element(s): ['O', 'Si'] AFLOW prototype label: A2B_oC72_63_def3g_2c2g Parameter names: ['a', 'b/a', 'c/a', 'y1', 'y2', 'x4', 'y5', 'z5', 'x6', 'y6', 'x7', 'y7', 'x8', 'y8', 'x9', 'y9', 'x10', 'y10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.1001', '1.2709342', '0.37459309', '0.38053741', '0.72420645', '0.73276095', '0.32844391', '0.9994081', '0.40656221', '0.93327103', '0.59187686', '0.27839884', '0.22975944', '0.876952', '0.29368312', '0.95204216', '0.7059022', '0.28869502'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.25 0.25 0. ] [0.73276095 0. 0. ] [0. 0.32844391 0.9994081 ] [0.40656221 0.93327103 0.25 ] [0.59187686 0.27839884 0.25 ] [0.22975944 0.876952 0.25 ] [0. 0.38053741 0.25 ] [0. 0.72420645 0.25 ] [0.29368312 0.95204216 0.25 ] [0.7059022 0.28869502 0.25 ]] spacegroup = 63 cell = [[14.1001, 0, 0], [0, 17.9203, 0], [0, 0, 5.2818]] ========================================= Step Time Energy fmax BFGS: 0 16:44:10 -276.784756 23.788942 BFGS: 1 16:44:12 -296.053926 22.127775 BFGS: 2 16:44:14 -315.201991 20.220942 BFGS: 3 16:44:16 -335.143441 17.779466 BFGS: 4 16:44:17 -356.136267 15.789983 BFGS: 5 16:44:18 -374.142440 14.532747 BFGS: 6 16:44:19 -390.101013 13.958438 BFGS: 7 16:44:20 -405.663825 13.138045 BFGS: 8 16:44:21 -418.075836 11.666943 BFGS: 9 16:44:22 -428.179964 10.198252 BFGS: 10 16:44:24 -438.799738 8.420399 BFGS: 11 16:44:25 -446.930735 6.767215 BFGS: 12 16:44:26 -453.870673 6.281709 BFGS: 13 16:44:28 -459.636013 5.232228 BFGS: 14 16:44:30 -464.187304 4.404049 BFGS: 15 16:44:31 -467.710021 3.607253 BFGS: 16 16:44:33 -470.380842 3.068919 BFGS: 17 16:44:35 -472.489733 3.927191 BFGS: 18 16:44:37 -473.994609 4.553216 BFGS: 19 16:44:38 -475.317898 5.075228 BFGS: 20 16:44:40 -476.628214 5.560721 BFGS: 21 16:44:42 -478.053532 5.950813 BFGS: 22 16:44:43 -479.942751 6.131459 BFGS: 23 16:44:45 -481.996736 6.215006 BFGS: 24 16:44:47 -484.061290 6.305978 BFGS: 25 16:44:48 -486.038649 6.427655 BFGS: 26 16:44:50 -488.040767 6.733518 BFGS: 27 16:44:52 -490.024220 9.410548 BFGS: 28 16:44:52 -491.934606 12.261435 BFGS: 29 16:44:54 -493.711211 15.296507 BFGS: 30 16:44:55 -495.352151 18.480346 BFGS: 31 16:44:56 -496.917960 21.706300 BFGS: 32 16:44:59 -498.442779 24.775669 BFGS: 33 16:45:01 -499.896042 27.339102 BFGS: 34 16:45:04 -501.219279 29.001521 BFGS: 35 16:45:07 -502.410466 29.738196 BFGS: 36 16:45:09 -503.526971 29.829798 BFGS: 37 16:45:12 -504.612787 29.672330 BFGS: 38 16:45:15 -505.684215 29.336465 BFGS: 39 16:45:18 -506.746084 29.025381 BFGS: 40 16:45:20 -507.801917 28.565553 BFGS: 41 16:45:23 -508.849988 28.326836 BFGS: 42 16:45:24 -509.894403 27.709200 BFGS: 43 16:45:26 -510.930791 27.609777 BFGS: 44 16:45:27 -511.967367 27.068536 BFGS: 45 16:45:29 -512.999995 26.788479 BFGS: 46 16:45:31 -514.032759 26.409775 BFGS: 47 16:45:32 -515.064882 26.093960 BFGS: 48 16:45:33 -516.097895 25.762863 BFGS: 49 16:45:34 -517.132103 25.451642 BFGS: 50 16:45:35 -518.166636 25.143658 BFGS: 51 16:45:36 -519.202466 24.845004 BFGS: 52 16:45:37 -520.239571 24.554278 BFGS: 53 16:45:38 -521.277932 24.269940 BFGS: 54 16:45:39 -522.317452 23.991249 BFGS: 55 16:45:41 -523.357985 23.717288 BFGS: 56 16:45:42 -524.399330 23.447303 BFGS: 57 16:45:43 -525.441237 23.180505 BFGS: 58 16:45:45 -526.483407 22.916161 BFGS: 59 16:45:46 -527.525497 22.653546 BFGS: 60 16:45:48 -528.567115 22.391975 BFGS: 61 16:45:49 -529.607940 22.130787 BFGS: 62 16:45:50 -530.647673 21.869460 BFGS: 63 16:45:52 -531.685503 21.608316 BFGS: 64 16:45:53 -532.720951 21.345460 BFGS: 65 16:45:55 -533.753466 21.080825 BFGS: 66 16:45:56 -534.782300 20.813689 BFGS: 67 16:45:58 -535.807789 20.535768 BFGS: 68 16:46:00 -536.827588 20.261639 BFGS: 69 16:46:02 -537.842073 19.984845 BFGS: 70 16:46:03 -538.851167 19.706899 BFGS: 71 16:46:05 -539.854078 19.428613 BFGS: 72 16:46:05 -540.850462 19.146047 BFGS: 73 16:46:06 -541.840123 18.861000 BFGS: 74 16:46:07 -542.822988 18.571405 BFGS: 75 16:46:10 -543.798424 18.282539 BFGS: 76 16:46:11 -544.768140 17.999817 BFGS: 77 16:46:12 -545.730995 17.711370 BFGS: 78 16:46:14 -546.687976 17.421384 BFGS: 79 16:46:15 -547.639343 17.130466 BFGS: 80 16:46:17 -548.585625 16.841311 BFGS: 81 16:46:18 -549.528622 16.553903 BFGS: 82 16:46:19 -550.468416 16.274730 BFGS: 83 16:46:20 -551.407094 15.993836 BFGS: 84 16:46:22 -552.346226 15.724958 BFGS: 85 16:46:23 -553.286400 15.458166 BFGS: 86 16:46:25 -554.229033 15.199169 BFGS: 87 16:46:26 -555.175923 14.955994 BFGS: 88 16:46:28 -556.128893 14.714084 BFGS: 89 16:46:29 -557.088742 14.480997 BFGS: 90 16:46:30 -558.054148 14.258794 BFGS: 91 16:46:32 -559.015135 14.045662 BFGS: 92 16:46:34 -559.974982 13.838362 BFGS: 93 16:46:35 -560.935761 13.644839 BFGS: 94 16:46:36 -561.900494 13.444297 BFGS: 95 16:46:37 -562.870296 13.256975 BFGS: 96 16:46:38 -563.847053 13.065730 BFGS: 97 16:46:39 -564.830475 12.882647 BFGS: 98 16:46:41 -565.823095 12.701783 BFGS: 99 16:46:42 -566.827289 12.526864 BFGS: 100 16:46:43 -567.851035 12.346337 BFGS: 101 16:46:44 -568.890316 12.181343 BFGS: 102 16:46:45 -569.951950 12.018988 BFGS: 103 16:46:46 -571.040035 11.865161 BFGS: 104 16:46:47 -572.161521 11.716369 BFGS: 105 16:46:48 -573.324566 11.577549 BFGS: 106 16:46:50 -574.535467 11.450181 BFGS: 107 16:46:51 -575.806618 11.332634 BFGS: 108 16:46:52 -577.154319 11.230574 BFGS: 109 16:46:53 -578.597656 11.146514 BFGS: 110 16:46:55 -580.164696 11.084924 BFGS: 111 16:46:56 -581.893566 11.055890 BFGS: 112 16:46:57 -583.842854 11.063647 BFGS: 113 16:46:58 -586.058081 11.113309 BFGS: 114 16:46:58 -588.646756 11.223776 BFGS: 115 16:46:58 -591.757369 11.416483 BFGS: 116 16:46:59 -595.633932 11.750794 BFGS: 117 16:46:59 -600.653082 13.773988 BFGS: 118 16:47:01 -606.675113 16.098555 BFGS: 119 16:47:02 -613.645953 18.504948 BFGS: 120 16:47:02 -621.500678 20.562512 BFGS: 121 16:47:03 -629.784265 21.318207 BFGS: 122 16:47:05 -637.141286 20.195433 BFGS: 123 16:47:06 -642.684534 16.785051 BFGS: 124 16:47:07 -645.171751 16.306837 BFGS: 125 16:47:08 -647.059972 15.634470 BFGS: 126 16:47:08 -648.797807 15.201261 BFGS: 127 16:47:09 -650.476358 14.841102 BFGS: 128 16:47:10 -652.130206 14.557208 BFGS: 129 16:47:11 -653.773160 14.307283 BFGS: 130 16:47:12 -655.398330 14.087755 BFGS: 131 16:47:13 -656.979716 13.885761 BFGS: 132 16:47:14 -658.515894 13.698211 BFGS: 133 16:47:15 -660.004417 13.509461 BFGS: 134 16:47:16 -661.440629 13.323548 BFGS: 135 16:47:17 -662.821114 13.133286 BFGS: 136 16:47:18 -664.143400 12.938047 BFGS: 137 16:47:19 -665.405641 12.735749 BFGS: 138 16:47:19 -666.608280 12.527243 BFGS: 139 16:47:20 -667.752121 12.313003 BFGS: 140 16:47:21 -668.838895 12.094415 BFGS: 141 16:47:22 -669.870976 12.025650 BFGS: 142 16:47:23 -670.851189 11.988899 BFGS: 143 16:47:24 -671.782870 11.954264 BFGS: 144 16:47:25 -672.668282 11.922238 BFGS: 145 16:47:26 -673.513575 11.892899 BFGS: 146 16:47:27 -674.319631 11.866914 BFGS: 147 16:47:27 -675.090647 11.846691 BFGS: 148 16:47:28 -675.830975 11.827598 BFGS: 149 16:47:29 -676.542219 11.810324 BFGS: 150 16:47:30 -677.227420 11.796508 BFGS: 151 16:47:31 -677.888788 11.784854 BFGS: 152 16:47:32 -678.529474 11.776461 BFGS: 153 16:47:33 -679.151703 11.769462 BFGS: 154 16:47:34 -679.757552 11.764957 BFGS: 155 16:47:35 -680.349034 11.761135 BFGS: 156 16:47:36 -680.927559 11.759391 BFGS: 157 16:47:36 -681.494732 11.758099 BFGS: 158 16:47:37 -682.051856 11.757477 BFGS: 159 16:47:38 -682.600120 11.756693 BFGS: 160 16:47:38 -683.141165 11.755489 BFGS: 161 16:47:39 -683.675338 11.755132 BFGS: 162 16:47:40 -684.203338 11.752675 BFGS: 163 16:47:40 -684.725736 11.747641 BFGS: 164 16:47:41 -685.243125 11.740990 BFGS: 165 16:47:41 -685.756013 11.731326 BFGS: 166 16:47:42 -686.264793 11.719096 BFGS: 167 16:47:43 -686.769820 11.703270 BFGS: 168 16:47:43 -687.271395 11.683955 BFGS: 169 16:47:44 -687.769609 11.660046 BFGS: 170 16:47:44 -688.264749 11.632317 BFGS: 171 16:47:45 -688.756995 11.599590 BFGS: 172 16:47:46 -689.246443 11.562039 BFGS: 173 16:47:46 -689.733188 11.519052 BFGS: 174 16:47:47 -690.217286 11.470677 BFGS: 175 16:47:48 -690.698786 11.416530 BFGS: 176 16:47:48 -691.177737 11.356660 BFGS: 177 16:47:49 -691.654285 11.290502 BFGS: 178 16:47:50 -692.128238 11.219651 BFGS: 179 16:47:50 -692.599678 11.141646 BFGS: 180 16:47:51 -693.068585 11.058895 BFGS: 181 16:47:51 -693.535008 10.969653 BFGS: 182 16:47:52 -693.998957 10.875783 BFGS: 183 16:47:53 -694.460357 10.776079 BFGS: 184 16:47:53 -694.919401 10.672589 BFGS: 185 16:47:54 -695.376072 10.563225 BFGS: 186 16:47:54 -695.830470 10.451256 BFGS: 187 16:47:55 -696.282677 10.333997 BFGS: 188 16:47:56 -696.732776 10.214883 BFGS: 189 16:47:56 -697.180887 10.091421 BFGS: 190 16:47:57 -697.627122 9.968536 BFGS: 191 16:47:58 -698.071495 9.841952 BFGS: 192 16:47:58 -698.514356 9.712641 BFGS: 193 16:47:59 -698.955806 9.582019 BFGS: 194 16:48:00 -699.396199 9.451545 BFGS: 195 16:48:00 -699.835467 9.318966 BFGS: 196 16:48:01 -700.273676 9.186786 BFGS: 197 16:48:02 -700.711290 9.054001 BFGS: 198 16:48:02 -701.148139 8.920344 BFGS: 199 16:48:03 -701.584402 8.789540 BFGS: 200 16:48:03 -702.020374 8.658748 BFGS: 201 16:48:04 -702.455984 8.529025 BFGS: 202 16:48:05 -702.891584 8.400315 BFGS: 203 16:48:05 -703.327316 8.271236 BFGS: 204 16:48:06 -703.763143 8.145503 BFGS: 205 16:48:07 -704.199176 8.019224 BFGS: 206 16:48:07 -704.635700 7.895697 BFGS: 207 16:48:08 -705.072719 7.772146 BFGS: 208 16:48:09 -705.510478 7.652050 BFGS: 209 16:48:09 -705.948913 7.531696 BFGS: 210 16:48:10 -706.388306 7.413985 BFGS: 211 16:48:11 -706.829482 7.296902 BFGS: 212 16:48:11 -707.270175 7.182194 BFGS: 213 16:48:12 -707.712305 7.069488 BFGS: 214 16:48:13 -708.156092 6.956374 BFGS: 215 16:48:13 -708.600905 6.846711 BFGS: 216 16:48:14 -709.047500 6.734966 BFGS: 217 16:48:15 -709.495254 6.627709 BFGS: 218 16:48:15 -709.944830 6.518809 BFGS: 219 16:48:16 -710.395748 6.413928 BFGS: 220 16:48:17 -710.848625 6.307470 BFGS: 221 16:48:17 -711.302987 6.205040 BFGS: 222 16:48:18 -711.759452 6.100994 BFGS: 223 16:48:18 -712.217534 6.001117 BFGS: 224 16:48:19 -712.677861 5.899565 BFGS: 225 16:48:20 -713.139926 5.802396 BFGS: 226 16:48:20 -713.604452 5.703522 BFGS: 227 16:48:21 -714.070944 5.608159 BFGS: 228 16:48:22 -714.539907 5.511817 BFGS: 229 16:48:22 -715.010843 5.421062 BFGS: 230 16:48:23 -715.484285 5.328329 BFGS: 231 16:48:24 -715.959673 5.241623 BFGS: 232 16:48:24 -716.437862 5.152980 BFGS: 233 16:48:25 -716.918123 5.070183 BFGS: 234 16:48:25 -717.401268 4.986443 BFGS: 235 16:48:26 -717.886673 4.908242 BFGS: 236 16:48:26 -718.375096 4.829936 BFGS: 237 16:48:27 -718.865836 4.756826 BFGS: 238 16:48:28 -719.359559 4.685933 BFGS: 239 16:48:28 -719.855937 4.619706 BFGS: 240 16:48:29 -720.355419 4.557358 BFGS: 241 16:48:30 -720.857505 4.499275 BFGS: 242 16:48:30 -721.360462 4.445296 BFGS: 243 16:48:31 -721.859582 4.397143 BFGS: 244 16:48:31 -722.355734 4.353632 BFGS: 245 16:48:32 -722.848414 4.316378 BFGS: 246 16:48:33 -723.338424 4.306696 BFGS: 247 16:48:33 -723.825487 4.356952 BFGS: 248 16:48:34 -724.310454 4.407802 BFGS: 249 16:48:35 -724.792550 4.457879 BFGS: 250 16:48:35 -725.272630 4.508614 BFGS: 251 16:48:36 -725.750346 4.558514 BFGS: 252 16:48:37 -726.226169 4.609157 BFGS: 253 16:48:37 -726.699898 4.659891 BFGS: 254 16:48:38 -727.172192 4.710518 BFGS: 255 16:48:38 -727.642550 4.760332 BFGS: 256 16:48:39 -728.111644 4.810861 BFGS: 257 16:48:40 -728.579030 4.860833 BFGS: 258 16:48:40 -729.045241 4.911357 BFGS: 259 16:48:41 -729.510037 4.961481 BFGS: 260 16:48:41 -729.973889 5.012101 BFGS: 261 16:48:42 -730.436634 5.062482 BFGS: 262 16:48:43 -730.898819 5.114207 BFGS: 263 16:48:43 -731.360404 5.164988 BFGS: 264 16:48:44 -731.821461 5.216062 BFGS: 265 16:48:44 -732.282371 5.267528 BFGS: 266 16:48:45 -732.743426 5.319572 BFGS: 267 16:48:46 -733.204617 5.371676 BFGS: 268 16:48:46 -733.666392 5.425717 BFGS: 269 16:48:47 -734.128941 5.480075 BFGS: 270 16:48:47 -734.593024 5.534066 BFGS: 271 16:48:48 -735.057422 5.587468 BFGS: 272 16:48:49 -735.522490 5.641612 BFGS: 273 16:48:49 -735.987659 5.694598 BFGS: 274 16:48:50 -736.453569 5.749768 BFGS: 275 16:48:50 -736.920057 5.801855 BFGS: 276 16:48:51 -737.387500 5.857320 BFGS: 277 16:48:52 -737.849648 5.951933 BFGS: 278 16:48:52 -738.314647 6.086495 BFGS: 279 16:48:53 -738.783348 6.204597 BFGS: 280 16:48:53 -739.252540 6.325270 BFGS: 281 16:48:54 -739.721844 6.445016 BFGS: 282 16:48:55 -740.191864 6.571253 BFGS: 283 16:48:55 -740.663286 6.686238 BFGS: 284 16:48:56 -741.134564 6.811421 BFGS: 285 16:48:56 -741.605563 6.927081 BFGS: 286 16:48:57 -742.076329 7.048917 BFGS: 287 16:48:58 -742.546817 7.162543 BFGS: 288 16:48:58 -743.017105 7.279870 BFGS: 289 16:48:59 -743.487205 7.389973 BFGS: 290 16:48:59 -743.957227 7.501900 BFGS: 291 16:49:00 -744.427235 7.607308 BFGS: 292 16:49:01 -744.897690 7.713117 BFGS: 293 16:49:01 -745.369675 7.802143 BFGS: 294 16:49:02 -745.842232 7.910655 BFGS: 295 16:49:03 -746.315401 7.996600 BFGS: 296 16:49:03 -746.789489 8.096458 BFGS: 297 16:49:04 -747.264596 8.177455 BFGS: 298 16:49:04 -747.741027 8.268522 BFGS: 299 16:49:05 -748.218930 8.343644 BFGS: 300 16:49:06 -748.698757 8.425966 BFGS: 301 16:49:06 -749.180524 8.492272 BFGS: 302 16:49:07 -749.664765 8.568519 BFGS: 303 16:49:07 -750.152471 8.624231 BFGS: 304 16:49:08 -750.643096 8.693223 BFGS: 305 16:49:09 -751.136781 8.745812 BFGS: 306 16:49:09 -751.633891 8.805782 BFGS: 307 16:49:10 -752.134519 8.846076 BFGS: 308 16:49:10 -752.639198 8.902261 BFGS: 309 16:49:11 -753.147725 8.937126 BFGS: 310 16:49:12 -753.660334 8.984693 BFGS: 311 16:49:12 -754.177015 9.013816 BFGS: 312 16:49:13 -754.697832 9.053233 BFGS: 313 16:49:13 -755.222645 9.076705 BFGS: 314 16:49:14 -755.751332 9.108631 BFGS: 315 16:49:15 -756.283562 9.126801 BFGS: 316 16:49:15 -756.819076 9.152052 BFGS: 317 16:49:16 -757.357377 9.165844 BFGS: 318 16:49:16 -757.898430 9.187821 BFGS: 319 16:49:17 -758.440707 9.196116 BFGS: 320 16:49:18 -758.985230 9.212180 BFGS: 321 16:49:18 -759.528384 9.218727 BFGS: 322 16:49:19 -760.068797 9.231906 BFGS: 323 16:49:19 -760.604930 9.236370 BFGS: 324 16:49:20 -761.135550 9.244305 BFGS: 325 16:49:21 -761.657663 9.247548 BFGS: 326 16:49:21 -762.170777 9.254248 BFGS: 327 16:49:22 -762.676098 9.254732 BFGS: 328 16:49:22 -763.175014 9.258697 BFGS: 329 16:49:23 -763.669149 9.258839 BFGS: 330 16:49:24 -764.159987 9.251147 BFGS: 331 16:49:24 -764.649197 9.249311 BFGS: 332 16:49:25 -765.138257 9.306979 BFGS: 333 16:49:25 -765.628511 9.385361 BFGS: 334 16:49:26 -766.121307 9.458793 BFGS: 335 16:49:27 -766.617618 9.526790 BFGS: 336 16:49:27 -767.118478 9.590331 BFGS: 337 16:49:28 -767.624519 9.648843 BFGS: 338 16:49:28 -768.136427 9.703502 BFGS: 339 16:49:29 -768.654328 9.754459 BFGS: 340 16:49:30 -769.178434 9.800471 BFGS: 341 16:49:30 -769.708824 9.844527 BFGS: 342 16:49:31 -770.245509 9.885514 BFGS: 343 16:49:31 -770.788520 9.923727 BFGS: 344 16:49:32 -771.337792 9.959331 BFGS: 345 16:49:33 -771.893215 9.992563 BFGS: 346 16:49:33 -772.454618 10.083210 BFGS: 347 16:49:34 -773.021804 10.179657 BFGS: 348 16:49:34 -773.594536 10.276786 BFGS: 349 16:49:35 -774.172561 10.375540 BFGS: 350 16:49:36 -774.755607 10.474000 BFGS: 351 16:49:36 -775.343405 10.573173 BFGS: 352 16:49:37 -775.935677 10.671425 BFGS: 353 16:49:37 -776.532239 10.769827 BFGS: 354 16:49:38 -777.132781 10.866842 BFGS: 355 16:49:39 -777.737025 10.963863 BFGS: 356 16:49:39 -778.344892 11.048375 BFGS: 357 16:49:40 -778.956006 11.158400 BFGS: 358 16:49:40 -779.569988 11.243203 BFGS: 359 16:49:41 -780.186759 11.345947 BFGS: 360 16:49:42 -780.806449 11.430288 BFGS: 361 16:49:42 -781.428868 11.532901 BFGS: 362 16:49:43 -782.053926 11.614861 BFGS: 363 16:49:43 -782.681873 11.718241 BFGS: 364 16:49:44 -783.312648 11.798853 BFGS: 365 16:49:45 -783.946735 11.903264 BFGS: 366 16:49:45 -784.583754 11.978395 BFGS: 367 16:49:46 -785.223979 12.086141 BFGS: 368 16:49:46 -785.867162 12.161917 BFGS: 369 16:49:47 -786.514134 12.274618 BFGS: 370 16:49:48 -787.163624 12.353562 BFGS: 371 16:49:48 -787.817191 12.474151 BFGS: 372 16:49:49 -788.474220 12.540309 BFGS: 373 16:49:50 -789.135355 12.671474 BFGS: 374 16:49:50 -789.800647 12.739342 BFGS: 375 16:49:51 -790.470711 12.876344 BFGS: 376 16:49:51 -791.145569 12.946088 BFGS: 377 16:49:52 -791.825946 13.088528 BFGS: 378 16:49:53 -792.511994 13.162411 BFGS: 379 16:49:53 -793.204351 13.308996 BFGS: 380 16:49:54 -793.903138 13.389483 BFGS: 381 16:49:54 -794.609212 13.541354 BFGS: 382 16:49:55 -795.322765 13.630195 BFGS: 383 16:49:55 -796.044705 13.787826 BFGS: 384 16:49:56 -796.775343 13.886587 BFGS: 385 16:49:56 -797.515715 14.051211 BFGS: 386 16:49:57 -798.266081 14.161224 BFGS: 387 16:49:58 -799.027677 14.330356 BFGS: 388 16:49:58 -799.800877 14.454389 BFGS: 389 16:49:59 -800.587016 14.636270 BFGS: 390 16:49:59 -801.386776 14.774749 BFGS: 391 16:50:00 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16:53:37 -1174.639430 35.845340 BFGS: 731 16:53:37 -1175.896942 36.133416 BFGS: 732 16:53:38 -1177.155998 36.420889 BFGS: 733 16:53:39 -1178.416371 36.707284 BFGS: 734 16:53:40 -1179.678128 36.990942 BFGS: 735 16:53:41 -1180.940802 37.272407 BFGS: 736 16:53:42 -1182.204694 37.550378 BFGS: 737 16:53:42 -1183.469161 37.825168 BFGS: 738 16:53:43 -1184.734465 38.095282 BFGS: 739 16:53:44 -1185.999784 38.360020 BFGS: 740 16:53:45 -1187.266275 38.618560 BFGS: 741 16:53:45 -1188.532440 38.873098 BFGS: 742 16:53:46 -1189.799320 39.119196 BFGS: 743 16:53:47 -1191.066304 39.358043 BFGS: 744 16:53:48 -1192.334007 39.586646 BFGS: 745 16:53:49 -1193.602209 39.812670 BFGS: 746 16:53:50 -1194.872725 40.027220 BFGS: 747 16:53:51 -1196.144413 40.239380 BFGS: 748 16:53:52 -1197.418877 40.437808 BFGS: 749 16:53:53 -1198.697613 40.633248 BFGS: 750 16:53:54 -1199.978638 40.814154 BFGS: 751 16:53:55 -1201.266649 40.983517 BFGS: 752 16:53:56 -1202.557116 41.147711 BFGS: 753 16:53:57 -1203.857143 41.296896 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49.945142 BFGS: 778 16:54:18 -1240.954430 50.440240 BFGS: 779 16:54:18 -1242.678110 50.881414 BFGS: 780 16:54:19 -1244.438787 51.331746 BFGS: 781 16:54:20 -1246.223635 51.705344 BFGS: 782 16:54:20 -1248.047698 52.099148 BFGS: 783 16:54:21 -1249.891300 52.391442 BFGS: 784 16:54:22 -1251.782080 52.723868 BFGS: 785 16:54:22 -1253.688604 52.941175 BFGS: 786 16:54:23 -1255.642924 53.197017 BFGS: 787 16:54:23 -1257.628472 53.349587 BFGS: 788 16:54:24 -1259.667040 53.513771 BFGS: 789 16:54:25 -1261.747496 53.589757 BFGS: 790 16:54:25 -1263.882694 53.653196 BFGS: 791 16:54:26 -1266.067612 53.635416 BFGS: 792 16:54:26 -1268.305971 53.587735 BFGS: 793 16:54:27 -1270.599149 53.465407 BFGS: 794 16:54:28 -1272.946419 53.308445 BFGS: 795 16:54:28 -1275.354790 53.079305 BFGS: 796 16:54:29 -1277.812371 52.806059 BFGS: 797 16:54:30 -1280.308985 52.452965 BFGS: 798 16:54:30 -1282.770228 52.068451 BFGS: 799 16:54:31 -1285.269275 51.608731 BFGS: 800 16:54:31 -1287.724461 51.113047 BFGS: 801 16:54:32 -1290.220162 50.548053 BFGS: 802 16:54:33 -1292.653478 49.961258 BFGS: 803 16:54:33 -1295.128692 49.301607 BFGS: 804 16:54:34 -1297.526025 48.628724 BFGS: 805 16:54:35 -1299.972693 47.883767 BFGS: 806 16:54:35 -1302.322519 47.138411 BFGS: 807 16:54:36 -1304.730571 46.324957 BFGS: 808 16:54:36 -1307.031097 45.514339 BFGS: 809 16:54:37 -1309.380269 44.639973 BFGS: 810 16:54:38 -1311.629696 43.779080 BFGS: 811 16:54:38 -1313.907500 42.868296 BFGS: 812 16:54:39 -1316.100805 41.970857 BFGS: 813 16:54:40 -1318.302721 41.037107 BFGS: 814 16:54:40 -1320.435161 40.118716 BFGS: 815 16:54:41 -1322.564116 39.178322 BFGS: 816 16:54:41 -1324.634447 38.251578 BFGS: 817 16:54:42 -1326.690731 37.325051 BFGS: 818 16:54:43 -1328.695334 36.415643 BFGS: 819 16:54:43 -1330.685358 35.509003 BFGS: 820 16:54:44 -1332.635233 34.618226 BFGS: 821 16:54:44 -1334.570176 33.744162 BFGS: 822 16:54:45 -1336.468411 32.892425 BFGS: 823 16:54:46 -1338.353868 32.062618 BFGS: 824 16:54:46 -1340.205718 31.264025 BFGS: 825 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BFGS: 1016 16:56:46 -1586.276552 6.581358 BFGS: 1017 16:56:47 -1586.494524 6.535226 BFGS: 1018 16:56:48 -1586.716841 6.621918 BFGS: 1019 16:56:48 -1587.040632 6.287854 BFGS: 1020 16:56:49 -1587.301393 6.579650 BFGS: 1021 16:56:50 -1587.582008 6.149759 BFGS: 1022 16:56:50 -1587.818196 5.674541 BFGS: 1023 16:56:51 -1588.023713 5.894156 BFGS: 1024 16:56:51 -1588.204116 6.094853 BFGS: 1025 16:56:52 -1588.367357 6.274914 BFGS: 1026 16:56:53 -1588.522461 6.411580 BFGS: 1027 16:56:53 -1588.680750 6.529124 BFGS: 1028 16:56:54 -1588.851071 6.620541 BFGS: 1029 16:56:55 -1589.038609 6.690366 BFGS: 1030 16:56:55 -1589.248146 6.739079 BFGS: 1031 16:56:56 -1589.480658 6.770649 BFGS: 1032 16:56:56 -1589.735953 6.788507 BFGS: 1033 16:56:57 -1590.013583 6.795878 BFGS: 1034 16:56:58 -1590.307453 6.898950 BFGS: 1035 16:56:58 -1590.621800 6.990584 BFGS: 1036 16:56:59 -1590.952415 7.067534 BFGS: 1037 16:57:00 -1591.299528 7.130042 BFGS: 1038 16:57:00 -1591.657639 7.182813 BFGS: 1039 16:57:01 -1592.029531 7.504046 BFGS: 1040 16:57:02 -1592.412187 7.964920 BFGS: 1041 16:57:02 -1592.803875 8.408941 BFGS: 1042 16:57:03 -1593.203878 8.831406 BFGS: 1043 16:57:03 -1593.607855 9.242047 BFGS: 1044 16:57:04 -1594.019928 9.634751 BFGS: 1045 16:57:05 -1594.436668 10.012384 BFGS: 1046 16:57:05 -1594.857371 10.374194 BFGS: 1047 16:57:06 -1595.281570 10.724841 BFGS: 1048 16:57:07 -1595.704297 11.066894 BFGS: 1049 16:57:07 -1596.131911 11.395208 BFGS: 1050 16:57:08 -1596.558534 11.710571 BFGS: 1051 16:57:08 -1596.986044 12.018477 BFGS: 1052 16:57:09 -1597.409717 12.311048 BFGS: 1053 16:57:10 -1597.833207 12.649451 BFGS: 1054 16:57:10 -1598.252811 13.140411 BFGS: 1055 16:57:11 -1598.670129 13.623526 BFGS: 1056 16:57:12 -1599.082627 14.119236 BFGS: 1057 16:57:12 -1599.490776 14.610765 BFGS: 1058 16:57:13 -1599.893311 15.115502 BFGS: 1059 16:57:14 -1600.290906 15.617951 BFGS: 1060 16:57:14 -1600.682927 16.133014 BFGS: 1061 16:57:15 -1601.067286 16.647217 BFGS: 1062 16:57:15 -1601.432578 17.179983 BFGS: 1063 16:57:16 -1601.796285 17.683017 BFGS: 1064 16:57:17 -1602.154511 18.232820 BFGS: 1065 16:57:17 -1602.520089 18.709705 BFGS: 1066 16:57:18 -1602.901614 19.230716 BFGS: 1067 16:57:19 -1603.290777 19.665158 BFGS: 1068 16:57:19 -1603.688136 20.190559 BFGS: 1069 16:57:20 -1604.096021 20.541222 BFGS: 1070 16:57:20 -1604.558411 21.039168 BFGS: 1071 16:57:21 -1604.986288 20.927443 BFGS: 1072 16:57:22 -1605.433037 21.075030 BFGS: 1073 16:57:22 -1605.898172 21.456891 BFGS: 1074 16:57:23 -1606.375820 21.858070 BFGS: 1075 16:57:24 -1606.868443 22.241025 BFGS: 1076 16:57:24 -1607.380236 22.594435 BFGS: 1077 16:57:25 -1607.910592 22.933473 BFGS: 1078 16:57:25 -1608.460831 23.250514 BFGS: 1079 16:57:26 -1609.033929 23.542103 BFGS: 1080 16:57:27 -1609.633959 23.807491 BFGS: 1081 16:57:27 -1610.260788 24.043529 BFGS: 1082 16:57:28 -1610.917109 24.249474 BFGS: 1083 16:57:29 -1611.605215 24.423169 BFGS: 1084 16:57:29 -1612.327087 24.563546 BFGS: 1085 16:57:30 -1613.084330 24.669252 BFGS: 1086 16:57:31 -1613.877964 24.739969 BFGS: 1087 16:57:31 -1614.708495 24.775534 BFGS: 1088 16:57:32 -1615.576732 24.773208 BFGS: 1089 16:57:32 -1616.477935 24.739361 BFGS: 1090 16:57:33 -1617.410388 24.675551 BFGS: 1091 16:57:34 -1618.369247 24.581963 BFGS: 1092 16:57:34 -1619.349957 24.463537 BFGS: 1093 16:57:35 -1620.347344 24.317749 BFGS: 1094 16:57:36 -1621.354799 24.150851 BFGS: 1095 16:57:36 -1622.367047 23.955942 BFGS: 1096 16:57:37 -1623.385220 23.735092 BFGS: 1097 16:57:37 -1624.403602 23.490736 BFGS: 1098 16:57:38 -1625.435898 23.227691 BFGS: 1099 16:57:39 -1626.469673 22.973139 BFGS: 1100 16:57:39 -1627.521467 22.728739 BFGS: 1101 16:57:40 -1628.575441 22.500346 BFGS: 1102 16:57:41 -1629.655527 22.291607 BFGS: 1103 16:57:41 -1630.735492 22.096627 BFGS: 1104 16:57:42 -1631.855783 21.918376 BFGS: 1105 16:57:42 -1632.959961 21.729574 BFGS: 1106 16:57:43 -1634.185787 21.697209 BFGS: 1107 16:57:44 -1635.366523 21.560133 BFGS: 1108 16:57:44 -1636.542846 21.382408 BFGS: 1109 16:57:45 -1637.751653 21.253338 BFGS: 1110 16:57:46 -1638.981745 21.095597 BFGS: 1111 16:57:46 -1640.232222 20.968609 BFGS: 1112 16:57:47 -1641.497836 20.810758 BFGS: 1113 16:57:47 -1642.790169 20.696763 BFGS: 1114 16:57:48 -1644.063963 20.754064 BFGS: 1115 16:57:49 -1645.361668 20.739210 BFGS: 1116 16:57:49 -1646.696683 20.818302 BFGS: 1117 16:57:50 -1648.057947 21.106631 BFGS: 1118 16:57:51 -1649.427579 21.542798 BFGS: 1119 16:57:51 -1650.848792 21.638448 BFGS: 1120 16:57:52 -1652.261150 21.911564 BFGS: 1121 16:57:52 -1653.619841 22.231202 BFGS: 1122 16:57:53 -1655.141141 22.350068 BFGS: 1123 16:57:54 -1656.679147 22.539101 BFGS: 1124 16:57:54 -1658.242864 22.685139 BFGS: 1125 16:57:55 -1659.839978 22.858820 BFGS: 1126 16:57:56 -1661.458088 22.996565 BFGS: 1127 16:57:56 -1663.115022 23.170627 BFGS: 1128 16:57:57 -1664.784186 23.294110 BFGS: 1129 16:57:58 -1666.497624 23.573289 BFGS: 1130 16:57:58 -1668.217498 23.773503 BFGS: 1131 16:57:59 -1669.973729 23.905907 BFGS: 1132 16:57:59 -1671.768696 24.042346 BFGS: 1133 16:58:00 -1673.591104 24.164411 BFGS: 1134 16:58:01 -1675.439870 24.289240 BFGS: 1135 16:58:01 -1677.319528 24.406003 BFGS: 1136 16:58:02 -1679.224012 24.525006 BFGS: 1137 16:58:03 -1681.157261 24.617549 BFGS: 1138 16:58:03 -1683.106923 24.711803 BFGS: 1139 16:58:04 -1685.085991 24.794597 BFGS: 1140 16:58:04 -1687.082620 24.873564 BFGS: 1141 16:58:05 -1689.099193 24.945565 BFGS: 1142 16:58:06 -1691.140564 25.016795 BFGS: 1143 16:58:06 -1693.203866 25.069677 BFGS: 1144 16:58:07 -1695.279858 25.114001 BFGS: 1145 16:58:08 -1697.377079 25.146315 BFGS: 1146 16:58:08 -1699.488637 25.176295 BFGS: 1147 16:58:09 -1701.618872 25.187391 BFGS: 1148 16:58:10 -1703.758678 25.191987 BFGS: 1149 16:58:10 -1705.913108 25.183549 BFGS: 1150 16:58:11 -1708.075797 25.165493 BFGS: 1151 16:58:11 -1710.249102 25.134842 BFGS: 1152 16:58:12 -1712.428595 25.095904 BFGS: 1153 16:58:13 -1714.616179 25.047072 BFGS: 1154 16:58:13 -1716.805089 24.979000 BFGS: 1155 16:58:14 -1718.988397 24.911178 BFGS: 1156 16:58:15 -1721.166735 24.811804 BFGS: 1157 16:58:15 -1723.351877 24.709384 BFGS: 1158 16:58:16 -1725.522998 24.594757 BFGS: 1159 16:58:17 -1727.689321 24.463615 BFGS: 1160 16:58:17 -1729.840647 24.311617 BFGS: 1161 16:58:18 -1731.984283 24.145352 BFGS: 1162 16:58:18 -1734.117018 23.962121 BFGS: 1163 16:58:19 -1736.234845 23.753390 BFGS: 1164 16:58:20 -1738.337798 23.534041 BFGS: 1165 16:58:20 -1740.423917 23.298269 BFGS: 1166 16:58:21 -1742.489655 23.043847 BFGS: 1167 16:58:22 -1744.533576 22.778072 BFGS: 1168 16:58:22 -1746.556713 22.507033 BFGS: 1169 16:58:23 -1748.549652 22.203534 BFGS: 1170 16:58:23 -1750.517778 21.876875 BFGS: 1171 16:58:24 -1752.461639 21.546385 BFGS: 1172 16:58:25 -1754.371140 21.184907 BFGS: 1173 16:58:25 -1756.255544 20.829179 BFGS: 1174 16:58:26 -1758.096096 20.422496 BFGS: 1175 16:58:27 -1759.918785 20.012304 BFGS: 1176 16:58:27 -1761.698240 19.578667 BFGS: 1177 16:58:28 -1763.444205 19.124025 BFGS: 1178 16:58:29 -1765.153350 18.649820 BFGS: 1179 16:58:29 -1766.824302 18.158280 BFGS: 1180 16:58:30 -1768.453734 17.637809 BFGS: 1181 16:58:30 -1770.042145 17.108526 BFGS: 1182 16:58:31 -1771.584159 16.547050 BFGS: 1183 16:58:32 -1773.079725 15.959166 BFGS: 1184 16:58:32 -1774.535999 15.359139 BFGS: 1185 16:58:33 -1775.930794 14.729098 BFGS: 1186 16:58:34 -1777.286585 14.067379 BFGS: 1187 16:58:34 -1778.580520 13.394565 BFGS: 1188 16:58:35 -1779.824479 12.689383 BFGS: 1189 16:58:36 -1780.999514 11.939900 BFGS: 1190 16:58:36 -1782.130211 11.175297 BFGS: 1191 16:58:36 -1783.180680 10.363904 BFGS: 1192 16:58:37 -1784.179832 9.561317 BFGS: 1193 16:58:37 -1785.090233 8.680968 BFGS: 1194 16:58:38 -1785.945415 7.914061 BFGS: 1195 16:58:38 -1786.707226 7.793467 BFGS: 1196 16:58:39 -1787.391111 7.651254 BFGS: 1197 16:58:40 -1787.984761 7.505251 BFGS: 1198 16:58:40 -1788.471220 7.337140 BFGS: 1199 16:58:41 -1788.866177 7.151445 BFGS: 1200 16:58:42 -1789.155583 6.937723 BFGS: 1201 16:58:42 -1789.365521 6.662253 BFGS: 1202 16:58:43 -1789.505594 6.288064 BFGS: 1203 16:58:43 -1789.624650 5.848778 BFGS: 1204 16:58:44 -1789.847867 4.966270 BFGS: 1205 16:58:45 -1790.076579 4.145326 BFGS: 1206 16:58:45 -1790.349300 3.734269 BFGS: 1207 16:58:46 -1790.585969 3.700172 BFGS: 1208 16:58:47 -1790.795317 3.494052 BFGS: 1209 16:58:47 -1791.014428 3.943592 BFGS: 1210 16:58:48 -1791.227542 3.912283 BFGS: 1211 16:58:49 -1791.389777 3.019657 BFGS: 1212 16:58:49 -1791.503602 1.804353 BFGS: 1213 16:58:50 -1791.565059 1.581847 BFGS: 1214 16:58:50 -1791.601681 1.480694 BFGS: 1215 16:58:51 -1791.658907 1.202274 BFGS: 1216 16:58:52 -1791.722814 1.073016 BFGS: 1217 16:58:53 -1791.775604 1.261675 BFGS: 1218 16:58:53 -1791.799303 1.344904 BFGS: 1219 16:58:54 -1791.811585 1.375375 BFGS: 1220 16:58:54 -1791.826520 1.422301 BFGS: 1221 16:58:55 -1791.848089 1.492856 BFGS: 1222 16:58:55 -1791.880599 1.580382 BFGS: 1223 16:58:56 -1791.917509 1.615563 BFGS: 1224 16:58:57 -1791.951283 1.722975 BFGS: 1225 16:58:57 -1791.976561 1.810536 BFGS: 1226 16:58:58 -1791.993183 1.849499 BFGS: 1227 16:58:59 -1792.004860 1.876804 BFGS: 1228 16:59:00 -1792.012402 1.902639 BFGS: 1229 16:59:00 -1792.016851 1.938112 BFGS: 1230 16:59:01 -1792.019457 1.996555 BFGS: 1231 16:59:01 -1792.021075 2.084748 BFGS: 1232 16:59:02 -1792.022188 2.205799 BFGS: 1233 16:59:03 -1792.022952 2.344108 BFGS: 1234 16:59:03 -1792.023467 2.480499 BFGS: 1235 16:59:04 -1792.023792 2.593620 BFGS: 1236 16:59:05 -1792.023996 2.687848 BFGS: 1237 16:59:05 -1792.024115 2.756495 BFGS: 1238 16:59:06 -1792.024185 2.813042 BFGS: 1239 16:59:07 -1792.024220 2.844638 BFGS: 1240 16:59:08 -1792.024239 2.875143 BFGS: 1241 16:59:09 -1792.024245 2.881618 BFGS: 1242 16:59:10 -1792.024258 2.897492 BFGS: 1243 16:59:11 -1792.024268 2.902691 BFGS: 1244 16:59:13 -1792.024301 2.908464 BFGS: 1245 16:59:14 -1792.024369 2.912160 BFGS: 1246 16:59:14 -1792.024549 2.913455 BFGS: 1247 16:59:15 -1792.025004 2.910620 BFGS: 1248 16:59:16 -1792.026193 2.900191 BFGS: 1249 16:59:17 -1792.029280 2.875857 BFGS: 1250 16:59:17 -1792.037326 2.824715 BFGS: 1251 16:59:18 -1792.058160 2.720123 BFGS: 1252 16:59:19 -1792.111225 2.505025 BFGS: 1253 16:59:22 -1792.240435 2.068241 BFGS: 1254 16:59:24 -1792.410978 1.974024 BFGS: 1255 16:59:25 -1792.586444 2.117540 BFGS: 1256 16:59:27 -1792.768978 2.220697 BFGS: 1257 16:59:29 -1792.957643 2.293194 BFGS: 1258 16:59:31 -1793.129584 2.329727 BFGS: 1259 16:59:32 -1793.277252 2.328732 BFGS: 1260 16:59:34 -1793.400974 2.305261 BFGS: 1261 16:59:35 -1793.496213 2.278728 BFGS: 1262 16:59:37 -1793.557953 2.249423 BFGS: 1263 16:59:38 -1793.581018 2.240177 BFGS: 1264 16:59:39 -1793.585427 2.240924 BFGS: 1265 16:59:41 -1793.614063 2.319626 BFGS: 1266 16:59:42 -1793.646269 2.369449 BFGS: 1267 16:59:43 -1793.749776 2.640301 BFGS: 1268 16:59:45 -1793.880422 2.921922 BFGS: 1269 16:59:46 -1794.028745 3.255127 BFGS: 1270 16:59:47 -1794.194237 3.560379 BFGS: 1271 16:59:48 -1794.371976 3.820145 BFGS: 1272 16:59:49 -1794.557766 4.068347 BFGS: 1273 16:59:51 -1794.753193 4.298836 BFGS: 1274 16:59:52 -1794.962821 4.510748 BFGS: 1275 16:59:53 -1795.188872 4.733207 BFGS: 1276 16:59:54 -1795.432159 4.923689 BFGS: 1277 16:59:55 -1795.699178 5.134078 BFGS: 1278 16:59:57 -1796.002101 5.297133 BFGS: 1279 16:59:58 -1796.353371 5.561369 BFGS: 1280 16:59:59 -1796.820859 5.552148 BFGS: 1281 17:00:00 -1797.351591 6.985615 BFGS: 1282 17:00:02 -1797.894695 6.889361 BFGS: 1283 17:00:03 -1798.416463 7.032898 BFGS: 1284 17:00:04 -1798.988551 7.430421 BFGS: 1285 17:00:05 -1799.632479 7.930698 BFGS: 1286 17:00:06 -1800.305753 8.445732 BFGS: 1287 17:00:08 -1800.974794 8.943073 BFGS: 1288 17:00:09 -1801.591853 9.582496 BFGS: 1289 17:00:10 -1802.510415 9.691766 BFGS: 1290 17:00:11 -1803.320629 10.689488 BFGS: 1291 17:00:12 -1804.173024 10.456387 BFGS: 1292 17:00:14 -1805.065092 9.736775 BFGS: 1293 17:00:15 -1806.024816 8.466550 BFGS: 1294 17:00:16 -1806.949518 8.274664 BFGS: 1295 17:00:17 -1808.198700 11.867514 BFGS: 1296 17:00:18 -1809.107413 14.648282 BFGS: 1297 17:00:20 -1810.417026 15.404365 BFGS: 1298 17:00:21 -1812.204475 14.432756 BFGS: 1299 17:00:22 -1813.488234 11.931426 BFGS: 1300 17:00:23 -1814.744431 7.827107 BFGS: 1301 17:00:24 -1815.294290 5.153614 BFGS: 1302 17:00:26 -1815.625169 4.666992 BFGS: 1303 17:00:27 -1815.806653 4.232639 BFGS: 1304 17:00:28 -1815.883008 4.380024 BFGS: 1305 17:00:29 -1815.934842 4.154652 BFGS: 1306 17:00:31 -1815.969316 4.201290 BFGS: 1307 17:00:32 -1816.002904 4.186854 BFGS: 1308 17:00:33 -1816.008740 4.187369 BFGS: 1309 17:00:34 -1816.035951 4.238271 BFGS: 1310 17:00:35 -1816.066564 4.305097 BFGS: 1311 17:00:37 -1816.156804 4.370730 BFGS: 1312 17:00:38 -1816.310531 4.298492 BFGS: 1313 17:00:39 -1816.487993 4.045440 BFGS: 1314 17:00:40 -1816.666485 3.529594 BFGS: 1315 17:00:41 -1816.717122 3.215348 BFGS: 1316 17:00:43 -1816.724986 3.158909 BFGS: 1317 17:00:44 -1816.727926 3.156393 BFGS: 1318 17:00:45 -1816.729375 3.156025 BFGS: 1319 17:00:45 -1816.729630 3.159672 BFGS: 1320 17:00:47 -1816.730158 3.172660 BFGS: 1321 17:00:48 -1816.730237 3.175540 BFGS: 1322 17:00:49 -1816.730465 3.180437 BFGS: 1323 17:00:49 -1816.730863 3.185924 BFGS: 1324 17:00:50 -1816.732075 3.195746 BFGS: 1325 17:00:51 -1816.735067 3.210696 BFGS: 1326 17:00:51 -1816.743063 3.234288 BFGS: 1327 17:00:52 -1816.763781 3.269938 BFGS: 1328 17:00:53 -1816.817944 3.320977 BFGS: 1329 17:00:53 -1816.928112 3.369090 BFGS: 1330 17:00:54 -1817.077463 3.393546 BFGS: 1331 17:00:55 -1817.253078 3.401542 BFGS: 1332 17:00:55 -1817.435685 3.393585 BFGS: 1333 17:00:56 -1817.624366 3.571000 BFGS: 1334 17:00:57 -1817.817734 3.703212 BFGS: 1335 17:00:57 -1818.015364 3.799100 BFGS: 1336 17:00:58 -1818.215530 3.868133 BFGS: 1337 17:00:59 -1818.417693 3.907040 BFGS: 1338 17:00:59 -1818.620419 3.927725 BFGS: 1339 17:01:00 -1818.823610 3.954879 BFGS: 1340 17:01:01 -1819.027143 3.961403 BFGS: 1341 17:01:01 -1819.229735 3.953761 BFGS: 1342 17:01:02 -1819.430304 3.944307 BFGS: 1343 17:01:02 -1819.632389 3.923127 BFGS: 1344 17:01:03 -1819.833020 3.893526 BFGS: 1345 17:01:04 -1820.032081 3.851424 BFGS: 1346 17:01:04 -1820.229356 3.808394 BFGS: 1347 17:01:05 -1820.421368 3.769662 BFGS: 1348 17:01:06 -1820.613962 3.720103 BFGS: 1349 17:01:06 -1820.803614 3.665518 BFGS: 1350 17:01:07 -1820.990584 3.606842 BFGS: 1351 17:01:08 -1821.174543 3.545822 BFGS: 1352 17:01:08 -1821.355267 3.478570 BFGS: 1353 17:01:09 -1821.532488 3.410129 BFGS: 1354 17:01:10 -1821.706142 3.338940 BFGS: 1355 17:01:10 -1821.876115 3.265150 BFGS: 1356 17:01:11 -1822.042255 3.188843 BFGS: 1357 17:01:11 -1822.204432 3.110166 BFGS: 1358 17:01:12 -1822.362519 3.029224 BFGS: 1359 17:01:13 -1822.516528 2.944552 BFGS: 1360 17:01:13 -1822.665913 2.863257 BFGS: 1361 17:01:14 -1822.811241 2.773781 BFGS: 1362 17:01:15 -1822.951395 2.689550 BFGS: 1363 17:01:15 -1823.087754 2.600705 BFGS: 1364 17:01:16 -1823.219319 2.507794 BFGS: 1365 17:01:17 -1823.346009 2.414231 BFGS: 1366 17:01:17 -1823.467844 2.310271 BFGS: 1367 17:01:18 -1823.584338 2.217997 BFGS: 1368 17:01:18 -1823.695924 2.119793 BFGS: 1369 17:01:19 -1823.801676 2.022474 BFGS: 1370 17:01:20 -1823.902836 1.920274 BFGS: 1371 17:01:20 -1823.998475 1.807603 BFGS: 1372 17:01:21 -1824.088172 1.707928 BFGS: 1373 17:01:22 -1824.172595 1.597553 BFGS: 1374 17:01:23 -1824.250472 1.494277 BFGS: 1375 17:01:24 -1824.323570 1.384551 BFGS: 1376 17:01:24 -1824.390298 1.263475 BFGS: 1377 17:01:25 -1824.450669 1.141976 BFGS: 1378 17:01:25 -1824.504527 1.016941 BFGS: 1379 17:01:26 -1824.551437 0.892245 BFGS: 1380 17:01:27 -1824.591597 0.758910 BFGS: 1381 17:01:27 -1824.624544 0.619661 BFGS: 1382 17:01:28 -1824.649826 0.475487 BFGS: 1383 17:01:29 -1824.667335 0.322086 BFGS: 1384 17:01:29 -1824.676627 0.153642 BFGS: 1385 17:01:30 -1824.678230 0.050774 BFGS: 1386 17:01:30 -1824.678270 0.027941 BFGS: 1387 17:01:30 -1824.678294 0.014877 BFGS: 1388 17:01:31 -1824.678312 0.004395 BFGS: 1389 17:01:32 -1824.678314 0.004368 BFGS: 1390 17:01:32 -1824.678315 0.001438 BFGS: 1391 17:01:33 -1824.678315 0.000329 BFGS: 1392 17:01:33 -1824.678315 0.000049 BFGS: 1393 17:01:34 -1824.678315 0.000008 BFGS: 1394 17:01:35 -1824.678315 0.000003 BFGS: 1395 17:01:35 -1824.678315 0.000000 BFGS: 1396 17:01:36 -1824.678315 0.000000 BFGS: 1397 17:01:36 -1824.678315 0.000000 BFGS: 1398 17:01:36 -1824.678315 0.000000 BFGS: 1399 17:01:37 -1824.678315 0.000000 Minimization converged after 1399 steps. Maximum force component: 8.966180792720143e-09 eV/Angstrom Maximum stress component: 4.4186721369207354e-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 6.93669796e-32] [7.50000000e-01 7.50000000e-01 5.00000000e-01] [7.50000000e-01 2.50000000e-01 5.00000000e-01] [2.50000000e-01 7.50000000e-01 1.95176731e-32] [7.50000000e-01 7.50000000e-01 0.00000000e+00] [2.50000000e-01 2.50000000e-01 5.00000000e-01] [2.50000000e-01 7.50000000e-01 5.00000000e-01] [7.50000000e-01 2.50000000e-01 0.00000000e+00] [8.87525007e-01 1.00000000e+00 4.57096353e-33] [1.12474993e-01 1.00000000e+00 5.00000000e-01] [3.87525007e-01 5.00000000e-01 6.10454808e-33] [6.12474993e-01 5.00000000e-01 5.00000000e-01] [1.12474993e-01 1.00000000e+00 0.00000000e+00] [8.87525007e-01 1.00000000e+00 5.00000000e-01] [6.12474993e-01 5.00000000e-01 0.00000000e+00] [3.87525007e-01 5.00000000e-01 5.00000000e-01] [1.69220175e-36 4.56535823e-01 5.31275313e-02] [4.52503622e-36 5.43464177e-01 5.53127531e-01] [0.00000000e+00 4.56535823e-01 4.46872469e-01] [0.00000000e+00 5.43464177e-01 9.46872469e-01] [5.00000000e-01 9.56535823e-01 5.31275313e-02] [5.00000000e-01 4.34641769e-02 5.53127531e-01] [5.00000000e-01 9.56535823e-01 4.46872469e-01] [5.00000000e-01 4.34641769e-02 9.46872469e-01] [3.02194789e-01 9.85651104e-01 2.50000000e-01] [6.97805211e-01 1.43488964e-02 7.50000000e-01] [6.97805211e-01 9.85651104e-01 2.50000000e-01] [3.02194789e-01 1.43488964e-02 7.50000000e-01] [8.02194789e-01 4.85651104e-01 2.50000000e-01] [1.97805211e-01 5.14348896e-01 7.50000000e-01] [1.97805211e-01 4.85651104e-01 2.50000000e-01] [8.02194789e-01 5.14348896e-01 7.50000000e-01] [6.09296228e-01 4.34376880e-01 2.50000000e-01] [3.90703772e-01 5.65623120e-01 7.50000000e-01] [3.90703772e-01 4.34376880e-01 2.50000000e-01] [6.09296228e-01 5.65623120e-01 7.50000000e-01] [1.09296228e-01 9.34376880e-01 2.50000000e-01] [8.90703772e-01 6.56231204e-02 7.50000000e-01] [8.90703772e-01 9.34376880e-01 2.50000000e-01] [1.09296228e-01 6.56231204e-02 7.50000000e-01] [1.13843479e-01 7.04483185e-01 2.50000000e-01] [8.86156521e-01 2.95516815e-01 7.50000000e-01] [8.86156521e-01 7.04483185e-01 2.50000000e-01] [1.13843479e-01 2.95516815e-01 7.50000000e-01] [6.13843479e-01 2.04483185e-01 2.50000000e-01] [3.86156521e-01 7.95516815e-01 7.50000000e-01] [3.86156521e-01 2.04483185e-01 2.50000000e-01] [6.13843479e-01 7.95516815e-01 7.50000000e-01] [0.00000000e+00 2.40287276e-01 2.50000000e-01] [5.90165561e-36 7.59712724e-01 7.50000000e-01] [5.00000000e-01 7.40287276e-01 2.50000000e-01] [5.00000000e-01 2.59712724e-01 7.50000000e-01] [5.38861831e-36 8.26062164e-01 2.50000000e-01] [0.00000000e+00 1.73937836e-01 7.50000000e-01] [5.00000000e-01 3.26062164e-01 2.50000000e-01] [5.00000000e-01 6.73937836e-01 7.50000000e-01] [1.75083736e-01 9.89786536e-02 2.50000000e-01] [8.24916264e-01 9.01021346e-01 7.50000000e-01] [8.24916264e-01 9.89786536e-02 2.50000000e-01] [1.75083736e-01 9.01021346e-01 7.50000000e-01] [6.75083736e-01 5.98978654e-01 2.50000000e-01] [3.24916264e-01 4.01021346e-01 7.50000000e-01] [3.24916264e-01 5.98978654e-01 2.50000000e-01] [6.75083736e-01 4.01021346e-01 7.50000000e-01] [8.33556011e-01 3.61557054e-01 2.50000000e-01] [1.66443989e-01 6.38442946e-01 7.50000000e-01] [1.66443989e-01 3.61557054e-01 2.50000000e-01] [8.33556011e-01 6.38442946e-01 7.50000000e-01] [3.33556011e-01 8.61557054e-01 2.50000000e-01] [6.66443989e-01 1.38442946e-01 7.50000000e-01] [6.66443989e-01 8.61557054e-01 2.50000000e-01] [3.33556011e-01 1.38442946e-01 7.50000000e-01]] cellpar = Cell([[5.842084257773772, -6.894109229720045e-36, 0.0], [-1.946380899488878e-35, 14.224312327475454, 0.0], [0.0, 0.0, 3.3414493687010016]]) forces = [[ 1.22833904e-64 -8.97680312e-29 5.27187755e-30] [ 1.65909308e-28 6.73260234e-29 0.00000000e+00] [-1.47474940e-28 2.24420078e-29 2.10875102e-29] [ 7.37374700e-29 -3.92735136e-29 2.37234490e-29] [ 1.10606205e-28 1.12210039e-29 -7.90781632e-30] [-2.21212410e-28 4.48840156e-29 0.00000000e+00] [ 1.47474940e-28 6.17155214e-29 -4.21750204e-29] [ 9.21718375e-29 3.36630117e-29 1.05437551e-29] [-6.43698226e-09 7.59613468e-45 4.21750204e-29] [ 6.43698226e-09 -7.59613468e-45 8.43500408e-29] [-6.43698226e-09 7.59613468e-45 0.00000000e+00] [ 6.43698226e-09 -7.59613468e-45 0.00000000e+00] [ 6.43698226e-09 -7.59613468e-45 -8.43500408e-29] [-6.43698226e-09 7.59613468e-45 0.00000000e+00] [ 6.43698226e-09 -7.59613468e-45 0.00000000e+00] [-6.43698226e-09 7.59613468e-45 0.00000000e+00] [-1.25669296e-46 9.18401595e-11 9.85287680e-10] [ 1.25669296e-46 -9.18401595e-11 9.85287680e-10] [-1.15214797e-30 9.18401595e-11 -9.85287680e-10] [ 1.15214797e-30 -9.18401595e-11 -9.85287680e-10] [-1.25669296e-46 9.18401595e-11 9.85287680e-10] [ 1.25669296e-46 -9.18401595e-11 9.85287680e-10] [-1.25669296e-46 9.18401595e-11 -9.85287680e-10] [ 1.25669296e-46 -9.18401595e-11 -9.85287680e-10] [ 1.43410025e-10 1.80703179e-09 0.00000000e+00] [-1.43410025e-10 -1.80703179e-09 0.00000000e+00] [-1.43410025e-10 1.80703179e-09 0.00000000e+00] [ 1.43410025e-10 -1.80703179e-09 0.00000000e+00] [ 1.43410025e-10 1.80703179e-09 -6.58984693e-31] [-1.43410025e-10 -1.80703179e-09 0.00000000e+00] [-1.43410025e-10 1.80703179e-09 0.00000000e+00] [ 1.43410025e-10 -1.80703179e-09 0.00000000e+00] [ 1.64744007e-09 -1.78973629e-09 -2.10875102e-29] [-1.64744007e-09 1.78973629e-09 5.79906530e-29] [-1.64744007e-09 -1.78973629e-09 -8.43500408e-29] [ 1.64744007e-09 1.78973629e-09 3.69031428e-29] [ 1.64744007e-09 -1.78973629e-09 -4.21750204e-29] [-1.64744007e-09 1.78973629e-09 5.79906530e-29] [-1.64744007e-09 -1.78973629e-09 -8.43500408e-29] [ 1.64744007e-09 1.78973629e-09 3.69031428e-29] [ 9.49403884e-10 -2.05445351e-09 0.00000000e+00] [-9.49403884e-10 2.05445351e-09 -1.64746173e-31] [-9.49403884e-10 -2.05445351e-09 0.00000000e+00] [ 9.49403884e-10 2.05445351e-09 1.81220791e-30] [ 9.49403884e-10 -2.05445351e-09 0.00000000e+00] [-9.49403884e-10 2.05445351e-09 -4.28340051e-30] [-9.49403884e-10 -2.05445351e-09 0.00000000e+00] [ 9.49403884e-10 2.05445351e-09 -1.64746173e-31] [-3.68687350e-29 -4.96945106e-09 0.00000000e+00] [ 3.68687350e-29 4.96945106e-09 0.00000000e+00] [-3.68687350e-29 -4.96945106e-09 0.00000000e+00] [ 3.68687350e-29 4.96945106e-09 0.00000000e+00] [-1.84343675e-29 -6.08764638e-09 8.43500408e-29] [ 3.68687350e-29 6.08764638e-09 -8.43500408e-29] [-3.11079952e-29 -6.08764638e-09 4.21750204e-29] [ 3.68687350e-29 6.08764638e-09 -4.21750204e-29] [-3.79235715e-09 -8.96618079e-09 4.21750204e-29] [ 3.79235715e-09 8.96618079e-09 -4.21750204e-29] [ 3.79235715e-09 -8.96618079e-09 0.00000000e+00] [-3.79235715e-09 8.96618079e-09 -2.10875102e-29] [-3.79235715e-09 -8.96618079e-09 8.43500408e-29] [ 3.79235715e-09 8.96618079e-09 -8.43500408e-29] [ 3.79235715e-09 -8.96618079e-09 0.00000000e+00] [-3.79235715e-09 8.96618079e-09 0.00000000e+00] [ 2.60751984e-09 -1.51908151e-10 0.00000000e+00] [-2.60751984e-09 1.51908151e-10 0.00000000e+00] [-2.60751984e-09 -1.51908151e-10 0.00000000e+00] [ 2.60751984e-09 1.51908151e-10 0.00000000e+00] [ 2.60751984e-09 -1.51908151e-10 -2.10875102e-29] [-2.60751984e-09 1.51908151e-10 2.10875102e-29] [-2.60751984e-09 -1.51908151e-10 -2.10875102e-29] [ 2.60751984e-09 1.51908151e-10 2.10875102e-29]] stress = [-4.41867214e-10 1.43543269e-10 -3.96507786e-12 0.00000000e+00 0.00000000e+00 -1.76903915e-45] energy per atom = -25.342754374470793 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0