234 15:54:02 -696.468547 36.978221 BFGS: 235 15:54:02 -697.616108 37.443734 BFGS: 236 15:54:02 -698.765442 37.884375 BFGS: 237 15:54:03 -699.894299 38.314324 BFGS: 238 15:54:03 -700.989202 38.714777 BFGS: 239 15:54:04 -702.061885 39.122232 BFGS: 240 15:54:04 -703.138153 39.517738 BFGS: 241 15:54:05 -704.235753 39.931665 BFGS: 242 15:54:05 -705.332333 40.288654 BFGS: 243 15:54:06 -706.399252 40.667669 BFGS: 244 15:54:06 -707.423390 40.989009 BFGS: 245 15:54:07 -708.445975 41.380529 BFGS: 246 15:54:07 -709.492868 41.736695 BFGS: 247 15:54:08 -710.561072 42.104840 BFGS: 248 15:54:08 -711.600529 42.421708 BFGS: 249 15:54:09 -712.607325 42.755513 BFGS: 250 15:54:09 -713.611123 43.091746 BFGS: 251 15:54:09 -714.638948 43.441053 BFGS: 252 15:54:09 -715.678275 43.768226 BFGS: 253 15:54:10 -716.713407 44.081633 BFGS: 254 15:54:10 -717.727820 44.380994 BFGS: 255 15:54:11 -718.722732 44.675725 BFGS: 256 15:54:11 -719.733234 44.984114 BFGS: 257 15:54:12 -720.791120 45.354744 BFGS: 258 15:54:13 -721.871880 45.921811 BFGS: 259 15:54:13 -722.912908 46.355260 BFGS: 260 15:54:14 -723.896979 46.666821 BFGS: 261 15:54:14 -724.900205 47.064557 BFGS: 262 15:54:15 -725.976972 47.666817 BFGS: 263 15:54:15 -727.121529 48.413039 BFGS: 264 15:54:16 -728.256155 49.089713 BFGS: 265 15:54:16 -729.355685 50.167198 BFGS: 266 15:54:17 -730.495939 50.854200 BFGS: 267 15:54:17 -731.657605 51.725693 BFGS: 268 15:54:17 -732.834802 52.544160 BFGS: 269 15:54:18 -734.005363 53.347426 BFGS: 270 15:54:19 -735.168690 54.149921 BFGS: 271 15:54:19 -736.304714 54.880892 BFGS: 272 15:54:20 -737.418020 55.561266 BFGS: 273 15:54:21 -738.532628 56.266977 BFGS: 274 15:54:22 -739.576642 56.751197 BFGS: 275 15:54:23 -740.685762 57.489033 BFGS: 276 15:54:24 -741.694899 57.878835 BFGS: 277 15:54:25 -742.745887 58.435867 BFGS: 278 15:54:25 -743.750955 58.834006 BFGS: 279 15:54:26 -744.761107 59.255760 BFGS: 280 15:54:26 -745.760468 59.638072 BFGS: 281 15:54:27 -746.760807 60.022750 BFGS: 282 15:54:27 -747.769033 60.423126 BFGS: 283 15:54:28 -748.698901 60.552541 BFGS: 284 15:54:28 -749.519703 60.394859 BFGS: 285 15:54:29 -750.610398 60.879060 BFGS: 286 15:54:29 -751.653520 62.363487 BFGS: 287 15:54:30 -752.731665 62.650890 BFGS: 288 15:54:30 -753.958003 63.150138 BFGS: 289 15:54:31 -754.982875 64.518271 BFGS: 290 15:54:31 -756.201809 65.576974 BFGS: 291 15:54:32 -757.474578 66.507021 BFGS: 292 15:54:32 -758.667675 67.574493 BFGS: 293 15:54:33 -759.691714 68.902058 BFGS: 294 15:54:33 -760.680828 70.207779 BFGS: 295 15:54:34 -761.646065 71.526408 BFGS: 296 15:54:35 -762.595025 72.822554 BFGS: 297 15:54:35 -763.540278 74.094176 BFGS: 298 15:54:36 -764.489170 75.335320 BFGS: 299 15:54:36 -765.446173 76.553671 BFGS: 300 15:54:37 -766.411002 77.745643 BFGS: 301 15:54:37 -767.386843 78.919007 BFGS: 302 15:54:38 -768.375535 80.070993 BFGS: 303 15:54:39 -769.377805 81.209785 BFGS: 304 15:54:39 -770.393742 82.330882 BFGS: 305 15:54:40 -771.420699 83.445258 BFGS: 306 15:54:41 -772.464883 84.546505 BFGS: 307 15:54:42 -773.525493 85.641554 BFGS: 308 15:54:43 -774.601741 86.740371 BFGS: 309 15:54:44 -775.691310 87.841818 BFGS: 310 15:54:44 -776.797965 88.946532 BFGS: 311 15:54:45 -777.921906 90.057837 BFGS: 312 15:54:46 -779.062690 91.181240 BFGS: 313 15:54:47 -780.217012 92.314505 BFGS: 314 15:54:47 -781.391189 93.463245 BFGS: 315 15:54:48 -782.585160 94.624637 BFGS: 316 15:54:48 -783.797618 95.807380 BFGS: 317 15:54:49 -785.027763 97.010185 BFGS: 318 15:54:49 -786.277200 98.233648 BFGS: 319 15:54:50 -787.543927 99.472963 BFGS: 320 15:54:51 -788.827000 100.738794 BFGS: 321 15:54:51 -790.127940 102.014122 BFGS: 322 15:54:52 -791.439477 103.320060 BFGS: 323 15:54:52 -792.757844 104.622970 BFGS: 324 15:54:53 -794.081814 105.940318 BFGS: 325 15:54:54 -795.414379 107.259005 BFGS: 326 15:54:55 -796.755075 108.598655 BFGS: 327 15:54:56 -798.106910 109.932249 BFGS: 328 15:54:56 -799.468363 111.303128 BFGS: 329 15:54:57 -800.840756 112.659601 BFGS: 330 15:54:58 -802.227461 114.067863 BFGS: 331 15:54:58 -803.631014 115.448190 BFGS: 332 15:54:59 -805.050743 116.894269 BFGS: 333 15:54:59 -806.490684 118.307739 BFGS: 334 15:55:00 -807.951419 119.786591 BFGS: 335 15:55:00 -809.423051 121.233405 BFGS: 336 15:55:01 -810.906618 122.724743 BFGS: 337 15:55:01 -812.401035 124.191682 BFGS: 338 15:55:02 -813.911966 125.688217 BFGS: 339 15:55:02 -815.438969 127.161115 BFGS: 340 15:55:03 -816.986637 128.657985 BFGS: 341 15:55:03 -818.555295 130.129238 BFGS: 342 15:55:04 -820.150509 131.618698 BFGS: 343 15:55:04 -821.767155 133.068057 BFGS: 344 15:55:05 -823.414422 134.523322 BFGS: 345 15:55:05 -825.029945 135.859998 BFGS: 346 15:55:06 -826.621994 137.144183 BFGS: 347 15:55:07 -828.189146 138.268223 BFGS: 348 15:55:07 -829.758802 139.347796 BFGS: 349 15:55:08 -831.345428 140.218464 BFGS: 350 15:55:08 -832.980965 141.027265 BFGS: 351 15:55:09 -834.691791 141.510940 BFGS: 352 15:55:10 -836.516859 141.958972 BFGS: 353 15:55:11 -838.489761 141.915400 BFGS: 354 15:55:12 -840.636032 141.938837 BFGS: 355 15:55:12 -842.993718 141.353672 BFGS: 356 15:55:13 -845.560584 140.886006 BFGS: 357 15:55:13 -848.387108 139.895465 BFGS: 358 15:55:14 -851.447886 138.894382 BFGS: 359 15:55:15 -854.790890 137.580284 BFGS: 360 15:55:15 -858.371989 136.139617 BFGS: 361 15:55:16 -862.082663 134.607994 BFGS: 362 15:55:17 -865.799109 133.024994 BFGS: 363 15:55:17 -869.486281 131.494251 BFGS: 364 15:55:18 -873.208997 129.923116 BFGS: 365 15:55:18 -876.934985 128.410522 BFGS: 366 15:55:19 -880.700495 126.878055 BFGS: 367 15:55:19 -884.482465 125.399816 BFGS: 368 15:55:20 -888.299239 123.907169 BFGS: 369 15:55:21 -892.136675 122.463024 BFGS: 370 15:55:21 -896.002451 121.007930 BFGS: 371 15:55:22 -899.893033 119.600205 BFGS: 372 15:55:23 -903.803311 118.175218 BFGS: 373 15:55:24 -907.733078 116.804080 BFGS: 374 15:55:25 -911.675752 115.406161 BFGS: 375 15:55:26 -915.633875 114.068286 BFGS: 376 15:55:27 -919.593998 112.690189 BFGS: 377 15:55:28 -923.567484 111.381592 BFGS: 378 15:55:29 -927.532315 110.019920 BFGS: 379 15:55:30 -931.501082 108.735721 BFGS: 380 15:55:30 -935.458351 107.399821 BFGS: 381 15:55:31 -939.411891 106.131080 BFGS: 382 15:55:32 -943.346810 104.816980 BFGS: 383 15:55:33 -947.268034 103.561872 BFGS: 384 15:55:34 -951.165568 102.273853 BFGS: 385 15:55:35 -955.039583 101.030255 BFGS: 386 15:55:35 -958.885610 99.771291 BFGS: 387 15:55:36 -962.698652 98.543976 BFGS: 388 15:55:37 -966.478004 97.305533 BFGS: 389 15:55:38 -970.218987 96.096891 BFGS: 390 15:55:38 -973.919491 94.888072 BFGS: 391 15:55:39 -977.553544 93.702984 BFGS: 392 15:55:40 -981.104404 92.534079 BFGS: 393 15:55:41 -984.570820 91.388168 BFGS: 394 15:55:42 -987.964148 90.260061 BFGS: 395 15:55:43 -991.283437 89.147918 BFGS: 396 15:55:43 -994.533750 88.050547 BFGS: 397 15:55:44 -997.719397 86.968733 BFGS: 398 15:55:44 -1000.844792 85.895540 BFGS: 399 15:55:44 -1003.912293 84.832562 BFGS: 400 15:55:44 -1006.925008 83.776244 BFGS: 401 15:55:44 -1009.883993 82.728366 BFGS: 402 15:55:44 -1012.792404 81.686331 BFGS: 403 15:55:44 -1015.650526 80.649664 BFGS: 404 15:55:44 -1018.460507 79.615492 BFGS: 405 15:55:44 -1021.226286 78.581334 BFGS: 406 15:55:45 -1023.954788 77.544307 BFGS: 407 15:55:45 -1026.643278 76.505639 BFGS: 408 15:55:45 -1029.298988 75.462804 BFGS: 409 15:55:45 -1031.921584 74.417523 BFGS: 410 15:55:45 -1034.515235 73.363332 BFGS: 411 15:55:45 -1037.082079 72.301504 BFGS: 412 15:55:45 -1039.627679 71.229681 BFGS: 413 15:55:45 -1042.151029 70.148895 BFGS: 414 15:55:45 -1044.655774 69.057945 BFGS: 415 15:55:45 -1047.145972 67.956085 BFGS: 416 15:55:45 -1049.622766 66.844214 BFGS: 417 15:55:46 -1052.090747 65.719532 BFGS: 418 15:55:46 -1054.551209 64.586422 BFGS: 419 15:55:46 -1057.010696 63.440616 BFGS: 420 15:55:46 -1059.469874 62.281806 BFGS: 421 15:55:46 -1061.930228 61.111758 BFGS: 422 15:55:46 -1064.400124 59.930102 BFGS: 423 15:55:46 -1066.885235 58.738173 BFGS: 424 15:55:46 -1069.392738 57.531615 BFGS: 425 15:55:46 -1071.937239 56.310764 BFGS: 426 15:55:46 -1074.528886 55.069801 BFGS: 427 15:55:46 -1077.142271 53.819271 BFGS: 428 15:55:46 -1079.783855 52.552428 BFGS: 429 15:55:47 -1082.418039 51.268604 BFGS: 430 15:55:47 -1084.970683 49.978738 BFGS: 431 15:55:47 -1087.462405 48.666658 BFGS: 432 15:55:47 -1089.902648 47.352027 BFGS: 433 15:55:47 -1092.307577 46.037503 BFGS: 434 15:55:47 -1094.680735 44.726241 BFGS: 435 15:55:47 -1096.999027 43.439916 BFGS: 436 15:55:47 -1099.245726 42.182573 BFGS: 437 15:55:47 -1101.425475 40.952795 BFGS: 438 15:55:47 -1103.549601 39.729301 BFGS: 439 15:55:48 -1105.606090 38.516410 BFGS: 440 15:55:48 -1107.574799 37.316021 BFGS: 441 15:55:48 -1109.453012 36.121273 BFGS: 442 15:55:48 -1111.242475 34.925292 BFGS: 443 15:55:48 -1112.946838 33.725138 BFGS: 444 15:55:48 -1114.569605 32.508406 BFGS: 445 15:55:48 -1116.116206 31.272420 BFGS: 446 15:55:48 -1117.591337 30.006492 BFGS: 447 15:55:49 -1118.997839 28.707138 BFGS: 448 15:55:50 -1120.338345 27.370949 BFGS: 449 15:55:50 -1121.614881 25.998227 BFGS: 450 15:55:51 -1122.831247 24.588495 BFGS: 451 15:55:52 -1123.987905 23.153267 BFGS: 452 15:55:52 -1125.063311 22.826405 BFGS: 453 15:55:53 -1126.074600 22.666362 BFGS: 454 15:55:54 -1127.043920 22.450029 BFGS: 455 15:55:55 -1127.995515 22.183190 BFGS: 456 15:55:56 -1128.959759 21.883222 BFGS: 457 15:55:57 -1129.964316 21.570873 BFGS: 458 15:55:57 -1131.034485 21.272237 BFGS: 459 15:55:58 -1132.201995 21.021047 BFGS: 460 15:55:58 -1133.525204 20.840504 BFGS: 461 15:55:59 -1135.130685 20.674413 BFGS: 462 15:56:00 -1136.541289 20.963938 BFGS: 463 15:56:01 -1138.207029 20.938994 BFGS: 464 15:56:01 -1140.364231 21.246708 BFGS: 465 15:56:02 -1142.938189 21.559279 BFGS: 466 15:56:02 -1146.147212 22.060222 BFGS: 467 15:56:03 -1149.938436 22.661251 BFGS: 468 15:56:05 -1154.229926 23.364535 BFGS: 469 15:56:05 -1158.806913 24.124892 BFGS: 470 15:56:06 -1163.368497 24.878541 BFGS: 471 15:56:06 -1167.403863 25.464579 BFGS: 472 15:56:06 -1170.903746 25.889363 BFGS: 473 15:56:07 -1173.880092 26.110842 BFGS: 474 15:56:08 -1176.380538 26.115833 BFGS: 475 15:56:08 -1178.517624 25.941502 BFGS: 476 15:56:09 -1180.408287 25.641603 BFGS: 477 15:56:10 -1182.147551 25.260994 BFGS: 478 15:56:10 -1183.794393 24.829699 BFGS: 479 15:56:11 -1185.384241 24.372123 BFGS: 480 15:56:12 -1186.927228 23.886022 BFGS: 481 15:56:13 -1188.425166 23.381812 BFGS: 482 15:56:13 -1189.880931 22.870842 BFGS: 483 15:56:14 -1191.278790 22.333271 BFGS: 484 15:56:15 -1192.617234 21.795293 BFGS: 485 15:56:15 -1193.881910 21.232499 BFGS: 486 15:56:16 -1195.073044 20.682130 BFGS: 487 15:56:16 -1196.178351 20.121318 BFGS: 488 15:56:17 -1197.200093 19.582645 BFGS: 489 15:56:18 -1198.135299 19.045290 BFGS: 490 15:56:18 -1198.991723 18.554365 BFGS: 491 15:56:19 -1199.772836 18.083829 BFGS: 492 15:56:19 -1200.491658 17.679670 BFGS: 493 15:56:20 -1201.159010 17.306313 BFGS: 494 15:56:20 -1201.786426 16.990552 BFGS: 495 15:56:21 -1202.384342 16.699601 BFGS: 496 15:56:21 -1202.959793 16.455912 BFGS: 497 15:56:22 -1203.519845 16.223799 BFGS: 498 15:56:23 -1204.067323 16.023432 BFGS: 499 15:56:23 -1204.606653 15.821465 BFGS: 500 15:56:23 -1205.137851 15.645527 BFGS: 501 15:56:24 -1205.663940 15.457775 BFGS: 502 15:56:24 -1206.183792 15.286719 BFGS: 503 15:56:25 -1206.699290 15.096902 BFGS: 504 15:56:25 -1207.208628 14.925898 BFGS: 505 15:56:26 -1207.713683 14.729702 BFGS: 506 15:56:27 -1208.211776 14.547291 BFGS: 507 15:56:28 -1208.704302 14.338207 BFGS: 508 15:56:29 -1209.188491 14.432549 BFGS: 509 15:56:29 -1209.665811 14.624076 BFGS: 510 15:56:30 -1210.132882 14.792308 BFGS: 511 15:56:30 -1210.591907 14.951304 BFGS: 512 15:56:31 -1211.039204 15.092821 BFGS: 513 15:56:32 -1211.477346 15.221744 BFGS: 514 15:56:32 -1211.902870 15.334531 BFGS: 515 15:56:33 -1212.318821 15.437590 BFGS: 516 15:56:34 -1212.721701 15.522414 BFGS: 517 15:56:34 -1213.115390 15.609194 BFGS: 518 15:56:35 -1213.496956 15.673951 BFGS: 519 15:56:35 -1213.870584 15.736813 BFGS: 520 15:56:36 -1214.233420 15.799105 BFGS: 521 15:56:37 -1214.589998 15.848672 BFGS: 522 15:56:38 -1214.937972 15.891019 BFGS: 523 15:56:38 -1215.281757 15.933708 BFGS: 524 15:56:39 -1215.619102 15.968624 BFGS: 525 15:56:39 -1215.953704 16.004340 BFGS: 526 15:56:41 -1216.283700 16.029475 BFGS: 527 15:56:42 -1216.612364 16.059213 BFGS: 528 15:56:42 -1216.937828 16.081202 BFGS: 529 15:56:43 -1217.263172 16.108808 BFGS: 530 15:56:43 -1217.585981 16.127963 BFGS: 531 15:56:44 -1217.909537 16.151019 BFGS: 532 15:56:45 -1218.231277 16.166301 BFGS: 533 15:56:45 -1218.553803 16.179970 BFGS: 534 15:56:46 -1218.875065 16.189085 BFGS: 535 15:56:46 -1219.196561 16.197686 BFGS: 536 15:56:47 -1219.517143 16.203983 BFGS: 537 15:56:47 -1219.838513 16.207633 BFGS: 538 15:56:48 -1220.159172 16.208577 BFGS: 539 15:56:49 -1220.480797 16.213940 BFGS: 540 15:56:49 -1220.801477 16.207916 BFGS: 541 15:56:50 -1221.123530 16.204744 BFGS: 542 15:56:51 -1221.445764 16.200493 BFGS: 543 15:56:51 -1221.769412 16.185657 BFGS: 544 15:56:52 -1222.093340 16.169012 BFGS: 545 15:56:53 -1222.419008 16.155709 BFGS: 546 15:56:54 -1222.745065 16.133412 BFGS: 547 15:56:54 -1223.073021 16.107300 BFGS: 548 15:56:55 -1223.402544 16.083124 BFGS: 549 15:56:56 -1223.734264 16.067789 BFGS: 550 15:56:56 -1224.067535 16.039035 BFGS: 551 15:56:57 -1224.402853 16.004402 BFGS: 552 15:56:57 -1224.739995 15.971144 BFGS: 553 15:56:58 -1225.080435 15.944701 BFGS: 554 15:56:59 -1225.422150 15.901697 BFGS: 555 15:57:00 -1225.766550 15.865958 BFGS: 556 15:57:01 -1226.112601 15.827161 BFGS: 557 15:57:02 -1226.462956 15.782194 BFGS: 558 15:57:03 -1226.817245 15.740818 BFGS: 559 15:57:03 -1227.179649 15.694910 BFGS: 560 15:57:04 -1227.549450 15.648031 BFGS: 561 15:57:05 -1227.930525 15.601583 BFGS: 562 15:57:05 -1228.322522 15.554692 BFGS: 563 15:57:06 -1228.729643 15.508748 BFGS: 564 15:57:07 -1229.151032 15.462807 BFGS: 565 15:57:07 -1229.591492 15.418396 BFGS: 566 15:57:07 -1230.047119 15.380749 BFGS: 567 15:57:08 -1230.526209 15.340584 BFGS: 568 15:57:08 -1230.997621 15.301271 BFGS: 569 15:57:09 -1231.536920 15.260536 BFGS: 570 15:57:09 -1232.045064 15.241409 BFGS: 571 15:57:10 -1232.569126 15.219072 BFGS: 572 15:57:10 -1233.107237 15.191205 BFGS: 573 15:57:11 -1233.659854 15.163227 BFGS: 574 15:57:11 -1234.227303 15.143465 BFGS: 575 15:57:12 -1234.810745 15.138420 BFGS: 576 15:57:13 -1235.410790 15.123620 BFGS: 577 15:57:13 -1236.027289 15.111253 BFGS: 578 15:57:14 -1236.659871 15.098715 BFGS: 579 15:57:15 -1237.308526 15.092883 BFGS: 580 15:57:15 -1237.973273 15.080257 BFGS: 581 15:57:16 -1238.654024 15.070098 BFGS: 582 15:57:16 -1239.350819 15.065043 BFGS: 583 15:57:17 -1240.063613 15.058772 BFGS: 584 15:57:17 -1240.792515 15.054208 BFGS: 585 15:57:18 -1241.537554 15.057647 BFGS: 586 15:57:19 -1242.298486 15.061091 BFGS: 587 15:57:19 -1243.076518 15.072255 BFGS: 588 15:57:20 -1243.870718 15.079837 BFGS: 589 15:57:21 -1244.681656 15.089061 BFGS: 590 15:57:22 -1245.508667 15.104695 BFGS: 591 15:57:23 -1246.352116 15.119746 BFGS: 592 15:57:24 -1247.211829 15.135493 BFGS: 593 15:57:25 -1248.087367 15.152398 BFGS: 594 15:57:26 -1248.979461 15.169475 BFGS: 595 15:57:26 -1249.886911 15.182838 BFGS: 596 15:57:27 -1250.810032 15.201711 BFGS: 597 15:57:27 -1251.748994 15.220772 BFGS: 598 15:57:28 -1252.703150 15.236625 BFGS: 599 15:57:28 -1253.672694 15.260391 BFGS: 600 15:57:29 -1254.657351 15.277702 BFGS: 601 15:57:30 -1255.657472 15.305763 BFGS: 602 15:57:31 -1256.672942 15.335357 BFGS: 603 15:57:31 -1257.703811 15.354058 BFGS: 604 15:57:32 -1258.749108 15.373288 BFGS: 605 15:57:33 -1259.808960 15.396616 BFGS: 606 15:57:34 -1260.883431 15.422591 BFGS: 607 15:57:35 -1261.972276 15.442112 BFGS: 608 15:57:35 -1263.075458 15.461568 BFGS: 609 15:57:36 -1264.192729 15.485033 BFGS: 610 15:57:36 -1265.324241 15.519294 BFGS: 611 15:57:37 -1266.469641 15.540573 BFGS: 612 15:57:38 -1267.628833 15.563800 BFGS: 613 15:57:38 -1268.802037 15.587253 BFGS: 614 15:57:39 -1269.988502 15.603336 BFGS: 615 15:57:39 -1271.187944 15.618131 BFGS: 616 15:57:40 -1272.400416 15.637569 BFGS: 617 15:57:40 -1273.625917 15.651915 BFGS: 618 15:57:41 -1274.863942 15.662680 BFGS: 619 15:57:41 -1276.114427 15.679272 BFGS: 620 15:57:41 -1277.376846 15.686232 BFGS: 621 15:57:42 -1278.651645 15.700938 BFGS: 622 15:57:42 -1279.937963 15.703350 BFGS: 623 15:57:43 -1281.236188 15.711123 BFGS: 624 15:57:43 -1282.545589 15.712564 BFGS: 625 15:57:44 -1283.865580 15.707720 BFGS: 626 15:57:44 -1285.195879 15.699722 BFGS: 627 15:57:45 -1286.536492 15.695541 BFGS: 628 15:57:46 -1287.887178 15.693289 BFGS: 629 15:57:46 -1289.247276 15.674967 BFGS: 630 15:57:47 -1290.617062 15.658138 BFGS: 631 15:57:47 -1291.995467 15.631883 BFGS: 632 15:57:48 -1293.382075 15.608545 BFGS: 633 15:57:48 -1294.776696 15.573079 BFGS: 634 15:57:49 -1296.178992 15.538267 BFGS: 635 15:57:49 -1297.588930 15.492481 BFGS: 636 15:57:50 -1299.005096 15.447653 BFGS: 637 15:57:50 -1300.427382 15.391099 BFGS: 638 15:57:51 -1301.855144 15.332692 BFGS: 639 15:57:52 -1303.287681 15.263216 BFGS: 640 15:57:53 -1304.725043 15.197769 BFGS: 641 15:57:53 -1306.166099 15.122288 BFGS: 642 15:57:54 -1307.610025 15.041163 BFGS: 643 15:57:54 -1309.057190 14.948546 BFGS: 644 15:57:55 -1310.510329 14.850594 BFGS: 645 15:57:55 -1311.967539 14.768650 BFGS: 646 15:57:56 -1313.427357 14.658045 BFGS: 647 15:57:56 -1314.888752 14.544349 BFGS: 648 15:57:57 -1316.350865 14.423150 BFGS: 649 15:57:57 -1317.812927 14.293744 BFGS: 650 15:57:57 -1319.274615 14.149183 BFGS: 651 15:57:57 -1320.733913 13.991702 BFGS: 652 15:57:58 -1322.192254 13.846480 BFGS: 653 15:57:58 -1323.645793 13.667239 BFGS: 654 15:57:59 -1325.095783 13.480590 BFGS: 655 15:57:59 -1326.539669 13.279504 BFGS: 656 15:57:59 -1327.978877 13.085432 BFGS: 657 15:58:01 -1329.410243 12.865816 BFGS: 658 15:58:01 -1330.834815 12.644743 BFGS: 659 15:58:02 -1332.250233 12.390843 BFGS: 660 15:58:03 -1333.650874 12.270320 BFGS: 661 15:58:04 -1335.032495 12.326734 BFGS: 662 15:58:05 -1336.392169 12.418268 BFGS: 663 15:58:06 -1337.730734 12.479762 BFGS: 664 15:58:06 -1339.045583 12.570416 BFGS: 665 15:58:07 -1340.338330 12.630918 BFGS: 666 15:58:07 -1341.607789 12.723606 BFGS: 667 15:58:08 -1342.855654 12.793918 BFGS: 668 15:58:08 -1344.078152 12.893166 BFGS: 669 15:58:09 -1345.275419 12.962008 BFGS: 670 15:58:09 -1346.446774 13.059403 BFGS: 671 15:58:10 -1347.592317 13.129103 BFGS: 672 15:58:10 -1348.710508 13.226765 BFGS: 673 15:58:11 -1349.801693 13.299172 BFGS: 674 15:58:12 -1350.865177 13.396144 BFGS: 675 15:58:13 -1351.901843 13.463210 BFGS: 676 15:58:13 -1352.910770 13.552776 BFGS: 677 15:58:14 -1353.893160 13.614410 BFGS: 678 15:58:14 -1354.844627 13.703693 BFGS: 679 15:58:15 -1355.767835 13.763812 BFGS: 680 15:58:15 -1356.660558 13.845060 BFGS: 681 15:58:16 -1357.522680 13.891249 BFGS: 682 15:58:16 -1358.354351 13.969629 BFGS: 683 15:58:17 -1359.155061 14.004625 BFGS: 684 15:58:17 -1359.924036 14.072092 BFGS: 685 15:58:17 -1360.661277 14.087379 BFGS: 686 15:58:17 -1361.366158 14.143500 BFGS: 687 15:58:18 -1362.038236 14.147383 BFGS: 688 15:58:18 -1362.677710 14.186176 BFGS: 689 15:58:19 -1363.283698 14.157978 BFGS: 690 15:58:20 -1363.856681 14.184231 BFGS: 691 15:58:21 -1364.396288 14.122898 BFGS: 692 15:58:22 -1364.903550 14.130298 BFGS: 693 15:58:23 -1365.377258 14.032828 BFGS: 694 15:58:23 -1365.819452 14.027177 BFGS: 695 15:58:24 -1366.229054 13.875331 BFGS: 696 15:58:24 -1366.609039 13.853839 BFGS: 697 15:58:25 -1366.958614 13.656377 BFGS: 698 15:58:26 -1367.281727 13.602259 BFGS: 699 15:58:26 -1367.578644 13.363653 BFGS: 700 15:58:27 -1367.853466 13.265065 BFGS: 701 15:58:28 -1368.107894 12.993475 BFGS: 702 15:58:28 -1368.346844 12.831286 BFGS: 703 15:58:29 -1368.572420 12.524318 BFGS: 704 15:58:30 -1368.789327 12.290203 BFGS: 705 15:58:30 -1369.000771 11.945332 BFGS: 706 15:58:31 -1369.210893 11.643883 BFGS: 707 15:58:31 -1369.422133 11.253857 BFGS: 708 15:58:32 -1369.637102 11.382464 BFGS: 709 15:58:32 -1369.857637 11.480107 BFGS: 710 15:58:33 -1370.083362 11.492143 BFGS: 711 15:58:34 -1370.315149 11.428183 BFGS: 712 15:58:34 -1370.535322 11.286013 BFGS: 713 15:58:35 -1370.744446 11.091649 BFGS: 714 15:58:36 -1370.945471 10.837830 BFGS: 715 15:58:36 -1371.137339 10.559106 BFGS: 716 15:58:37 -1371.322573 10.228692 BFGS: 717 15:58:38 -1371.499153 9.889547 BFGS: 718 15:58:39 -1371.669648 9.508918 BFGS: 719 15:58:39 -1371.831254 9.135872 BFGS: 720 15:58:40 -1371.987192 8.729449 BFGS: 721 15:58:41 -1372.134372 8.355170 BFGS: 722 15:58:42 -1372.275927 8.215041 BFGS: 723 15:58:43 -1372.409482 8.064464 BFGS: 724 15:58:43 -1372.537670 7.910817 BFGS: 725 15:58:44 -1372.658797 7.746077 BFGS: 726 15:58:45 -1372.775050 7.581739 BFGS: 727 15:58:46 -1372.885386 7.411056 BFGS: 728 15:58:46 -1372.991564 7.237621 BFGS: 729 15:58:47 -1373.093191 7.060104 BFGS: 730 15:58:48 -1373.191407 6.880469 BFGS: 731 15:58:49 -1373.286273 6.697257 BFGS: 732 15:58:50 -1373.378683 6.512541 BFGS: 733 15:58:50 -1373.469014 6.324999 BFGS: 734 15:58:51 -1373.558068 6.137580 BFGS: 735 15:58:52 -1373.646181 5.948475 BFGS: 736 15:58:53 -1373.734026 5.760459 BFGS: 737 15:58:54 -1373.821988 5.570016 BFGS: 738 15:58:55 -1373.910564 5.381188 BFGS: 739 15:58:55 -1374.000108 5.192231 BFGS: 740 15:58:56 -1374.091017 5.004503 BFGS: 741 15:58:57 -1374.183488 4.817683 BFGS: 742 15:58:57 -1374.277766 4.632684 BFGS: 743 15:58:58 -1374.373937 4.449522 BFGS: 744 15:58:58 -1374.472086 4.268863 BFGS: 745 15:58:59 -1374.572185 4.090878 BFGS: 746 15:58:59 -1374.674107 3.916151 BFGS: 747 15:59:00 -1374.777686 3.744793 BFGS: 748 15:59:01 -1374.882546 3.577368 BFGS: 749 15:59:01 -1374.988416 3.413670 BFGS: 750 15:59:02 -1375.094713 3.253294 BFGS: 751 15:59:02 -1375.200890 3.096170 BFGS: 752 15:59:03 -1375.305789 2.945066 BFGS: 753 15:59:03 -1375.408824 2.834396 BFGS: 754 15:59:04 -1375.508681 2.803180 BFGS: 755 15:59:05 -1375.603427 2.762068 BFGS: 756 15:59:05 -1375.691362 2.694806 BFGS: 757 15:59:06 -1375.770761 2.621329 BFGS: 758 15:59:06 -1375.837546 2.543585 BFGS: 759 15:59:08 -1375.879693 2.479487 BFGS: 760 15:59:08 -1375.932047 2.440371 BFGS: 761 15:59:09 -1375.993378 2.374276 BFGS: 762 15:59:09 -1376.040140 2.296881 BFGS: 763 15:59:10 -1376.083156 2.140038 BFGS: 764 15:59:10 -1376.121948 1.960668 BFGS: 765 15:59:11 -1376.170980 1.701101 BFGS: 766 15:59:12 -1376.218029 1.550737 BFGS: 767 15:59:12 -1376.253194 1.444447 BFGS: 768 15:59:13 -1376.280437 1.393832 BFGS: 769 15:59:14 -1376.298442 1.333791 BFGS: 770 15:59:14 -1376.304592 1.334722 BFGS: 771 15:59:15 -1376.309487 1.327014 BFGS: 772 15:59:16 -1376.316261 1.334017 BFGS: 773 15:59:17 -1376.320311 1.323278 BFGS: 774 15:59:18 -1376.322878 1.292326 BFGS: 775 15:59:18 -1376.325307 1.262053 BFGS: 776 15:59:20 -1376.329320 1.333621 BFGS: 777 15:59:20 -1376.335455 1.413151 BFGS: 778 15:59:21 -1376.343919 1.472311 BFGS: 779 15:59:21 -1376.353875 1.485360 BFGS: 780 15:59:22 -1376.365022 1.455213 BFGS: 781 15:59:23 -1376.376207 1.386344 BFGS: 782 15:59:23 -1376.386869 1.324978 BFGS: 783 15:59:24 -1376.396907 1.369252 BFGS: 784 15:59:25 -1376.407478 1.310928 BFGS: 785 15:59:25 -1376.419909 1.312916 BFGS: 786 15:59:26 -1376.435020 1.260159 BFGS: 787 15:59:26 -1376.452584 1.198363 BFGS: 788 15:59:27 -1376.472261 1.109909 BFGS: 789 15:59:27 -1376.493529 1.001137 BFGS: 790 15:59:28 -1376.515716 0.871367 BFGS: 791 15:59:29 -1376.537834 0.926892 BFGS: 792 15:59:29 -1376.558658 0.996292 BFGS: 793 15:59:30 -1376.576086 1.032079 BFGS: 794 15:59:31 -1376.584054 0.993805 BFGS: 795 15:59:31 -1376.586382 0.934772 BFGS: 796 15:59:32 -1376.589297 0.829206 BFGS: 797 15:59:32 -1376.590379 0.804966 BFGS: 798 15:59:32 -1376.592440 0.794519 BFGS: 799 15:59:33 -1376.595981 0.813552 BFGS: 800 15:59:33 -1376.603169 0.877245 BFGS: 801 15:59:33 -1376.614006 0.958959 BFGS: 802 15:59:34 -1376.624262 0.992192 BFGS: 803 15:59:34 -1376.635329 0.987848 BFGS: 804 15:59:35 -1376.646971 0.942147 BFGS: 805 15:59:36 -1376.658214 0.857370 BFGS: 806 15:59:37 -1376.665231 0.891000 BFGS: 807 15:59:37 -1376.667809 0.870498 BFGS: 808 15:59:37 -1376.670666 0.788572 BFGS: 809 15:59:37 -1376.671954 0.715165 BFGS: 810 15:59:37 -1376.673776 0.634099 BFGS: 811 15:59:37 -1376.676614 0.580744 BFGS: 812 15:59:37 -1376.681571 0.588730 BFGS: 813 15:59:37 -1376.689301 0.601116 BFGS: 814 15:59:38 -1376.697876 0.587774 BFGS: 815 15:59:38 -1376.708059 0.563373 BFGS: 816 15:59:38 -1376.719086 0.520310 BFGS: 817 15:59:38 -1376.729972 0.455398 BFGS: 818 15:59:38 -1376.740190 0.403156 BFGS: 819 15:59:38 -1376.749082 0.327648 BFGS: 820 15:59:38 -1376.755539 0.240130 BFGS: 821 15:59:38 -1376.759977 0.146219 BFGS: 822 15:59:39 -1376.762352 0.061634 BFGS: 823 15:59:39 -1376.763023 0.068001 BFGS: 824 15:59:40 -1376.763117 0.060469 BFGS: 825 15:59:40 -1376.763286 0.021593 BFGS: 826 15:59:41 -1376.763310 0.008627 BFGS: 827 15:59:42 -1376.763314 0.002775 BFGS: 828 15:59:43 -1376.763314 0.000830 BFGS: 829 15:59:43 -1376.763314 0.000336 BFGS: 830 15:59:44 -1376.763314 0.000186 BFGS: 831 15:59:45 -1376.763314 0.000079 BFGS: 832 15:59:46 -1376.763314 0.000014 BFGS: 833 15:59:46 -1376.763314 0.000006 BFGS: 834 15:59:47 -1376.763314 0.000002 BFGS: 835 15:59:48 -1376.763314 0.000001 BFGS: 836 15:59:48 -1376.763314 0.000000 BFGS: 837 15:59:49 -1376.763314 0.000000 BFGS: 838 15:59:50 -1376.763314 0.000000 BFGS: 839 15:59:51 -1376.763314 0.000000 BFGS: 840 15:59:52 -1376.763314 0.000000 Minimization converged after 840 steps. Maximum force component: 6.987979070266692e-09 eV/Angstrom Maximum stress component: 4.675348778274678e-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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[3.11991928e-31 0.00000000e+00 0.00000000e+00] [1.87993114e-16 6.27287868e-33 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [9.14891373e-17 4.84044409e-01 2.50000000e-01] [5.00000000e-01 9.84044409e-01 2.50000000e-01] [1.00000000e+00 5.15955591e-01 7.50000000e-01] [5.00000000e-01 1.59555911e-02 7.50000000e-01] [1.69960056e-01 4.80100368e-02 9.19960056e-01] [8.30039944e-01 4.80100368e-02 5.80039944e-01] [6.69960056e-01 5.48010037e-01 9.19960056e-01] [3.30039944e-01 5.48010037e-01 5.80039944e-01] [8.30039944e-01 9.51989963e-01 8.00399438e-02] [1.69960056e-01 9.51989963e-01 4.19960056e-01] [3.30039944e-01 4.51989963e-01 8.00399438e-02] [6.69960056e-01 4.51989963e-01 4.19960056e-01] [1.76229186e-01 7.70031811e-02 4.26229186e-01] [8.23770814e-01 7.70031811e-02 7.37708143e-02] [6.76229186e-01 5.77003181e-01 4.26229186e-01] [3.23770814e-01 5.77003181e-01 7.37708143e-02] [8.23770814e-01 9.22996819e-01 5.73770814e-01] [1.76229186e-01 9.22996819e-01 9.26229186e-01] [3.23770814e-01 4.22996819e-01 5.73770814e-01] [6.76229186e-01 4.22996819e-01 9.26229186e-01] [3.27301619e-01 1.94892550e-01 5.77301619e-01] [6.72698381e-01 1.94892550e-01 9.22698381e-01] [8.27301619e-01 6.94892550e-01 5.77301619e-01] [1.72698381e-01 6.94892550e-01 9.22698381e-01] [6.72698381e-01 8.05107450e-01 4.22698381e-01] [3.27301619e-01 8.05107450e-01 7.73016194e-02] [1.72698381e-01 3.05107450e-01 4.22698381e-01] [8.27301619e-01 3.05107450e-01 7.73016194e-02] [3.84053151e-12 1.85149180e-01 9.84918987e-01] [1.00000000e+00 1.85149180e-01 5.15081013e-01] [5.00000000e-01 6.85149180e-01 9.84918987e-01] [5.00000000e-01 6.85149180e-01 5.15081013e-01] [1.00000000e+00 8.14850820e-01 1.50810129e-02] [3.84077029e-12 8.14850820e-01 4.84918987e-01] [5.00000000e-01 3.14850820e-01 1.50810129e-02] [5.00000000e-01 3.14850820e-01 4.84918987e-01] [5.00000000e-01 1.09632836e-01 4.69791638e-01] [5.00000000e-01 1.09632836e-01 3.02083619e-02] [4.41670705e-12 6.09632836e-01 4.69791638e-01] [1.00000000e+00 6.09632836e-01 3.02083619e-02] [5.00000000e-01 8.90367164e-01 5.30208362e-01] [5.00000000e-01 8.90367164e-01 9.69791638e-01] [1.00000000e+00 3.90367164e-01 5.30208362e-01] [4.41535934e-12 3.90367164e-01 9.69791638e-01]] cellpar = Cell([[5.905657945832952, -3.1709192574140526e-18, 0.16491090563338925], [3.059215509626084e-17, 10.131821671003015, 2.0589075099803908e-17], [-3.649849612024847, 6.848913888335278e-18, 2.788112448120361]]) forces = [[-1.39762280e-29 7.50424271e-48 -3.90275299e-31] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 1.63055994e-29 -3.99629901e-30 4.55321182e-31] [ 9.31748535e-30 -5.00282847e-48 2.60183533e-31] [-2.05513708e-26 -6.74538389e-09 -1.35666642e-26] [-2.04592357e-26 -6.74538389e-09 -1.36370461e-26] [ 2.04871881e-26 6.74538389e-09 1.36378266e-26] [ 2.05606883e-26 6.74538389e-09 1.35669244e-26] [ 2.55997701e-09 4.73461734e-09 4.37300164e-09] [-2.55997701e-09 4.73461734e-09 -4.37300164e-09] [ 2.55997701e-09 4.73461734e-09 4.37300164e-09] [-2.55997701e-09 4.73461734e-09 -4.37300164e-09] [-2.55997701e-09 -4.73461734e-09 -4.37300164e-09] [ 2.55997701e-09 -4.73461734e-09 4.37300164e-09] [-2.55997701e-09 -4.73461734e-09 -4.37300164e-09] [ 2.55997701e-09 -4.73461734e-09 4.37300164e-09] [ 6.60687441e-10 3.40383129e-09 3.01712975e-09] [-6.60687441e-10 3.40383129e-09 -3.01712975e-09] [ 6.60687441e-10 3.40383129e-09 3.01712975e-09] [-6.60687441e-10 3.40383129e-09 -3.01712975e-09] [-6.60687441e-10 -3.40383129e-09 -3.01712975e-09] [ 6.60687441e-10 -3.40383129e-09 3.01712975e-09] [-6.60687441e-10 -3.40383129e-09 -3.01712975e-09] [ 6.60687441e-10 -3.40383129e-09 3.01712975e-09] [-6.98797907e-09 5.94778266e-09 -6.86764585e-09] [ 6.98797907e-09 5.94778266e-09 6.86764585e-09] [-6.98797907e-09 5.94778266e-09 -6.86764585e-09] [ 6.98797907e-09 5.94778266e-09 6.86764585e-09] [ 6.98797907e-09 -5.94778266e-09 6.86764585e-09] [-6.98797907e-09 -5.94778266e-09 -6.86764585e-09] [ 6.98797907e-09 -5.94778266e-09 6.86764585e-09] [-6.98797907e-09 -5.94778266e-09 -6.86764585e-09] [-1.15529604e-09 3.14803952e-09 5.61905380e-10] [ 1.15529604e-09 3.14803952e-09 -5.61905380e-10] [-1.15529604e-09 3.14803952e-09 5.61905380e-10] [ 1.15529604e-09 3.14803952e-09 -5.61905380e-10] [ 1.15529604e-09 -3.14803952e-09 -5.61905380e-10] [-1.15529604e-09 -3.14803952e-09 5.61905380e-10] [ 1.15529604e-09 -3.14803952e-09 -5.61905380e-10] [-1.15529604e-09 -3.14803952e-09 5.61905380e-10] [ 2.25465137e-09 4.95358855e-09 -1.75979250e-10] [-2.25465137e-09 4.95358855e-09 1.75979250e-10] [ 2.25465137e-09 4.95358855e-09 -1.75979250e-10] [-2.25465137e-09 4.95358855e-09 1.75979250e-10] [-2.25465137e-09 -4.95358855e-09 1.75979250e-10] [ 2.25465137e-09 -4.95358855e-09 -1.75979250e-10] [-2.25465137e-09 -4.95358855e-09 1.75979250e-10] [ 2.25465137e-09 -4.95358855e-09 -1.75979250e-10]] stress = [ 2.99195658e-10 2.38063533e-10 4.67534878e-10 2.10363180e-27 -2.47715548e-10 7.94473219e-28] energy per atom = -28.6825690436395 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A2B_mC48_15_ae3f_2f, while relaxed is A2B_oI48_74_ae3i_2h. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.