element(s): ['O', 'P'] AFLOW prototype label: A2B_mC48_15_2e3f_2f Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y1', '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: ['9.9738', '1.0586336', '0.73534661', '82.5225', '0.37973742', '0.04128251', '0.59141584', '0.29167574', '0.5221326', '0.65798696', '0.2904183', '0.8439076', '0.25233968', '0.96564056', '0.61325299', '0.53854363', '0.18677358', '0.93956661', '0.13882294', '0.88278211', '0.67628171'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'P', 'P'] representative atom coordinates = [[0. 0.62026258 0.25 ] [0. 0.95871749 0.25 ] [0.40858416 0.29167574 0.4778674 ] [0.34201304 0.2904183 0.1560924 ] [0.74766032 0.96564056 0.38674701] [0.46145637 0.18677358 0.06043339] [0.86117706 0.88278211 0.32371829]] spacegroup = 15 cell = [[9.9738, 0, 0], [0, 10.5586, 0], [0.95444963157671, 0, 7.2718302744758]] ========================================= Step Time Energy fmax BFGS: 0 09:35:04 -198.610809 209.357795 BFGS: 1 09:35:05 -287.827963 70.628806 BFGS: 2 09:35:05 -318.481580 63.758826 BFGS: 3 09:35:05 -329.786467 57.025525 BFGS: 4 09:35:05 -345.476328 39.766569 BFGS: 5 09:35:05 -355.900112 31.855289 BFGS: 6 09:35:05 -363.766269 27.509630 BFGS: 7 09:35:05 -372.141988 23.840312 BFGS: 8 09:35:05 -380.290984 21.321371 BFGS: 9 09:35:05 -388.332528 19.423429 BFGS: 10 09:35:05 -396.586544 17.432167 BFGS: 11 09:35:05 -404.164042 15.016648 BFGS: 12 09:35:05 -410.822166 14.851990 BFGS: 13 09:35:05 -416.631589 15.539425 BFGS: 14 09:35:05 -421.485515 14.851821 BFGS: 15 09:35:06 -425.628708 13.304440 BFGS: 16 09:35:06 -429.813381 13.326434 BFGS: 17 09:35:06 -433.898947 12.870545 BFGS: 18 09:35:06 -438.015225 11.747146 BFGS: 19 09:35:06 -441.609777 9.709499 BFGS: 20 09:35:06 -444.354213 7.630242 BFGS: 21 09:35:06 -446.280754 7.654276 BFGS: 22 09:35:06 -447.626911 7.655295 BFGS: 23 09:35:06 -448.684416 7.622347 BFGS: 24 09:35:06 -449.538629 7.564614 BFGS: 25 09:35:06 -450.270747 7.500034 BFGS: 26 09:35:06 -450.920799 7.425332 BFGS: 27 09:35:06 -451.526209 7.345942 BFGS: 28 09:35:07 -452.106007 7.252098 BFGS: 29 09:35:07 -452.672339 7.148936 BFGS: 30 09:35:07 -453.231170 7.037511 BFGS: 31 09:35:07 -453.786376 6.914163 BFGS: 32 09:35:07 -454.338891 6.786513 BFGS: 33 09:35:07 -454.890925 6.650433 BFGS: 34 09:35:07 -455.442474 6.507364 BFGS: 35 09:35:07 -455.994151 6.356888 BFGS: 36 09:35:07 -456.545927 6.200198 BFGS: 37 09:35:07 -457.098248 6.036310 BFGS: 38 09:35:08 -457.651067 5.864556 BFGS: 39 09:35:08 -458.209105 5.686110 BFGS: 40 09:35:08 -458.772016 5.502520 BFGS: 41 09:35:08 -459.345817 5.313502 BFGS: 42 09:35:08 -459.937657 5.119985 BFGS: 43 09:35:08 -460.556698 4.921957 BFGS: 44 09:35:08 -461.213787 4.721074 BFGS: 45 09:35:08 -461.921542 4.518055 BFGS: 46 09:35:08 -462.693392 4.316357 BFGS: 47 09:35:08 -463.543260 4.274277 BFGS: 48 09:35:08 -464.482087 4.225482 BFGS: 49 09:35:09 -465.519648 4.110286 BFGS: 50 09:35:09 -466.653541 4.193175 BFGS: 51 09:35:09 -467.881504 4.304616 BFGS: 52 09:35:09 -469.185119 4.440029 BFGS: 53 09:35:09 -470.548291 4.585809 BFGS: 54 09:35:09 -471.948687 4.755634 BFGS: 55 09:35:09 -473.374333 4.935501 BFGS: 56 09:35:09 -474.810941 5.127891 BFGS: 57 09:35:10 -476.265901 5.322629 BFGS: 58 09:35:10 -477.755005 5.535912 BFGS: 59 09:35:10 -479.329706 5.775180 BFGS: 60 09:35:10 -481.021034 6.058778 BFGS: 61 09:35:10 -482.905967 6.361925 BFGS: 62 09:35:10 -485.039237 6.726833 BFGS: 63 09:35:10 -487.494555 7.060796 BFGS: 64 09:35:10 -490.264230 7.433651 BFGS: 65 09:35:10 -493.129486 7.480366 BFGS: 66 09:35:10 -495.716674 7.360255 BFGS: 67 09:35:10 -497.703569 7.117079 BFGS: 68 09:35:11 -499.581759 6.946615 BFGS: 69 09:35:11 -501.515219 6.793905 BFGS: 70 09:35:11 -503.312012 8.545453 BFGS: 71 09:35:11 -507.067847 7.614633 BFGS: 72 09:35:11 -511.499812 9.086802 BFGS: 73 09:35:11 -516.946406 10.653027 BFGS: 74 09:35:11 -523.006218 12.133112 BFGS: 75 09:35:11 -529.637269 13.049655 BFGS: 76 09:35:11 -536.156166 12.209970 BFGS: 77 09:35:11 -541.362019 9.209384 BFGS: 78 09:35:11 -543.641368 9.151905 BFGS: 79 09:35:11 -545.277941 9.063316 BFGS: 80 09:35:11 -546.694997 8.986802 BFGS: 81 09:35:11 -547.977411 8.896370 BFGS: 82 09:35:11 -549.182320 8.814229 BFGS: 83 09:35:11 -550.320792 8.715822 BFGS: 84 09:35:11 -551.419237 8.634054 BFGS: 85 09:35:11 -552.472407 8.528809 BFGS: 86 09:35:11 -553.503390 8.441266 BFGS: 87 09:35:12 -554.501678 8.333933 BFGS: 88 09:35:12 -555.486856 8.247960 BFGS: 89 09:35:12 -556.449096 8.149020 BFGS: 90 09:35:12 -557.404083 8.070461 BFGS: 91 09:35:12 -558.347694 7.987883 BFGS: 92 09:35:12 -559.290313 7.918554 BFGS: 93 09:35:12 -560.232776 7.859023 BFGS: 94 09:35:12 -561.186476 7.801180 BFGS: 95 09:35:12 -562.161870 7.757419 BFGS: 96 09:35:12 -563.178238 7.731961 BFGS: 97 09:35:12 -564.250586 7.730454 BFGS: 98 09:35:12 -565.399560 7.756761 BFGS: 99 09:35:12 -566.633756 7.809176 BFGS: 100 09:35:12 -567.961964 7.889642 BFGS: 101 09:35:12 -569.390234 7.987907 BFGS: 102 09:35:12 -570.921459 8.107424 BFGS: 103 09:35:12 -572.561202 8.238951 BFGS: 104 09:35:12 -574.314346 8.380779 BFGS: 105 09:35:12 -576.189295 8.534018 BFGS: 106 09:35:12 -578.191424 8.698141 BFGS: 107 09:35:12 -580.321933 8.870487 BFGS: 108 09:35:12 -582.580458 9.039447 BFGS: 109 09:35:12 -584.963677 9.211238 BFGS: 110 09:35:12 -587.459107 9.366094 BFGS: 111 09:35:12 -590.047011 9.518995 BFGS: 112 09:35:12 -592.683329 9.625204 BFGS: 113 09:35:12 -595.340029 9.723568 BFGS: 114 09:35:12 -597.924157 9.732416 BFGS: 115 09:35:13 -600.506119 9.905588 BFGS: 116 09:35:13 -603.052751 9.994662 BFGS: 117 09:35:13 -605.518216 10.050242 BFGS: 118 09:35:13 -607.894851 10.079046 BFGS: 119 09:35:13 -610.179991 10.085323 BFGS: 120 09:35:13 -612.382124 10.076359 BFGS: 121 09:35:13 -614.510086 10.107166 BFGS: 122 09:35:13 -616.580392 10.431707 BFGS: 123 09:35:13 -618.605173 10.753065 BFGS: 124 09:35:13 -620.595372 11.070032 BFGS: 125 09:35:13 -622.564157 11.385706 BFGS: 126 09:35:13 -624.516812 11.697667 BFGS: 127 09:35:13 -626.460569 12.009497 BFGS: 128 09:35:13 -628.399858 12.326276 BFGS: 129 09:35:13 -630.345424 12.688718 BFGS: 130 09:35:13 -632.316978 13.112016 BFGS: 131 09:35:13 -634.309233 13.622361 BFGS: 132 09:35:13 -636.259463 14.232334 BFGS: 133 09:35:13 -638.052474 14.876180 BFGS: 134 09:35:13 -639.636236 15.441424 BFGS: 135 09:35:13 -641.073741 15.859020 BFGS: 136 09:35:13 -642.443948 16.159051 BFGS: 137 09:35:13 -643.787394 16.380768 BFGS: 138 09:35:13 -645.122112 16.545926 BFGS: 139 09:35:13 -646.455297 16.663083 BFGS: 140 09:35:13 -647.790722 16.735393 BFGS: 141 09:35:13 -649.128093 16.762191 BFGS: 142 09:35:13 -650.465632 16.741647 BFGS: 143 09:35:13 -651.798944 16.669419 BFGS: 144 09:35:14 -653.125191 16.547193 BFGS: 145 09:35:14 -654.442550 16.371141 BFGS: 146 09:35:14 -655.748617 16.145365 BFGS: 147 09:35:14 -657.033191 15.876096 BFGS: 148 09:35:14 -658.267656 15.569901 BFGS: 149 09:35:14 -659.453635 15.239637 BFGS: 150 09:35:14 -660.593024 14.887670 BFGS: 151 09:35:14 -661.689831 14.525765 BFGS: 152 09:35:14 -662.747205 14.162971 BFGS: 153 09:35:14 -663.768838 13.801579 BFGS: 154 09:35:14 -664.757673 13.448812 BFGS: 155 09:35:14 -665.718897 13.103905 BFGS: 156 09:35:14 -666.656771 12.767425 BFGS: 157 09:35:14 -667.572605 12.443294 BFGS: 158 09:35:14 -668.469912 12.135052 BFGS: 159 09:35:14 -669.347548 11.832095 BFGS: 160 09:35:14 -670.210528 11.536579 BFGS: 161 09:35:14 -671.063334 11.251023 BFGS: 162 09:35:14 -671.906733 10.972482 BFGS: 163 09:35:14 -672.744202 10.948286 BFGS: 164 09:35:14 -673.586970 11.003188 BFGS: 165 09:35:14 -674.448709 11.059613 BFGS: 166 09:35:14 -675.350160 11.117726 BFGS: 167 09:35:14 -676.322244 11.182019 BFGS: 168 09:35:14 -677.385082 11.253220 BFGS: 169 09:35:14 -678.583661 11.330497 BFGS: 170 09:35:14 -679.961675 11.409703 BFGS: 171 09:35:14 -681.595981 11.478621 BFGS: 172 09:35:15 -683.575612 11.504791 BFGS: 173 09:35:15 -685.926990 11.404604 BFGS: 174 09:35:15 -688.465833 11.073632 BFGS: 175 09:35:15 -691.154820 10.300291 BFGS: 176 09:35:15 -693.857391 8.833637 BFGS: 177 09:35:15 -696.090778 7.381518 BFGS: 178 09:35:15 -697.773222 7.464863 BFGS: 179 09:35:15 -699.111985 6.872798 BFGS: 180 09:35:15 -700.160331 8.202879 BFGS: 181 09:35:15 -701.112687 9.506895 BFGS: 182 09:35:15 -701.937143 10.413031 BFGS: 183 09:35:15 -702.733779 11.244394 BFGS: 184 09:35:15 -703.499545 11.957090 BFGS: 185 09:35:15 -704.276303 12.657854 BFGS: 186 09:35:15 -705.072417 13.369278 BFGS: 187 09:35:15 -705.904559 14.091802 BFGS: 188 09:35:15 -706.796742 14.840135 BFGS: 189 09:35:15 -707.776692 15.609520 BFGS: 190 09:35:15 -708.890063 16.427909 BFGS: 191 09:35:15 -710.205917 17.274517 BFGS: 192 09:35:15 -711.846138 18.206885 BFGS: 193 09:35:15 -714.055604 19.168859 BFGS: 194 09:35:15 -717.081333 20.158460 BFGS: 195 09:35:15 -720.416099 20.812267 BFGS: 196 09:35:15 -724.051460 21.292543 BFGS: 197 09:35:15 -727.883411 21.509067 BFGS: 198 09:35:15 -731.802416 21.648553 BFGS: 199 09:35:16 -735.707201 21.658503 BFGS: 200 09:35:16 -739.523104 21.671912 BFGS: 201 09:35:16 -743.177411 21.658105 BFGS: 202 09:35:16 -746.642808 21.678041 BFGS: 203 09:35:16 -749.893155 21.720128 BFGS: 204 09:35:16 -752.917344 21.801858 BFGS: 205 09:35:16 -755.718397 21.917169 BFGS: 206 09:35:16 -758.303625 22.072359 BFGS: 207 09:35:16 -760.696293 22.253307 BFGS: 208 09:35:16 -762.908057 22.454830 BFGS: 209 09:35:16 -765.018411 22.671232 BFGS: 210 09:35:16 -770.670503 22.466850 BFGS: 211 09:35:16 -773.633636 22.069015 BFGS: 212 09:35:16 -778.069618 21.475509 BFGS: 213 09:35:16 -780.899836 21.076231 BFGS: 214 09:35:16 -784.410420 20.442248 BFGS: 215 09:35:16 -787.068883 20.043179 BFGS: 216 09:35:16 -790.156861 19.448816 BFGS: 217 09:35:16 -792.669967 19.049449 BFGS: 218 09:35:16 -795.527442 18.492435 BFGS: 219 09:35:16 -797.951585 18.086448 BFGS: 220 09:35:16 -800.201456 17.654761 BFGS: 221 09:35:16 -802.465212 17.266038 BFGS: 222 09:35:16 -804.311797 16.921489 BFGS: 223 09:35:17 -806.115704 16.612382 BFGS: 224 09:35:17 -807.748958 16.325947 BFGS: 225 09:35:17 -809.324723 16.063392 BFGS: 226 09:35:17 -810.832067 15.818501 BFGS: 227 09:35:17 -812.295050 15.588589 BFGS: 228 09:35:17 -813.722768 15.373353 BFGS: 229 09:35:17 -815.124565 15.172238 BFGS: 230 09:35:17 -816.508486 14.978401 BFGS: 231 09:35:17 -817.878671 14.791871 BFGS: 232 09:35:17 -819.239398 14.611983 BFGS: 233 09:35:17 -820.594223 14.436146 BFGS: 234 09:35:17 -821.945090 14.261472 BFGS: 235 09:35:17 -823.296711 14.086862 BFGS: 236 09:35:17 -824.647442 13.909422 BFGS: 237 09:35:17 -825.998968 13.726676 BFGS: 238 09:35:17 -827.335678 13.537999 BFGS: 239 09:35:17 -828.654252 13.344118 BFGS: 240 09:35:17 -829.943503 13.145006 BFGS: 241 09:35:17 -831.202844 12.939694 BFGS: 242 09:35:18 -832.424520 12.729881 BFGS: 243 09:35:18 -833.597186 12.518172 BFGS: 244 09:35:18 -834.722713 12.307380 BFGS: 245 09:35:18 -835.815417 12.091323 BFGS: 246 09:35:18 -836.889985 11.866483 BFGS: 247 09:35:18 -837.962663 11.625402 BFGS: 248 09:35:18 -839.047544 11.500702 BFGS: 249 09:35:18 -840.153890 11.404279 BFGS: 250 09:35:18 -841.276688 11.301545 BFGS: 251 09:35:18 -842.407099 11.186885 BFGS: 252 09:35:18 -843.528686 11.067364 BFGS: 253 09:35:18 -844.625702 10.935613 BFGS: 254 09:35:18 -845.694284 10.798547 BFGS: 255 09:35:19 -846.733570 10.654122 BFGS: 256 09:35:19 -847.745940 10.506889 BFGS: 257 09:35:19 -848.731534 10.351258 BFGS: 258 09:35:19 -849.690590 10.188461 BFGS: 259 09:35:19 -850.621109 10.021120 BFGS: 260 09:35:19 -851.521183 9.848725 BFGS: 261 09:35:19 -852.387725 9.677558 BFGS: 262 09:35:19 -853.221755 9.495421 BFGS: 263 09:35:19 -854.022044 9.316166 BFGS: 264 09:35:19 -854.787490 9.132361 BFGS: 265 09:35:19 -855.518971 8.945413 BFGS: 266 09:35:19 -856.218174 8.765052 BFGS: 267 09:35:19 -856.885175 8.583828 BFGS: 268 09:35:19 -857.520369 8.414135 BFGS: 269 09:35:19 -858.117076 8.243220 BFGS: 270 09:35:19 -858.680237 8.089868 BFGS: 271 09:35:19 -859.213601 7.939409 BFGS: 272 09:35:19 -859.723904 7.808273 BFGS: 273 09:35:19 -860.214779 7.678010 BFGS: 274 09:35:19 -860.690392 7.566395 BFGS: 275 09:35:20 -861.153480 7.459885 BFGS: 276 09:35:20 -861.608738 7.366604 BFGS: 277 09:35:20 -862.058735 7.273515 BFGS: 278 09:35:20 -862.508475 7.198128 BFGS: 279 09:35:20 -862.956308 7.197321 BFGS: 280 09:35:20 -863.404970 7.512345 BFGS: 281 09:35:20 -863.854462 7.835968 BFGS: 282 09:35:20 -864.309544 8.145070 BFGS: 283 09:35:20 -864.771825 8.456768 BFGS: 284 09:35:20 -865.220542 8.744603 BFGS: 285 09:35:20 -865.644002 9.002824 BFGS: 286 09:35:20 -866.034151 9.217961 BFGS: 287 09:35:20 -866.398660 9.395171 BFGS: 288 09:35:20 -866.783317 9.565888 BFGS: 289 09:35:20 -867.147230 9.721243 BFGS: 290 09:35:20 -867.485264 9.844125 BFGS: 291 09:35:20 -867.847020 9.970666 BFGS: 292 09:35:20 -868.192598 10.084107 BFGS: 293 09:35:21 -868.509456 10.163773 BFGS: 294 09:35:21 -868.875297 10.278832 BFGS: 295 09:35:21 -869.239043 10.393077 BFGS: 296 09:35:21 -869.601907 10.505324 BFGS: 297 09:35:21 -869.963438 10.611904 BFGS: 298 09:35:21 -870.323555 10.708471 BFGS: 299 09:35:21 -870.682771 10.801644 BFGS: 300 09:35:21 -871.039482 10.885990 BFGS: 301 09:35:21 -871.392827 10.960222 BFGS: 302 09:35:21 -871.742621 11.022552 BFGS: 303 09:35:21 -872.089434 11.077848 BFGS: 304 09:35:21 -872.432535 11.122159 BFGS: 305 09:35:21 -872.770432 11.156322 BFGS: 306 09:35:21 -873.103953 11.180073 BFGS: 307 09:35:21 -873.433650 11.198420 BFGS: 308 09:35:21 -873.759360 11.207624 BFGS: 309 09:35:22 -874.081997 11.211632 BFGS: 310 09:35:22 -874.403582 11.210495 BFGS: 311 09:35:22 -874.722289 11.205590 BFGS: 312 09:35:22 -875.033455 11.183260 BFGS: 313 09:35:22 -875.345974 11.161407 BFGS: 314 09:35:22 -875.660357 11.137628 BFGS: 315 09:35:22 -875.990265 11.141609 BFGS: 316 09:35:22 -876.337646 11.153138 BFGS: 317 09:35:22 -876.712972 11.185882 BFGS: 318 09:35:22 -877.015276 11.297626 BFGS: 319 09:35:22 -877.466134 11.340540 BFGS: 320 09:35:22 -877.958028 11.400952 BFGS: 321 09:35:22 -878.498064 11.470391 BFGS: 322 09:35:22 -879.087214 11.543556 BFGS: 323 09:35:22 -879.681724 11.610350 BFGS: 324 09:35:22 -880.273525 11.667422 BFGS: 325 09:35:22 -880.879026 11.711302 BFGS: 326 09:35:22 -881.497425 11.745895 BFGS: 327 09:35:22 -882.134772 11.769279 BFGS: 328 09:35:22 -882.794726 11.780269 BFGS: 329 09:35:23 -883.477808 11.780849 BFGS: 330 09:35:23 -884.188616 11.774372 BFGS: 331 09:35:23 -884.926396 11.748951 BFGS: 332 09:35:23 -885.696152 11.712279 BFGS: 333 09:35:23 -886.501885 11.662370 BFGS: 334 09:35:23 -887.337608 11.599228 BFGS: 335 09:35:23 -888.215220 11.523276 BFGS: 336 09:35:23 -889.130265 11.430785 BFGS: 337 09:35:23 -890.085741 11.324119 BFGS: 338 09:35:23 -891.086953 11.202200 BFGS: 339 09:35:23 -892.135049 11.064354 BFGS: 340 09:35:23 -893.236237 10.910408 BFGS: 341 09:35:23 -894.389217 10.739519 BFGS: 342 09:35:23 -895.599569 10.552404 BFGS: 343 09:35:23 -896.870633 10.348722 BFGS: 344 09:35:23 -898.206958 10.145342 BFGS: 345 09:35:23 -899.608873 10.391345 BFGS: 346 09:35:23 -901.081190 10.646015 BFGS: 347 09:35:23 -902.619960 10.913635 BFGS: 348 09:35:23 -904.240388 11.198292 BFGS: 349 09:35:23 -905.946614 11.496268 BFGS: 350 09:35:23 -907.728417 11.800764 BFGS: 351 09:35:23 -909.590983 12.110459 BFGS: 352 09:35:23 -911.533116 12.428234 BFGS: 353 09:35:24 -913.553702 12.752529 BFGS: 354 09:35:24 -915.651381 13.078178 BFGS: 355 09:35:24 -917.828617 13.414378 BFGS: 356 09:35:24 -920.070037 13.745637 BFGS: 357 09:35:24 -922.373594 14.081068 BFGS: 358 09:35:24 -924.737046 14.407128 BFGS: 359 09:35:24 -927.156103 14.737730 BFGS: 360 09:35:24 -929.619021 15.047887 BFGS: 361 09:35:24 -932.112105 15.343643 BFGS: 362 09:35:24 -934.640239 15.625594 BFGS: 363 09:35:24 -937.200828 15.900957 BFGS: 364 09:35:24 -939.794692 16.153932 BFGS: 365 09:35:24 -942.429737 16.398962 BFGS: 366 09:35:24 -945.108303 16.627387 BFGS: 367 09:35:24 -947.834565 16.858550 BFGS: 368 09:35:24 -950.576682 17.077346 BFGS: 369 09:35:24 -953.315497 17.290878 BFGS: 370 09:35:24 -956.020392 17.483510 BFGS: 371 09:35:24 -958.668504 17.659457 BFGS: 372 09:35:24 -961.191792 17.814449 BFGS: 373 09:35:24 -963.493274 17.948276 BFGS: 374 09:35:24 -965.617351 18.055575 BFGS: 375 09:35:25 -967.760626 18.131940 BFGS: 376 09:35:25 -970.091818 18.210599 BFGS: 377 09:35:25 -972.337924 18.276440 BFGS: 378 09:35:25 -974.497981 18.315612 BFGS: 379 09:35:25 -976.589031 18.343493 BFGS: 380 09:35:25 -978.619469 18.350454 BFGS: 381 09:35:25 -980.596503 18.342670 BFGS: 382 09:35:25 -982.526013 18.321399 BFGS: 383 09:35:25 -984.413810 18.286486 BFGS: 384 09:35:25 -986.267030 18.241878 BFGS: 385 09:35:25 -988.087395 18.193293 BFGS: 386 09:35:25 -989.878414 18.138766 BFGS: 387 09:35:25 -991.643028 18.067770 BFGS: 388 09:35:25 -993.387128 17.990212 BFGS: 389 09:35:25 -995.116546 17.912793 BFGS: 390 09:35:25 -996.828373 17.823525 BFGS: 391 09:35:25 -998.526993 17.729619 BFGS: 392 09:35:25 -1000.214687 17.644594 BFGS: 393 09:35:26 -1001.891869 17.542528 BFGS: 394 09:35:26 -1003.561862 17.438103 BFGS: 395 09:35:26 -1005.226258 17.335627 BFGS: 396 09:35:26 -1006.882301 17.226042 BFGS: 397 09:35:26 -1008.532733 17.114744 BFGS: 398 09:35:26 -1010.178150 17.009183 BFGS: 399 09:35:26 -1011.816459 16.895358 BFGS: 400 09:35:26 -1013.450624 16.783078 BFGS: 401 09:35:26 -1015.082603 16.667400 BFGS: 402 09:35:26 -1016.711723 16.551548 BFGS: 403 09:35:27 -1018.334445 16.435268 BFGS: 404 09:35:27 -1019.952883 16.319610 BFGS: 405 09:35:27 -1021.564669 16.203563 BFGS: 406 09:35:27 -1023.170140 16.091668 BFGS: 407 09:35:27 -1024.765980 15.976764 BFGS: 408 09:35:27 -1026.354466 15.862821 BFGS: 409 09:35:27 -1027.935287 15.755507 BFGS: 410 09:35:28 -1029.506813 15.644029 BFGS: 411 09:35:28 -1031.070188 15.543424 BFGS: 412 09:35:28 -1032.625660 15.436911 BFGS: 413 09:35:28 -1034.172050 15.330245 BFGS: 414 09:35:28 -1035.707854 15.229447 BFGS: 415 09:35:28 -1037.232378 15.126019 BFGS: 416 09:35:28 -1038.745895 15.028877 BFGS: 417 09:35:29 -1040.247648 14.943915 BFGS: 418 09:35:29 -1041.730041 14.851106 BFGS: 419 09:35:29 -1043.199748 14.756032 BFGS: 420 09:35:29 -1044.658221 14.662762 BFGS: 421 09:35:29 -1046.103535 14.573461 BFGS: 422 09:35:29 -1047.536675 14.483777 BFGS: 423 09:35:29 -1048.955991 14.397064 BFGS: 424 09:35:30 -1050.360367 14.311846 BFGS: 425 09:35:30 -1051.749706 14.232575 BFGS: 426 09:35:30 -1053.123318 14.151947 BFGS: 427 09:35:30 -1054.480209 14.074211 BFGS: 428 09:35:30 -1055.819528 14.002285 BFGS: 429 09:35:30 -1057.139472 13.937055 BFGS: 430 09:35:30 -1058.441695 13.873613 BFGS: 431 09:35:30 -1059.725950 13.810402 BFGS: 432 09:35:31 -1060.989171 13.749543 BFGS: 433 09:35:31 -1062.230635 13.884069 BFGS: 434 09:35:31 -1063.456263 14.063696 BFGS: 435 09:35:31 -1064.658465 14.254637 BFGS: 436 09:35:31 -1065.838086 14.417716 BFGS: 437 09:35:31 -1066.997560 14.597113 BFGS: 438 09:35:31 -1068.133901 14.746184 BFGS: 439 09:35:32 -1069.250786 14.914692 BFGS: 440 09:35:32 -1070.342500 15.051674 BFGS: 441 09:35:32 -1071.417040 15.210294 BFGS: 442 09:35:32 -1072.469150 15.333403 BFGS: 443 09:35:32 -1073.505536 15.484509 BFGS: 444 09:35:32 -1074.520913 15.594910 BFGS: 445 09:35:32 -1075.522276 15.737980 BFGS: 446 09:35:33 -1076.504598 15.839390 BFGS: 447 09:35:33 -1077.474326 15.974020 BFGS: 448 09:35:33 -1078.427199 16.072168 BFGS: 449 09:35:33 -1079.370673 16.196260 BFGS: 450 09:35:33 -1080.301141 16.293548 BFGS: 451 09:35:33 -1081.224513 16.402862 BFGS: 452 09:35:33 -1082.139107 16.507676 BFGS: 453 09:35:34 -1083.051894 16.612647 BFGS: 454 09:35:34 -1083.960658 16.711857 BFGS: 455 09:35:34 -1084.868026 16.810153 BFGS: 456 09:35:34 -1085.772663 16.904205 BFGS: 457 09:35:34 -1086.678733 16.997015 BFGS: 458 09:35:34 -1087.587714 17.088556 BFGS: 459 09:35:34 -1088.500535 17.172213 BFGS: 460 09:35:35 -1089.419186 17.255048 BFGS: 461 09:35:35 -1090.346826 17.331576 BFGS: 462 09:35:35 -1091.285144 17.406105 BFGS: 463 09:35:35 -1092.231985 17.474093 BFGS: 464 09:35:35 -1093.190395 17.540949 BFGS: 465 09:35:35 -1094.161080 17.597946 BFGS: 466 09:35:35 -1095.156199 17.647625 BFGS: 467 09:35:35 -1096.165391 17.699756 BFGS: 468 09:35:36 -1097.191266 17.739201 BFGS: 469 09:35:36 -1098.235062 17.779552 BFGS: 470 09:35:36 -1099.298900 17.806170 BFGS: 471 09:35:36 -1100.381814 17.835366 BFGS: 472 09:35:36 -1101.484834 17.854151 BFGS: 473 09:35:36 -1102.609294 17.865181 BFGS: 474 09:35:36 -1103.756659 17.873028 BFGS: 475 09:35:37 -1104.925948 17.866526 BFGS: 476 09:35:37 -1106.119168 17.862345 BFGS: 477 09:35:37 -1107.335814 17.843019 BFGS: 478 09:35:37 -1108.577836 17.822299 BFGS: 479 09:35:37 -1109.844753 17.789022 BFGS: 480 09:35:37 -1111.139772 17.748753 BFGS: 481 09:35:37 -1112.461048 17.696373 BFGS: 482 09:35:38 -1113.811105 17.637290 BFGS: 483 09:35:38 -1115.190403 17.570882 BFGS: 484 09:35:38 -1116.599449 17.495868 BFGS: 485 09:35:38 -1118.037125 17.408510 BFGS: 486 09:35:38 -1119.505813 17.312484 BFGS: 487 09:35:38 -1121.005543 17.204726 BFGS: 488 09:35:38 -1122.536777 17.090433 BFGS: 489 09:35:39 -1124.099584 16.965108 BFGS: 490 09:35:39 -1125.695765 16.829648 BFGS: 491 09:35:39 -1127.325254 16.684212 BFGS: 492 09:35:39 -1128.988322 16.528725 BFGS: 493 09:35:39 -1130.686597 16.361341 BFGS: 494 09:35:39 -1132.419908 16.187229 BFGS: 495 09:35:40 -1134.187188 15.999212 BFGS: 496 09:35:40 -1135.991026 15.804664 BFGS: 497 09:35:40 -1137.830526 15.595466 BFGS: 498 09:35:40 -1139.707979 15.382388 BFGS: 499 09:35:40 -1141.622834 15.152731 BFGS: 500 09:35:40 -1143.576994 14.922317 BFGS: 501 09:35:40 -1145.568540 14.672339 BFGS: 502 09:35:41 -1147.599049 14.417670 BFGS: 503 09:35:41 -1149.669384 14.403660 BFGS: 504 09:35:41 -1151.780891 14.522532 BFGS: 505 09:35:41 -1153.931125 14.650927 BFGS: 506 09:35:41 -1156.123940 14.771188 BFGS: 507 09:35:41 -1158.357997 14.901588 BFGS: 508 09:35:42 -1160.636013 15.033529 BFGS: 509 09:35:42 -1162.954893 15.173299 BFGS: 510 09:35:42 -1165.318597 15.319142 BFGS: 511 09:35:42 -1167.722304 15.474357 BFGS: 512 09:35:42 -1170.157801 15.632934 BFGS: 513 09:35:42 -1172.596379 15.797583 BFGS: 514 09:35:43 -1175.054500 15.957675 BFGS: 515 09:35:43 -1177.501669 16.119376 BFGS: 516 09:35:43 -1179.973314 16.281639 BFGS: 517 09:35:43 -1182.431631 16.447931 BFGS: 518 09:35:43 -1184.928400 16.607588 BFGS: 519 09:35:44 -1187.379455 16.784949 BFGS: 520 09:35:44 -1189.950499 16.931749 BFGS: 521 09:35:44 -1192.583895 17.040513 BFGS: 522 09:35:44 -1195.078869 17.207112 BFGS: 523 09:35:45 -1197.709156 17.312875 BFGS: 524 09:35:45 -1199.776255 17.217479 BFGS: 525 09:35:45 -1202.576793 17.419699 BFGS: 526 09:35:45 -1205.318131 17.579505 BFGS: 527 09:35:46 -1208.072864 17.736689 BFGS: 528 09:35:46 -1210.809232 17.881575 BFGS: 529 09:35:46 -1213.540107 18.020830 BFGS: 530 09:35:46 -1216.267225 18.155050 BFGS: 531 09:35:47 -1218.993007 18.285345 BFGS: 532 09:35:47 -1221.716517 18.404546 BFGS: 533 09:35:47 -1224.444266 18.518069 BFGS: 534 09:35:47 -1227.175029 18.650773 BFGS: 535 09:35:48 -1229.922674 18.750358 BFGS: 536 09:35:48 -1232.670502 18.846376 BFGS: 537 09:35:48 -1235.428434 18.939025 BFGS: 538 09:35:48 -1238.194606 19.034250 BFGS: 539 09:35:49 -1240.982999 19.108596 BFGS: 540 09:35:49 -1243.780434 19.179556 BFGS: 541 09:35:49 -1246.600858 19.238523 BFGS: 542 09:35:49 -1249.435094 19.297024 BFGS: 543 09:35:49 -1252.291239 19.340826 BFGS: 544 09:35:50 -1255.140375 19.397240 BFGS: 545 09:35:50 -1257.956774 19.418256 BFGS: 546 09:35:50 -1260.746057 19.436128 BFGS: 547 09:35:50 -1263.504427 19.446918 BFGS: 548 09:35:50 -1266.232508 19.451291 BFGS: 549 09:35:51 -1268.929605 19.450191 BFGS: 550 09:35:51 -1271.597814 19.432260 BFGS: 551 09:35:51 -1274.240877 19.398766 BFGS: 552 09:35:51 -1276.855231 19.355907 BFGS: 553 09:35:51 -1279.443235 19.310170 BFGS: 554 09:35:52 -1282.008972 19.256144 BFGS: 555 09:35:52 -1284.551438 19.183490 BFGS: 556 09:35:52 -1287.072447 19.108986 BFGS: 557 09:35:52 -1289.571647 19.032361 BFGS: 558 09:35:53 -1292.055340 18.926277 BFGS: 559 09:35:53 -1294.513809 18.809417 BFGS: 560 09:35:53 -1296.950198 18.683262 BFGS: 561 09:35:53 -1299.364190 18.556876 BFGS: 562 09:35:53 -1301.754437 18.410553 BFGS: 563 09:35:54 -1304.121808 18.254507 BFGS: 564 09:35:54 -1306.468366 18.094819 BFGS: 565 09:35:54 -1308.789646 17.907357 BFGS: 566 09:35:54 -1311.090491 17.715935 BFGS: 567 09:35:54 -1313.365819 17.520345 BFGS: 568 09:35:54 -1315.617195 17.309397 BFGS: 569 09:35:55 -1317.845354 17.077170 BFGS: 570 09:35:55 -1320.049958 16.868164 BFGS: 571 09:35:55 -1322.232419 17.134728 BFGS: 572 09:35:55 -1324.391934 17.392964 BFGS: 573 09:35:55 -1326.526716 17.660635 BFGS: 574 09:35:55 -1328.639438 17.914435 BFGS: 575 09:35:55 -1330.729487 18.175361 BFGS: 576 09:35:55 -1332.797927 18.426070 BFGS: 577 09:35:56 -1334.846323 18.684849 BFGS: 578 09:35:56 -1336.872950 18.926999 BFGS: 579 09:35:56 -1338.877492 19.181050 BFGS: 580 09:35:56 -1340.868102 19.414058 BFGS: 581 09:35:56 -1342.825372 19.659965 BFGS: 582 09:35:56 -1344.728379 19.873521 BFGS: 583 09:35:56 -1346.587973 20.104661 BFGS: 584 09:35:57 -1348.395507 20.297544 BFGS: 585 09:35:57 -1350.169178 20.515169 BFGS: 586 09:35:57 -1351.896247 20.686792 BFGS: 587 09:35:57 -1353.595320 20.889416 BFGS: 588 09:35:57 -1355.253003 21.041560 BFGS: 589 09:35:57 -1356.886246 21.229399 BFGS: 590 09:35:57 -1358.482630 21.365693 BFGS: 591 09:35:57 -1360.061610 21.532560 BFGS: 592 09:35:57 -1361.607359 21.655217 BFGS: 593 09:35:58 -1363.134313 21.802263 BFGS: 594 09:35:58 -1364.637134 21.914223 BFGS: 595 09:35:58 -1366.124747 22.043128 BFGS: 596 09:35:58 -1367.591432 22.142952 BFGS: 597 09:35:58 -1369.046016 22.253738 BFGS: 598 09:35:58 -1370.483782 22.341161 BFGS: 599 09:35:59 -1371.910847 22.435699 BFGS: 600 09:35:59 -1373.326256 22.511607 BFGS: 601 09:35:59 -1374.730864 22.590256 BFGS: 602 09:35:59 -1376.127406 22.653731 BFGS: 603 09:35:59 -1377.514002 22.717608 BFGS: 604 09:36:00 -1378.894792 22.768512 BFGS: 605 09:36:00 -1380.267308 22.818799 BFGS: 606 09:36:00 -1381.636701 22.858016 BFGS: 607 09:36:00 -1382.998655 22.894971 BFGS: 608 09:36:00 -1384.359377 22.922634 BFGS: 609 09:36:01 -1385.714758 22.949913 BFGS: 610 09:36:01 -1387.068990 22.966110 BFGS: 611 09:36:01 -1388.418295 22.977888 BFGS: 612 09:36:01 -1389.768073 22.982514 BFGS: 613 09:36:01 -1391.115481 22.983063 BFGS: 614 09:36:01 -1392.462803 22.976319 BFGS: 615 09:36:02 -1393.808606 22.966995 BFGS: 616 09:36:02 -1395.153834 22.949100 BFGS: 617 09:36:02 -1396.498892 22.928576 BFGS: 618 09:36:02 -1397.844149 22.897211 BFGS: 619 09:36:03 -1399.189790 22.866355 BFGS: 620 09:36:03 -1400.536025 22.828243 BFGS: 621 09:36:03 -1401.881983 22.787073 BFGS: 622 09:36:03 -1403.228485 22.738284 BFGS: 623 09:36:03 -1404.576757 22.687826 BFGS: 624 09:36:04 -1405.924327 22.630383 BFGS: 625 09:36:04 -1407.272111 22.570698 BFGS: 626 09:36:04 -1408.620978 22.501929 BFGS: 627 09:36:04 -1409.970128 22.432803 BFGS: 628 09:36:04 -1411.319677 22.353688 BFGS: 629 09:36:04 -1412.669331 22.274008 BFGS: 630 09:36:04 -1414.017498 22.185624 BFGS: 631 09:36:04 -1415.366891 22.098943 BFGS: 632 09:36:05 -1416.716089 21.999381 BFGS: 633 09:36:05 -1418.064825 21.903515 BFGS: 634 09:36:05 -1419.413221 21.794895 BFGS: 635 09:36:05 -1420.760178 21.689674 BFGS: 636 09:36:05 -1422.105982 21.571466 BFGS: 637 09:36:05 -1423.450111 21.456711 BFGS: 638 09:36:05 -1424.792803 21.327360 BFGS: 639 09:36:05 -1426.133457 21.204006 BFGS: 640 09:36:05 -1427.471978 21.068709 BFGS: 641 09:36:05 -1428.807865 20.935407 BFGS: 642 09:36:05 -1430.140494 20.793522 BFGS: 643 09:36:05 -1431.470922 20.651632 BFGS: 644 09:36:05 -1432.796696 20.500904 BFGS: 645 09:36:05 -1434.120370 20.350301 BFGS: 646 09:36:05 -1435.440784 20.192894 BFGS: 647 09:36:05 -1436.756314 20.035728 BFGS: 648 09:36:06 -1438.067942 19.871657 BFGS: 649 09:36:06 -1439.375107 19.706679 BFGS: 650 09:36:06 -1440.677178 19.536373 BFGS: 651 09:36:06 -1441.974425 19.364797 BFGS: 652 09:36:06 -1443.267622 19.189298 BFGS: 653 09:36:06 -1444.554992 19.013895 BFGS: 654 09:36:06 -1445.837412 18.833304 BFGS: 655 09:36:06 -1447.114092 18.650995 BFGS: 656 09:36:06 -1448.386602 18.466485 BFGS: 657 09:36:06 -1449.653400 18.427859 BFGS: 658 09:36:06 -1450.915969 18.856379 BFGS: 659 09:36:06 -1452.173394 19.294957 BFGS: 660 09:36:06 -1453.427535 19.723340 BFGS: 661 09:36:06 -1454.677269 20.169825 BFGS: 662 09:36:06 -1455.925883 20.598996 BFGS: 663 09:36:06 -1457.170573 21.048103 BFGS: 664 09:36:07 -1458.416231 21.474889 BFGS: 665 09:36:07 -1459.659507 21.926818 BFGS: 666 09:36:07 -1460.905359 22.349589 BFGS: 667 09:36:07 -1462.149979 22.802303 BFGS: 668 09:36:07 -1463.399480 23.217801 BFGS: 669 09:36:07 -1464.650632 23.664694 BFGS: 670 09:36:07 -1465.908947 24.073065 BFGS: 671 09:36:07 -1467.171464 24.510374 BFGS: 672 09:36:07 -1468.443734 24.909597 BFGS: 673 09:36:07 -1469.722520 25.335562 BFGS: 674 09:36:07 -1471.012363 25.719934 BFGS: 675 09:36:08 -1472.311338 26.130670 BFGS: 676 09:36:08 -1473.624686 26.506405 BFGS: 677 09:36:08 -1474.949866 26.898918 BFGS: 678 09:36:08 -1476.290449 27.256708 BFGS: 679 09:36:08 -1477.645295 27.625313 BFGS: 680 09:36:08 -1479.017059 27.966064 BFGS: 681 09:36:09 -1480.403626 28.309156 BFGS: 682 09:36:09 -1481.808508 28.628645 BFGS: 683 09:36:09 -1483.229719 28.944069 BFGS: 684 09:36:09 -1484.668599 29.237823 BFGS: 685 09:36:09 -1486.123801 29.528000 BFGS: 686 09:36:09 -1487.596391 29.788749 BFGS: 687 09:36:09 -1489.085104 30.039728 BFGS: 688 09:36:09 -1490.591315 30.265989 BFGS: 689 09:36:10 -1492.112292 30.480416 BFGS: 690 09:36:10 -1493.650222 30.662989 BFGS: 691 09:36:10 -1495.203032 30.829328 BFGS: 692 09:36:10 -1496.771632 30.961320 BFGS: 693 09:36:10 -1498.355890 31.068302 BFGS: 694 09:36:10 -1499.951606 31.138519 BFGS: 695 09:36:10 -1501.563831 31.174815 BFGS: 696 09:36:10 -1503.192506 31.162477 BFGS: 697 09:36:11 -1504.838007 31.106893 BFGS: 698 09:36:11 -1506.499545 30.993882 BFGS: 699 09:36:11 -1508.178751 30.823041 BFGS: 700 09:36:11 -1509.876518 30.576936 BFGS: 701 09:36:11 -1511.594929 30.258281 BFGS: 702 09:36:11 -1513.331134 29.840720 BFGS: 703 09:36:11 -1515.084204 29.333616 BFGS: 704 09:36:11 -1516.852674 28.703087 BFGS: 705 09:36:12 -1518.645793 27.948849 BFGS: 706 09:36:12 -1520.446380 27.033280 BFGS: 707 09:36:12 -1522.273902 25.954141 BFGS: 708 09:36:12 -1524.094105 24.669003 BFGS: 709 09:36:12 -1525.964706 23.148373 BFGS: 710 09:36:12 -1527.807385 21.369020 BFGS: 711 09:36:12 -1529.765596 19.225844 BFGS: 712 09:36:12 -1531.648186 18.136957 BFGS: 713 09:36:13 -1533.617344 18.002045 BFGS: 714 09:36:13 -1535.201539 17.796733 BFGS: 715 09:36:13 -1536.531990 17.534383 BFGS: 716 09:36:13 -1537.639765 17.296196 BFGS: 717 09:36:13 -1538.628913 17.069628 BFGS: 718 09:36:14 -1539.537143 16.867878 BFGS: 719 09:36:14 -1540.392065 16.667966 BFGS: 720 09:36:14 -1541.207760 16.479393 BFGS: 721 09:36:14 -1541.994040 16.286153 BFGS: 722 09:36:14 -1542.757994 16.092009 BFGS: 723 09:36:15 -1543.502875 15.903316 BFGS: 724 09:36:15 -1544.231299 15.703894 BFGS: 725 09:36:15 -1544.945566 15.501813 BFGS: 726 09:36:15 -1545.647223 15.292798 BFGS: 727 09:36:16 -1546.337104 15.083243 BFGS: 728 09:36:16 -1547.015992 14.860930 BFGS: 729 09:36:16 -1547.684048 14.634852 BFGS: 730 09:36:16 -1548.341617 14.402864 BFGS: 731 09:36:16 -1548.988818 14.171729 BFGS: 732 09:36:17 -1549.624923 13.930567 BFGS: 733 09:36:17 -1550.250378 13.680958 BFGS: 734 09:36:17 -1550.865251 13.420739 BFGS: 735 09:36:17 -1551.469216 13.165149 BFGS: 736 09:36:17 -1552.061771 12.895520 BFGS: 737 09:36:18 -1552.642694 12.623349 BFGS: 738 09:36:18 -1553.211059 12.345307 BFGS: 739 09:36:18 -1553.767261 12.061111 BFGS: 740 09:36:18 -1554.310879 11.774403 BFGS: 741 09:36:18 -1554.841172 11.484468 BFGS: 742 09:36:18 -1555.357889 11.192457 BFGS: 743 09:36:18 -1555.860492 10.898927 BFGS: 744 09:36:19 -1556.348944 10.606020 BFGS: 745 09:36:19 -1556.822553 10.309575 BFGS: 746 09:36:19 -1557.281017 10.019430 BFGS: 747 09:36:19 -1557.724175 9.734067 BFGS: 748 09:36:19 -1558.151648 9.451675 BFGS: 749 09:36:20 -1558.563061 9.177886 BFGS: 750 09:36:20 -1558.958294 8.910272 BFGS: 751 09:36:20 -1559.336988 8.656832 BFGS: 752 09:36:20 -1559.699278 8.414290 BFGS: 753 09:36:20 -1560.044723 8.188827 BFGS: 754 09:36:21 -1560.373502 7.979856 BFGS: 755 09:36:21 -1560.685666 7.793592 BFGS: 756 09:36:21 -1560.981615 7.634214 BFGS: 757 09:36:21 -1561.261813 7.497274 BFGS: 758 09:36:21 -1561.526615 7.385054 BFGS: 759 09:36:21 -1561.777050 7.297315 BFGS: 760 09:36:21 -1562.014962 7.243748 BFGS: 761 09:36:21 -1562.242611 7.216546 BFGS: 762 09:36:21 -1562.456304 7.204535 BFGS: 763 09:36:21 -1562.649171 7.198913 BFGS: 764 09:36:21 -1562.830146 7.192101 BFGS: 765 09:36:21 -1563.007844 7.170503 BFGS: 766 09:36:22 -1563.188924 7.120447 BFGS: 767 09:36:22 -1563.379115 7.035376 BFGS: 768 09:36:22 -1563.581858 6.903670 BFGS: 769 09:36:22 -1563.800204 6.724933 BFGS: 770 09:36:22 -1564.035385 6.506484 BFGS: 771 09:36:22 -1564.287168 6.241444 BFGS: 772 09:36:22 -1564.553816 5.931146 BFGS: 773 09:36:22 -1564.833791 5.582401 BFGS: 774 09:36:22 -1565.123750 5.216291 BFGS: 775 09:36:22 -1565.419970 4.852045 BFGS: 776 09:36:22 -1565.717826 4.582335 BFGS: 777 09:36:22 -1566.002513 4.589866 BFGS: 778 09:36:22 -1566.268549 4.700390 BFGS: 779 09:36:22 -1566.522561 4.731113 BFGS: 780 09:36:22 -1566.770638 4.717635 BFGS: 781 09:36:23 -1567.015949 4.616377 BFGS: 782 09:36:23 -1567.262903 4.492949 BFGS: 783 09:36:23 -1567.513566 4.246645 BFGS: 784 09:36:23 -1567.770072 4.345375 BFGS: 785 09:36:23 -1568.018728 4.438767 BFGS: 786 09:36:23 -1568.270059 4.506742 BFGS: 787 09:36:23 -1568.536543 4.401114 BFGS: 788 09:36:23 -1568.820146 4.187432 BFGS: 789 09:36:23 -1569.038859 3.921654 BFGS: 790 09:36:23 -1569.226296 4.068704 BFGS: 791 09:36:23 -1569.395199 4.203369 BFGS: 792 09:36:23 -1569.551339 4.264240 BFGS: 793 09:36:23 -1569.697026 4.290573 BFGS: 794 09:36:24 -1569.833785 4.280275 BFGS: 795 09:36:24 -1569.962730 4.253936 BFGS: 796 09:36:24 -1570.084996 4.211665 BFGS: 797 09:36:24 -1570.200903 4.168587 BFGS: 798 09:36:24 -1570.312255 4.122830 BFGS: 799 09:36:24 -1570.413058 4.085791 BFGS: 800 09:36:24 -1570.506053 4.183558 BFGS: 801 09:36:24 -1570.594845 4.352629 BFGS: 802 09:36:24 -1570.681236 4.517410 BFGS: 803 09:36:24 -1570.767064 4.681359 BFGS: 804 09:36:24 -1570.853348 4.847631 BFGS: 805 09:36:24 -1570.940374 5.013998 BFGS: 806 09:36:24 -1571.028433 5.190582 BFGS: 807 09:36:24 -1571.116659 5.349284 BFGS: 808 09:36:25 -1571.206253 5.509397 BFGS: 809 09:36:25 -1571.296932 5.671477 BFGS: 810 09:36:25 -1571.387842 5.835725 BFGS: 811 09:36:25 -1571.481402 5.999404 BFGS: 812 09:36:25 -1571.578711 6.179485 BFGS: 813 09:36:25 -1571.683186 6.359141 BFGS: 814 09:36:25 -1571.795331 6.545903 BFGS: 815 09:36:25 -1571.915694 6.736867 BFGS: 816 09:36:25 -1572.045190 6.933148 BFGS: 817 09:36:25 -1572.184994 7.134118 BFGS: 818 09:36:25 -1572.335684 7.353516 BFGS: 819 09:36:25 -1572.498435 7.584044 BFGS: 820 09:36:25 -1572.674078 7.810771 BFGS: 821 09:36:25 -1572.863194 8.045104 BFGS: 822 09:36:26 -1573.066114 8.280259 BFGS: 823 09:36:26 -1573.283195 8.516651 BFGS: 824 09:36:26 -1573.513683 8.756285 BFGS: 825 09:36:26 -1573.758310 8.998063 BFGS: 826 09:36:26 -1574.017386 9.242729 BFGS: 827 09:36:26 -1574.291592 9.503734 BFGS: 828 09:36:26 -1574.581584 9.752886 BFGS: 829 09:36:26 -1574.886758 10.003981 BFGS: 830 09:36:26 -1575.207442 10.256927 BFGS: 831 09:36:26 -1575.543736 10.510271 BFGS: 832 09:36:26 -1575.895983 10.768081 BFGS: 833 09:36:26 -1576.264565 11.031124 BFGS: 834 09:36:26 -1576.649399 11.290096 BFGS: 835 09:36:26 -1577.048756 11.542155 BFGS: 836 09:36:26 -1577.462813 11.791650 BFGS: 837 09:36:27 -1577.891087 12.037756 BFGS: 838 09:36:27 -1578.333020 12.280333 BFGS: 839 09:36:27 -1578.787938 12.519998 BFGS: 840 09:36:27 -1579.255993 12.758393 BFGS: 841 09:36:27 -1579.735405 12.990387 BFGS: 842 09:36:27 -1580.224508 13.221448 BFGS: 843 09:36:27 -1580.721486 13.431396 BFGS: 844 09:36:27 -1581.225640 13.632222 BFGS: 845 09:36:27 -1581.735105 13.819811 BFGS: 846 09:36:27 -1582.249617 14.001883 BFGS: 847 09:36:27 -1582.766246 14.172771 BFGS: 848 09:36:28 -1583.283810 14.331711 BFGS: 849 09:36:28 -1583.801163 14.479111 BFGS: 850 09:36:28 -1584.316682 14.619537 BFGS: 851 09:36:28 -1584.829837 14.747227 BFGS: 852 09:36:28 -1585.339320 14.868957 BFGS: 853 09:36:28 -1585.845718 14.972060 BFGS: 854 09:36:28 -1586.348284 15.081161 BFGS: 855 09:36:28 -1586.846837 15.166767 BFGS: 856 09:36:29 -1587.340689 15.244544 BFGS: 857 09:36:29 -1587.828378 15.309213 BFGS: 858 09:36:29 -1588.309731 15.356224 BFGS: 859 09:36:29 -1588.785342 15.391775 BFGS: 860 09:36:29 -1589.254509 15.417393 BFGS: 861 09:36:29 -1589.717029 15.435995 BFGS: 862 09:36:29 -1590.172268 15.440308 BFGS: 863 09:36:30 -1590.620176 15.442406 BFGS: 864 09:36:30 -1591.060053 15.431326 BFGS: 865 09:36:30 -1591.491818 15.404379 BFGS: 866 09:36:30 -1591.915421 15.371229 BFGS: 867 09:36:30 -1592.330144 15.323944 BFGS: 868 09:36:30 -1592.736007 15.268754 BFGS: 869 09:36:30 -1593.132928 15.206791 BFGS: 870 09:36:31 -1593.520577 15.140202 BFGS: 871 09:36:31 -1593.898649 15.055040 BFGS: 872 09:36:31 -1594.267006 14.965072 BFGS: 873 09:36:31 -1594.625368 14.866972 BFGS: 874 09:36:31 -1594.973575 14.760211 BFGS: 875 09:36:31 -1595.311853 14.647992 BFGS: 876 09:36:31 -1595.640177 14.520953 BFGS: 877 09:36:31 -1595.958717 14.390221 BFGS: 878 09:36:32 -1596.267585 14.247773 BFGS: 879 09:36:32 -1596.566739 14.096488 BFGS: 880 09:36:32 -1596.856310 13.939269 BFGS: 881 09:36:32 -1597.136707 13.783254 BFGS: 882 09:36:32 -1597.408049 13.616213 BFGS: 883 09:36:32 -1597.671506 13.449523 BFGS: 884 09:36:32 -1597.926460 13.274709 BFGS: 885 09:36:33 -1598.174286 13.103062 BFGS: 886 09:36:33 -1598.415123 12.921643 BFGS: 887 09:36:33 -1598.649190 12.739882 BFGS: 888 09:36:33 -1598.877561 12.565344 BFGS: 889 09:36:33 -1599.100464 12.388671 BFGS: 890 09:36:33 -1599.317905 12.215053 BFGS: 891 09:36:33 -1599.530554 12.043144 BFGS: 892 09:36:34 -1599.737993 11.868541 BFGS: 893 09:36:34 -1599.940923 11.693188 BFGS: 894 09:36:34 -1600.138894 11.824460 BFGS: 895 09:36:34 -1600.332325 12.048142 BFGS: 896 09:36:34 -1600.520739 12.268627 BFGS: 897 09:36:34 -1600.704232 12.494391 BFGS: 898 09:36:34 -1600.882357 12.715440 BFGS: 899 09:36:34 -1601.055303 12.945554 BFGS: 900 09:36:35 -1601.221993 13.157293 BFGS: 901 09:36:35 -1601.382774 13.383982 BFGS: 902 09:36:35 -1601.537169 13.592107 BFGS: 903 09:36:35 -1601.684707 13.816246 BFGS: 904 09:36:35 -1601.825102 14.023981 BFGS: 905 09:36:35 -1601.958390 14.236312 BFGS: 906 09:36:35 -1602.081925 14.422024 BFGS: 907 09:36:35 -1602.193765 14.610570 BFGS: 908 09:36:35 -1602.298483 14.748850 BFGS: 909 09:36:36 -1602.397092 14.888012 BFGS: 910 09:36:36 -1602.496001 14.959852 BFGS: 911 09:36:36 -1602.597777 15.035891 BFGS: 912 09:36:36 -1602.710707 15.023975 BFGS: 913 09:36:36 -1602.836128 15.005063 BFGS: 914 09:36:36 -1602.977208 14.907399 BFGS: 915 09:36:36 -1603.131179 14.796572 BFGS: 916 09:36:37 -1603.296640 14.646355 BFGS: 917 09:36:37 -1603.470502 14.484893 BFGS: 918 09:36:37 -1603.649944 14.309549 BFGS: 919 09:36:37 -1603.832972 14.130815 BFGS: 920 09:36:37 -1604.017789 13.955564 BFGS: 921 09:36:37 -1604.202856 13.776689 BFGS: 922 09:36:37 -1604.387825 13.606028 BFGS: 923 09:36:38 -1604.571617 13.436670 BFGS: 924 09:36:38 -1604.753724 13.266742 BFGS: 925 09:36:38 -1604.934148 13.101500 BFGS: 926 09:36:38 -1605.113119 12.939588 BFGS: 927 09:36:38 -1605.290711 12.802296 BFGS: 928 09:36:38 -1605.467256 12.641895 BFGS: 929 09:36:38 -1605.642156 12.488628 BFGS: 930 09:36:38 -1605.816371 12.335345 BFGS: 931 09:36:39 -1605.989220 12.197569 BFGS: 932 09:36:39 -1606.161828 12.049836 BFGS: 933 09:36:39 -1606.333693 11.905392 BFGS: 934 09:36:39 -1606.505512 11.761128 BFGS: 935 09:36:39 -1606.677036 11.622859 BFGS: 936 09:36:40 -1606.848662 11.479290 BFGS: 937 09:36:40 -1607.020228 11.336112 BFGS: 938 09:36:40 -1607.191718 11.201979 BFGS: 939 09:36:40 -1607.363318 11.057194 BFGS: 940 09:36:40 -1607.534599 10.913557 BFGS: 941 09:36:40 -1607.705764 10.769027 BFGS: 942 09:36:40 -1607.876642 10.633588 BFGS: 943 09:36:40 -1608.047006 10.487497 BFGS: 944 09:36:41 -1608.217270 10.340909 BFGS: 945 09:36:41 -1608.386411 10.194741 BFGS: 946 09:36:41 -1608.555300 10.052908 BFGS: 947 09:36:41 -1608.722362 9.907061 BFGS: 948 09:36:41 -1608.889504 9.758793 BFGS: 949 09:36:41 -1609.055580 9.609906 BFGS: 950 09:36:41 -1609.221040 9.459282 BFGS: 951 09:36:42 -1609.385220 9.301936 BFGS: 952 09:36:42 -1609.548292 9.149460 BFGS: 953 09:36:42 -1609.709819 9.005103 BFGS: 954 09:36:42 -1609.870130 8.847016 BFGS: 955 09:36:42 -1610.027866 8.693253 BFGS: 956 09:36:42 -1610.183801 8.537212 BFGS: 957 09:36:42 -1610.337655 8.388696 BFGS: 958 09:36:43 -1610.489280 8.236230 BFGS: 959 09:36:43 -1610.639553 8.078694 BFGS: 960 09:36:43 -1610.787087 7.918371 BFGS: 961 09:36:43 -1610.932509 7.756541 BFGS: 962 09:36:43 -1611.075017 7.594972 BFGS: 963 09:36:43 -1611.215020 7.432155 BFGS: 964 09:36:43 -1611.351977 7.269091 BFGS: 965 09:36:43 -1611.485668 7.106255 BFGS: 966 09:36:43 -1611.616556 6.943985 BFGS: 967 09:36:43 -1611.743450 6.781024 BFGS: 968 09:36:43 -1611.867346 6.616688 BFGS: 969 09:36:43 -1611.987701 6.452302 BFGS: 970 09:36:43 -1612.104576 6.287151 BFGS: 971 09:36:44 -1612.217639 6.122028 BFGS: 972 09:36:44 -1612.326918 5.956500 BFGS: 973 09:36:44 -1612.432167 5.788653 BFGS: 974 09:36:44 -1612.533144 5.617363 BFGS: 975 09:36:44 -1612.630019 5.453610 BFGS: 976 09:36:44 -1612.722617 5.291004 BFGS: 977 09:36:44 -1612.810932 5.129196 BFGS: 978 09:36:44 -1612.894611 4.967979 BFGS: 979 09:36:44 -1612.973883 4.810677 BFGS: 980 09:36:44 -1613.048552 4.653293 BFGS: 981 09:36:44 -1613.118395 4.495634 BFGS: 982 09:36:44 -1613.183725 4.340493 BFGS: 983 09:36:44 -1613.244888 4.182515 BFGS: 984 09:36:44 -1613.301094 4.028707 BFGS: 985 09:36:45 -1613.352302 3.876217 BFGS: 986 09:36:45 -1613.398895 3.725212 BFGS: 987 09:36:45 -1613.440557 3.575580 BFGS: 988 09:36:45 -1613.477503 3.427316 BFGS: 989 09:36:45 -1613.509496 3.279222 BFGS: 990 09:36:45 -1613.536912 3.140522 BFGS: 991 09:36:45 -1613.559439 2.999609 BFGS: 992 09:36:45 -1613.577410 2.855464 BFGS: 993 09:36:45 -1613.590601 2.722791 BFGS: 994 09:36:45 -1613.599525 2.589609 BFGS: 995 09:36:45 -1613.604333 2.470681 BFGS: 996 09:36:46 -1613.606271 2.427053 BFGS: 997 09:36:46 -1613.609566 2.389852 BFGS: 998 09:36:46 -1613.614663 2.404103 BFGS: 999 09:36:46 -1613.620903 2.504012 BFGS: 1000 09:36:46 -1613.623899 2.606865 BFGS: 1001 09:36:46 -1613.625081 2.653724 BFGS: 1002 09:36:47 -1613.625993 2.670416 BFGS: 1003 09:36:47 -1613.626978 2.666501 BFGS: 1004 09:36:47 -1613.627718 2.645742 BFGS: 1005 09:36:47 -1613.628170 2.629224 BFGS: 1006 09:36:47 -1613.628524 2.619971 BFGS: 1007 09:36:47 -1613.628982 2.628684 BFGS: 1008 09:36:47 -1613.629627 2.655023 BFGS: 1009 09:36:47 -1613.630479 2.706090 BFGS: 1010 09:36:48 -1613.631183 2.737672 BFGS: 1011 09:36:48 -1613.631764 2.741156 BFGS: 1012 09:36:48 -1613.632376 2.700889 BFGS: 1013 09:36:48 -1613.633151 2.611595 BFGS: 1014 09:36:48 -1613.633911 2.490885 BFGS: 1015 09:36:48 -1613.634482 2.400729 BFGS: 1016 09:36:48 -1613.634832 2.364080 BFGS: 1017 09:36:49 -1613.635171 2.356731 BFGS: 1018 09:36:49 -1613.635547 2.365386 BFGS: 1019 09:36:49 -1613.635898 2.386081 BFGS: 1020 09:36:49 -1613.636122 2.401260 BFGS: 1021 09:36:49 -1613.636246 2.407314 BFGS: 1022 09:36:49 -1613.636325 2.407203 BFGS: 1023 09:36:49 -1613.636386 2.405195 BFGS: 1024 09:36:50 -1613.636444 2.403105 BFGS: 1025 09:36:50 -1613.636502 2.402986 BFGS: 1026 09:36:50 -1613.636561 2.405625 BFGS: 1027 09:36:50 -1613.636612 2.410674 BFGS: 1028 09:36:50 -1613.636648 2.415494 BFGS: 1029 09:36:50 -1613.636669 2.418272 BFGS: 1030 09:36:50 -1613.636682 2.419196 BFGS: 1031 09:36:51 -1613.636691 2.419077 BFGS: 1032 09:36:51 -1613.636696 2.418557 BFGS: 1033 09:36:51 -1613.636700 2.418132 BFGS: 1034 09:36:51 -1613.636701 2.417955 BFGS: 1035 09:36:51 -1613.636702 2.417964 BFGS: 1036 09:36:51 -1613.636703 2.418060 BFGS: 1037 09:36:51 -1613.636703 2.418177 BFGS: 1038 09:36:51 -1613.636703 2.418257 BFGS: 1039 09:36:52 -1613.636703 2.418308 BFGS: 1040 09:36:52 -1613.636703 2.418320 BFGS: 1041 09:36:52 -1613.636703 2.418322 BFGS: 1042 09:36:52 -1613.636703 2.418318 BFGS: 1043 09:36:52 -1613.636703 2.418314 BFGS: 1044 09:36:52 -1613.636703 2.418319 BFGS: 1045 09:36:52 -1613.636703 2.418329 BFGS: 1046 09:36:53 -1613.636703 2.418339 BFGS: 1047 09:36:53 -1613.636703 2.418365 BFGS: 1048 09:36:53 -1613.636703 2.418405 BFGS: 1049 09:36:53 -1613.636703 2.418479 BFGS: 1050 09:36:53 -1613.636703 2.418603 BFGS: 1051 09:36:53 -1613.636703 2.418810 BFGS: 1052 09:36:53 -1613.636704 2.419154 BFGS: 1053 09:36:53 -1613.636704 2.419723 BFGS: 1054 09:36:53 -1613.636706 2.420658 BFGS: 1055 09:36:53 -1613.636712 2.422194 BFGS: 1056 09:36:53 -1613.636725 2.424714 BFGS: 1057 09:36:53 -1613.636760 2.428856 BFGS: 1058 09:36:53 -1613.636852 2.435689 BFGS: 1059 09:36:53 -1613.637092 2.447047 BFGS: 1060 09:36:54 -1613.637723 2.466162 BFGS: 1061 09:36:54 -1613.639376 2.498970 BFGS: 1062 09:36:54 -1613.643723 2.556983 BFGS: 1063 09:36:54 -1613.655255 2.663966 BFGS: 1064 09:36:54 -1613.686415 2.887299 BFGS: 1065 09:36:54 -1613.764583 3.293985 BFGS: 1066 09:36:54 -1613.845487 3.592217 BFGS: 1067 09:36:54 -1613.932068 3.847843 BFGS: 1068 09:36:54 -1614.024473 4.100768 BFGS: 1069 09:36:54 -1614.119585 4.355657 BFGS: 1070 09:36:54 -1614.214896 4.602039 BFGS: 1071 09:36:55 -1614.312763 4.855106 BFGS: 1072 09:36:55 -1614.411049 5.107049 BFGS: 1073 09:36:55 -1614.512951 5.367255 BFGS: 1074 09:36:55 -1614.617040 5.636560 BFGS: 1075 09:36:55 -1614.723627 5.901091 BFGS: 1076 09:36:55 -1614.834039 6.173740 BFGS: 1077 09:36:55 -1614.948065 6.498326 BFGS: 1078 09:36:56 -1615.071361 6.939636 BFGS: 1079 09:36:56 -1615.198589 7.389650 BFGS: 1080 09:36:56 -1615.326894 7.839583 BFGS: 1081 09:36:56 -1615.459673 8.300738 BFGS: 1082 09:36:56 -1615.633984 8.902125 BFGS: 1083 09:36:56 -1615.839779 9.578758 BFGS: 1084 09:36:56 -1616.079263 10.332877 BFGS: 1085 09:36:56 -1616.307833 11.004566 BFGS: 1086 09:36:57 -1616.534481 11.598904 BFGS: 1087 09:36:57 -1616.830007 12.221005 BFGS: 1088 09:36:57 -1617.224006 12.810440 BFGS: 1089 09:36:57 -1617.554057 13.136637 BFGS: 1090 09:36:57 -1617.809308 13.296681 BFGS: 1091 09:36:57 -1617.972619 13.351758 BFGS: 1092 09:36:57 -1618.147076 13.411803 BFGS: 1093 09:36:58 -1618.328476 13.479339 BFGS: 1094 09:36:58 -1618.514786 13.544980 BFGS: 1095 09:36:58 -1618.705647 13.612077 BFGS: 1096 09:36:58 -1618.900939 13.675687 BFGS: 1097 09:36:58 -1619.099532 13.918165 BFGS: 1098 09:36:58 -1619.301552 14.265227 BFGS: 1099 09:36:58 -1619.507583 14.619515 BFGS: 1100 09:36:59 -1619.715878 14.984780 BFGS: 1101 09:36:59 -1619.927812 15.361346 BFGS: 1102 09:36:59 -1620.143097 15.750046 BFGS: 1103 09:36:59 -1620.360719 16.159677 BFGS: 1104 09:36:59 -1620.583337 16.574637 BFGS: 1105 09:36:59 -1620.808449 17.012840 BFGS: 1106 09:36:59 -1621.040192 17.472753 BFGS: 1107 09:36:59 -1621.281524 17.962671 BFGS: 1108 09:37:00 -1621.534718 18.489765 BFGS: 1109 09:37:00 -1621.802247 19.052609 BFGS: 1110 09:37:00 -1622.087053 19.650891 BFGS: 1111 09:37:00 -1622.385199 20.242011 BFGS: 1112 09:37:00 -1622.695184 20.813422 BFGS: 1113 09:37:00 -1623.006818 21.326298 BFGS: 1114 09:37:00 -1623.322053 21.792245 BFGS: 1115 09:37:01 -1623.636255 22.210624 BFGS: 1116 09:37:01 -1623.954340 22.598140 BFGS: 1117 09:37:01 -1624.274388 22.951785 BFGS: 1118 09:37:01 -1624.598002 23.300206 BFGS: 1119 09:37:01 -1624.923587 23.616146 BFGS: 1120 09:37:01 -1625.253455 23.921782 BFGS: 1121 09:37:01 -1625.583535 24.216538 BFGS: 1122 09:37:01 -1625.918362 24.509892 BFGS: 1123 09:37:02 -1626.253479 24.795583 BFGS: 1124 09:37:02 -1626.592114 25.080001 BFGS: 1125 09:37:02 -1626.932144 25.345012 BFGS: 1126 09:37:02 -1627.276528 25.616566 BFGS: 1127 09:37:02 -1627.621899 25.867975 BFGS: 1128 09:37:02 -1627.968448 26.136692 BFGS: 1129 09:37:02 -1628.317456 26.390729 BFGS: 1130 09:37:03 -1628.669739 26.648646 BFGS: 1131 09:37:03 -1629.020419 26.899034 BFGS: 1132 09:37:03 -1629.376398 27.152435 BFGS: 1133 09:37:03 -1629.731176 27.387444 BFGS: 1134 09:37:03 -1630.090027 27.632274 BFGS: 1135 09:37:03 -1630.449259 27.857364 BFGS: 1136 09:37:03 -1630.813500 28.096618 BFGS: 1137 09:37:04 -1631.178529 28.329659 BFGS: 1138 09:37:04 -1631.546022 28.548156 BFGS: 1139 09:37:04 -1631.913680 28.756707 BFGS: 1140 09:37:04 -1632.286706 28.968828 BFGS: 1141 09:37:04 -1632.657596 29.163721 BFGS: 1142 09:37:04 -1633.036076 29.372431 BFGS: 1143 09:37:04 -1633.412193 29.564494 BFGS: 1144 09:37:05 -1633.795115 29.759803 BFGS: 1145 09:37:05 -1634.174961 29.954313 BFGS: 1146 09:37:05 -1634.558038 30.130471 BFGS: 1147 09:37:05 -1634.941353 30.294001 BFGS: 1148 09:37:05 -1635.330263 30.460721 BFGS: 1149 09:37:05 -1635.718228 30.610690 BFGS: 1150 09:37:05 -1636.113095 30.761084 BFGS: 1151 09:37:06 -1636.507884 30.907309 BFGS: 1152 09:37:06 -1636.907266 31.041016 BFGS: 1153 09:37:06 -1637.309083 31.163866 BFGS: 1154 09:37:06 -1637.712773 31.287676 BFGS: 1155 09:37:06 -1638.120831 31.397053 BFGS: 1156 09:37:06 -1638.530798 31.490072 BFGS: 1157 09:37:06 -1638.944479 31.587736 BFGS: 1158 09:37:07 -1639.361465 31.680533 BFGS: 1159 09:37:07 -1639.780931 31.755472 BFGS: 1160 09:37:07 -1640.203560 31.819905 BFGS: 1161 09:37:07 -1640.630206 31.891017 BFGS: 1162 09:37:07 -1641.057669 31.943496 BFGS: 1163 09:37:07 -1641.488975 31.997209 BFGS: 1164 09:37:07 -1641.920779 32.045316 BFGS: 1165 09:37:08 -1642.354882 32.093945 BFGS: 1166 09:37:08 -1642.790932 32.111763 BFGS: 1167 09:37:08 -1643.230135 32.131308 BFGS: 1168 09:37:08 -1643.670697 32.136686 BFGS: 1169 09:37:08 -1644.114098 32.149421 BFGS: 1170 09:37:08 -1644.558571 32.144474 BFGS: 1171 09:37:08 -1645.005892 32.138564 BFGS: 1172 09:37:09 -1645.453300 32.127572 BFGS: 1173 09:37:09 -1645.903498 32.117982 BFGS: 1174 09:37:09 -1646.355715 32.102829 BFGS: 1175 09:37:09 -1646.809967 32.066761 BFGS: 1176 09:37:09 -1647.269592 32.040122 BFGS: 1177 09:37:09 -1647.731280 31.994507 BFGS: 1178 09:37:09 -1648.198723 31.958166 BFGS: 1179 09:37:10 -1648.667519 31.900371 BFGS: 1180 09:37:10 -1649.145017 31.830667 BFGS: 1181 09:37:10 -1649.624170 31.765123 BFGS: 1182 09:37:10 -1650.112572 31.698935 BFGS: 1183 09:37:10 -1650.605286 31.613285 BFGS: 1184 09:37:10 -1651.105069 31.524625 BFGS: 1185 09:37:10 -1651.613170 31.429419 BFGS: 1186 09:37:10 -1652.129636 31.324544 BFGS: 1187 09:37:11 -1652.654230 31.205564 BFGS: 1188 09:37:11 -1653.193909 31.093556 BFGS: 1189 09:37:11 -1653.738674 30.952788 BFGS: 1190 09:37:11 -1654.303189 30.830321 BFGS: 1191 09:37:11 -1654.870141 30.670327 BFGS: 1192 09:37:11 -1655.461034 30.538040 BFGS: 1193 09:37:11 -1656.054134 30.351663 BFGS: 1194 09:37:12 -1656.671995 30.197551 BFGS: 1195 09:37:12 -1657.296635 29.993464 BFGS: 1196 09:37:12 -1657.946309 29.807049 BFGS: 1197 09:37:12 -1658.602025 29.564061 BFGS: 1198 09:37:12 -1659.294762 29.371223 BFGS: 1199 09:37:12 -1659.986643 29.079935 BFGS: 1200 09:37:12 -1660.704438 28.866753 BFGS: 1201 09:37:12 -1661.414099 28.541916 BFGS: 1202 09:37:12 -1662.125778 28.302041 BFGS: 1203 09:37:12 -1662.828202 27.983879 BFGS: 1204 09:37:13 -1663.529804 27.709713 BFGS: 1205 09:37:13 -1664.227155 27.365327 BFGS: 1206 09:37:13 -1664.925020 27.055477 BFGS: 1207 09:37:13 -1665.622347 26.710759 BFGS: 1208 09:37:13 -1666.312502 26.371202 BFGS: 1209 09:37:13 -1667.015906 26.011637 BFGS: 1210 09:37:13 -1667.690395 25.636122 BFGS: 1211 09:37:13 -1668.399212 25.252904 BFGS: 1212 09:37:13 -1669.057826 24.855918 BFGS: 1213 09:37:14 -1669.776128 24.454315 BFGS: 1214 09:37:14 -1670.426396 24.036516 BFGS: 1215 09:37:14 -1671.129119 23.605300 BFGS: 1216 09:37:14 -1671.783315 23.179060 BFGS: 1217 09:37:14 -1672.464610 22.725753 BFGS: 1218 09:37:14 -1673.112687 22.276391 BFGS: 1219 09:37:14 -1673.776851 21.795385 BFGS: 1220 09:37:14 -1674.420058 21.327992 BFGS: 1221 09:37:14 -1675.067503 20.841308 BFGS: 1222 09:37:14 -1675.696897 20.364979 BFGS: 1223 09:37:14 -1676.323423 19.981958 BFGS: 1224 09:37:14 -1676.935697 19.866484 BFGS: 1225 09:37:14 -1677.548572 19.680893 BFGS: 1226 09:37:15 -1678.163352 19.525626 BFGS: 1227 09:37:15 -1678.751958 19.314965 BFGS: 1228 09:37:15 -1679.351687 19.130227 BFGS: 1229 09:37:15 -1679.917935 18.892253 BFGS: 1230 09:37:15 -1680.510403 18.680426 BFGS: 1231 09:37:15 -1681.058648 18.418343 BFGS: 1232 09:37:15 -1681.648517 18.174348 BFGS: 1233 09:37:15 -1682.187019 17.888451 BFGS: 1234 09:37:15 -1682.769325 17.604227 BFGS: 1235 09:37:15 -1683.317937 17.293769 BFGS: 1236 09:37:15 -1683.891840 16.966589 BFGS: 1237 09:37:16 -1684.449262 16.624823 BFGS: 1238 09:37:16 -1685.022436 16.241562 BFGS: 1239 09:37:16 -1685.592231 15.853837 BFGS: 1240 09:37:16 -1686.167695 15.411301 BFGS: 1241 09:37:16 -1686.748300 14.954168 BFGS: 1242 09:37:16 -1687.329958 14.436414 BFGS: 1243 09:37:16 -1687.915682 13.886795 BFGS: 1244 09:37:16 -1688.492907 13.262573 BFGS: 1245 09:37:16 -1689.077881 12.572164 BFGS: 1246 09:37:16 -1689.651731 12.311908 BFGS: 1247 09:37:17 -1690.239693 11.997502 BFGS: 1248 09:37:17 -1690.803394 11.533986 BFGS: 1249 09:37:17 -1691.302238 10.695509 BFGS: 1250 09:37:17 -1691.740708 9.638478 BFGS: 1251 09:37:17 -1692.097662 9.092468 BFGS: 1252 09:37:17 -1692.403668 8.907911 BFGS: 1253 09:37:17 -1692.713771 8.802788 BFGS: 1254 09:37:17 -1693.047983 8.773712 BFGS: 1255 09:37:17 -1693.404325 8.661468 BFGS: 1256 09:37:17 -1693.782665 8.610203 BFGS: 1257 09:37:17 -1694.178766 8.513739 BFGS: 1258 09:37:17 -1694.593383 8.613532 BFGS: 1259 09:37:17 -1695.022670 8.984691 BFGS: 1260 09:37:18 -1695.469588 9.364848 BFGS: 1261 09:37:18 -1695.929986 9.741847 BFGS: 1262 09:37:18 -1696.405201 10.123286 BFGS: 1263 09:37:18 -1696.893659 10.495451 BFGS: 1264 09:37:18 -1697.393206 10.864684 BFGS: 1265 09:37:18 -1697.904563 11.225052 BFGS: 1266 09:37:18 -1698.427677 11.577039 BFGS: 1267 09:37:18 -1698.959678 11.915020 BFGS: 1268 09:37:18 -1699.499379 12.234287 BFGS: 1269 09:37:18 -1700.049623 12.536421 BFGS: 1270 09:37:18 -1700.603406 12.815440 BFGS: 1271 09:37:18 -1701.167183 13.077733 BFGS: 1272 09:37:18 -1701.733018 13.316548 BFGS: 1273 09:37:18 -1702.300959 13.520348 BFGS: 1274 09:37:19 -1702.870548 13.697670 BFGS: 1275 09:37:19 -1703.441681 13.841018 BFGS: 1276 09:37:19 -1704.010537 13.953825 BFGS: 1277 09:37:19 -1704.576333 14.031361 BFGS: 1278 09:37:19 -1705.138623 14.070353 BFGS: 1279 09:37:19 -1705.694998 14.069779 BFGS: 1280 09:37:19 -1706.244994 14.031329 BFGS: 1281 09:37:19 -1706.785525 13.948461 BFGS: 1282 09:37:19 -1707.317962 13.824933 BFGS: 1283 09:37:19 -1707.844191 13.653757 BFGS: 1284 09:37:19 -1708.350835 13.443634 BFGS: 1285 09:37:19 -1708.844816 13.194735 BFGS: 1286 09:37:19 -1709.321780 12.903850 BFGS: 1287 09:37:20 -1709.785223 12.563018 BFGS: 1288 09:37:20 -1710.231460 12.182788 BFGS: 1289 09:37:20 -1710.667757 11.749304 BFGS: 1290 09:37:20 -1711.085323 11.271565 BFGS: 1291 09:37:20 -1711.467903 10.811564 BFGS: 1292 09:37:20 -1711.826375 10.325309 BFGS: 1293 09:37:20 -1712.160492 9.982898 BFGS: 1294 09:37:20 -1712.511677 9.567892 BFGS: 1295 09:37:20 -1712.876926 9.461221 BFGS: 1296 09:37:20 -1713.305260 9.273280 BFGS: 1297 09:37:20 -1713.677145 9.387092 BFGS: 1298 09:37:20 -1714.021066 9.479971 BFGS: 1299 09:37:20 -1714.350059 9.659330 BFGS: 1300 09:37:21 -1714.672562 9.815259 BFGS: 1301 09:37:21 -1714.992191 10.017284 BFGS: 1302 09:37:21 -1715.311347 10.186051 BFGS: 1303 09:37:21 -1715.629555 10.385436 BFGS: 1304 09:37:21 -1715.949475 10.557513 BFGS: 1305 09:37:21 -1716.269729 10.756726 BFGS: 1306 09:37:21 -1716.593652 10.925217 BFGS: 1307 09:37:21 -1716.918127 11.124223 BFGS: 1308 09:37:21 -1717.246781 11.280843 BFGS: 1309 09:37:21 -1717.576206 11.484096 BFGS: 1310 09:37:21 -1717.909544 11.624001 BFGS: 1311 09:37:21 -1718.244392 11.829315 BFGS: 1312 09:37:21 -1718.581737 11.953443 BFGS: 1313 09:37:22 -1718.921720 12.157869 BFGS: 1314 09:37:22 -1719.263920 12.280625 BFGS: 1315 09:37:22 -1719.608795 12.478789 BFGS: 1316 09:37:22 -1719.955623 12.599387 BFGS: 1317 09:37:22 -1720.305507 12.790603 BFGS: 1318 09:37:22 -1720.656654 12.910652 BFGS: 1319 09:37:22 -1721.009686 13.086763 BFGS: 1320 09:37:22 -1721.364756 13.202188 BFGS: 1321 09:37:22 -1721.720984 13.361787 BFGS: 1322 09:37:22 -1722.078458 13.472994 BFGS: 1323 09:37:22 -1722.437877 13.616838 BFGS: 1324 09:37:22 -1722.798319 13.723517 BFGS: 1325 09:37:23 -1723.159320 13.850037 BFGS: 1326 09:37:23 -1723.521203 13.936140 BFGS: 1327 09:37:23 -1723.884814 14.046708 BFGS: 1328 09:37:23 -1724.248681 14.124015 BFGS: 1329 09:37:23 -1724.614648 14.212061 BFGS: 1330 09:37:23 -1724.979577 14.263791 BFGS: 1331 09:37:23 -1725.346743 14.319675 BFGS: 1332 09:37:23 -1725.714554 14.351800 BFGS: 1333 09:37:23 -1726.084204 14.377157 BFGS: 1334 09:37:23 -1726.455414 14.378123 BFGS: 1335 09:37:23 -1726.829494 14.367679 BFGS: 1336 09:37:23 -1727.205712 14.335345 BFGS: 1337 09:37:23 -1727.586494 14.284469 BFGS: 1338 09:37:24 -1727.971085 14.215547 BFGS: 1339 09:37:24 -1728.359259 14.127900 BFGS: 1340 09:37:24 -1728.753247 14.009931 BFGS: 1341 09:37:24 -1729.154630 13.874309 BFGS: 1342 09:37:24 -1729.561978 13.698545 BFGS: 1343 09:37:24 -1729.980305 13.498684 BFGS: 1344 09:37:24 -1730.407090 13.253354 BFGS: 1345 09:37:24 -1730.851520 13.048717 BFGS: 1346 09:37:24 -1731.315035 12.952739 BFGS: 1347 09:37:24 -1731.796403 12.781362 BFGS: 1348 09:37:24 -1732.301743 12.582377 BFGS: 1349 09:37:24 -1732.849095 12.281347 BFGS: 1350 09:37:25 -1733.443145 11.968370 BFGS: 1351 09:37:25 -1734.125700 11.358002 BFGS: 1352 09:37:25 -1734.910749 11.523896 BFGS: 1353 09:37:25 -1735.698131 11.847412 BFGS: 1354 09:37:25 -1736.623107 12.227767 BFGS: 1355 09:37:25 -1737.395987 12.302759 BFGS: 1356 09:37:25 -1738.335715 12.245409 BFGS: 1357 09:37:25 -1739.098591 12.057759 BFGS: 1358 09:37:25 -1739.713415 11.826659 BFGS: 1359 09:37:25 -1740.277795 11.579941 BFGS: 1360 09:37:25 -1740.797774 11.319516 BFGS: 1361 09:37:25 -1741.297304 11.055372 BFGS: 1362 09:37:25 -1741.773769 10.786581 BFGS: 1363 09:37:26 -1742.237574 10.512540 BFGS: 1364 09:37:26 -1742.684428 10.234704 BFGS: 1365 09:37:26 -1743.121059 9.954169 BFGS: 1366 09:37:26 -1743.544144 9.674992 BFGS: 1367 09:37:26 -1743.956423 9.388808 BFGS: 1368 09:37:26 -1744.358364 9.098559 BFGS: 1369 09:37:26 -1744.750429 8.808513 BFGS: 1370 09:37:26 -1745.131684 8.511442 BFGS: 1371 09:37:26 -1745.502943 8.208898 BFGS: 1372 09:37:26 -1745.863653 7.902216 BFGS: 1373 09:37:26 -1746.214479 7.591860 BFGS: 1374 09:37:26 -1746.554467 7.281805 BFGS: 1375 09:37:27 -1746.883893 6.969041 BFGS: 1376 09:37:27 -1747.201853 6.659759 BFGS: 1377 09:37:27 -1747.509330 6.339425 BFGS: 1378 09:37:27 -1747.805751 6.009228 BFGS: 1379 09:37:27 -1748.090105 5.677684 BFGS: 1380 09:37:27 -1748.362676 5.340308 BFGS: 1381 09:37:27 -1748.622140 5.003470 BFGS: 1382 09:37:27 -1748.869540 4.670119 BFGS: 1383 09:37:27 -1749.102758 4.327693 BFGS: 1384 09:37:27 -1749.323744 3.983085 BFGS: 1385 09:37:27 -1749.529838 3.633335 BFGS: 1386 09:37:27 -1749.721986 3.290997 BFGS: 1387 09:37:28 -1749.898744 2.953416 BFGS: 1388 09:37:28 -1750.060728 2.607379 BFGS: 1389 09:37:28 -1750.206561 2.270485 BFGS: 1390 09:37:28 -1750.336326 2.008860 BFGS: 1391 09:37:28 -1750.449072 1.916238 BFGS: 1392 09:37:28 -1750.544431 1.830905 BFGS: 1393 09:37:28 -1750.622042 1.740676 BFGS: 1394 09:37:28 -1750.681324 1.661933 BFGS: 1395 09:37:28 -1750.721508 1.690326 BFGS: 1396 09:37:28 -1750.741568 1.780183 BFGS: 1397 09:37:28 -1750.744394 1.858616 BFGS: 1398 09:37:29 -1750.745182 1.836181 BFGS: 1399 09:37:29 -1750.746505 1.848423 BFGS: 1400 09:37:29 -1750.749945 1.901620 BFGS: 1401 09:37:29 -1750.751050 1.901306 BFGS: 1402 09:37:29 -1750.755904 1.943107 BFGS: 1403 09:37:29 -1750.761873 1.975473 BFGS: 1404 09:37:29 -1750.774441 2.119415 BFGS: 1405 09:37:29 -1750.798720 2.289136 BFGS: 1406 09:37:30 -1750.845321 2.390978 BFGS: 1407 09:37:30 -1750.926382 2.227799 BFGS: 1408 09:37:30 -1751.027081 1.569938 BFGS: 1409 09:37:30 -1751.093325 0.901639 BFGS: 1410 09:37:30 -1751.112447 0.486939 BFGS: 1411 09:37:30 -1751.117346 0.441833 BFGS: 1412 09:37:31 -1751.119103 0.324439 BFGS: 1413 09:37:31 -1751.120577 0.270964 BFGS: 1414 09:37:31 -1751.121668 0.117210 BFGS: 1415 09:37:31 -1751.122193 0.066897 BFGS: 1416 09:37:31 -1751.122364 0.032281 BFGS: 1417 09:37:32 -1751.122398 0.012998 BFGS: 1418 09:37:32 -1751.122408 0.009440 BFGS: 1419 09:37:32 -1751.122412 0.005758 BFGS: 1420 09:37:32 -1751.122413 0.002431 BFGS: 1421 09:37:32 -1751.122413 0.001112 BFGS: 1422 09:37:32 -1751.122413 0.000372 BFGS: 1423 09:37:33 -1751.122413 0.000125 BFGS: 1424 09:37:33 -1751.122413 0.000062 BFGS: 1425 09:37:33 -1751.122413 0.000029 BFGS: 1426 09:37:33 -1751.122413 0.000008 BFGS: 1427 09:37:33 -1751.122413 0.000004 BFGS: 1428 09:37:33 -1751.122413 0.000001 BFGS: 1429 09:37:34 -1751.122413 0.000001 BFGS: 1430 09:37:34 -1751.122413 0.000000 BFGS: 1431 09:37:34 -1751.122413 0.000000 BFGS: 1432 09:37:34 -1751.122413 0.000000 BFGS: 1433 09:37:34 -1751.122413 0.000000 BFGS: 1434 09:37:35 -1751.122413 0.000000 BFGS: 1435 09:37:35 -1751.122413 0.000000 Minimization converged after 1435 steps. Maximum force component: 6.892277906593477e-09 eV/Angstrom Maximum stress component: 6.798540384996111e-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', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P'] basis = [[1.81461500e-16 6.90842215e-01 2.50000000e-01] [5.00000000e-01 1.90842215e-01 2.50000000e-01] [3.83470883e-16 3.09157785e-01 7.50000000e-01] [5.00000000e-01 8.09157785e-01 7.50000000e-01] [1.82608739e-16 9.89810640e-01 2.50000000e-01] [5.00000000e-01 4.89810640e-01 2.50000000e-01] [3.82323644e-16 1.01893598e-02 7.50000000e-01] [5.00000000e-01 5.10189360e-01 7.50000000e-01] [1.33521101e-01 3.21267389e-01 3.18829353e-01] [8.66478899e-01 3.21267389e-01 1.81170647e-01] [6.33521101e-01 8.21267389e-01 3.18829353e-01] [3.66478899e-01 8.21267389e-01 1.81170647e-01] [8.66478899e-01 6.78732611e-01 6.81170647e-01] [1.33521101e-01 6.78732611e-01 8.18829353e-01] [3.66478899e-01 1.78732611e-01 6.81170647e-01] [6.33521101e-01 1.78732611e-01 8.18829353e-01] [2.72069083e-01 2.83959385e-01 1.37803589e-01] [7.27930917e-01 2.83959385e-01 3.62196411e-01] [7.72069083e-01 7.83959385e-01 1.37803589e-01] [2.27930917e-01 7.83959385e-01 3.62196411e-01] [7.27930917e-01 7.16040615e-01 8.62196411e-01] [2.72069083e-01 7.16040615e-01 6.37803589e-01] [2.27930917e-01 2.16040615e-01 8.62196411e-01] [7.72069083e-01 2.16040615e-01 6.37803589e-01] [7.11148623e-01 8.34800572e-01 6.49588961e-01] [2.88851377e-01 8.34800572e-01 8.50411039e-01] [2.11148623e-01 3.34800572e-01 6.49588961e-01] [7.88851377e-01 3.34800572e-01 8.50411039e-01] [2.88851377e-01 1.65199428e-01 3.50411039e-01] [7.11148623e-01 1.65199428e-01 1.49588961e-01] [7.88851377e-01 6.65199428e-01 3.50411039e-01] [2.11148623e-01 6.65199428e-01 1.49588961e-01] [5.17378773e-01 3.39743679e-01 9.87082930e-01] [4.82621227e-01 3.39743679e-01 5.12917070e-01] [1.73787731e-02 8.39743679e-01 9.87082930e-01] [9.82621227e-01 8.39743679e-01 5.12917070e-01] [4.82621227e-01 6.60256321e-01 1.29170697e-02] [5.17378773e-01 6.60256321e-01 4.87082930e-01] [9.82621227e-01 1.60256321e-01 1.29170697e-02] [1.73787731e-02 1.60256321e-01 4.87082930e-01] [6.77248293e-01 9.74573974e-01 9.61235312e-01] [3.22751707e-01 9.74573974e-01 5.38764688e-01] [1.77248293e-01 4.74573974e-01 9.61235312e-01] [8.22751707e-01 4.74573974e-01 5.38764688e-01] [3.22751707e-01 2.54260264e-02 3.87646876e-02] [6.77248293e-01 2.54260264e-02 4.61235312e-01] [8.22751707e-01 5.25426026e-01 3.87646876e-02] [1.77248293e-01 5.25426026e-01 4.61235312e-01]] cellpar = Cell([[4.501478583030533, -2.01164398906769e-17, -2.475236171638512], [-1.7273642458569705e-17, 7.754664535256014, -1.8416527482590772e-16], [0.554948522290325, -6.535571115649024e-17, 4.262619777312222]]) forces = [[ 4.18742196e-27 -1.87986133e-09 4.46447654e-26] [ 4.18742196e-27 -1.87986133e-09 4.46447654e-26] [-4.18391974e-27 1.87986133e-09 -4.46178645e-26] [-4.18742196e-27 1.87986133e-09 -4.46447654e-26] [ 6.02486356e-27 -2.70474487e-09 6.42348976e-26] [ 6.02486356e-27 -2.70474487e-09 6.42348976e-26] [-6.07457813e-27 2.70474487e-09 -6.42075609e-26] [-6.08102355e-27 2.70474487e-09 -6.41986118e-26] [ 8.57176150e-10 6.23034423e-09 -5.26801656e-09] [-8.57176150e-10 6.23034423e-09 5.26801656e-09] [ 8.57176150e-10 6.23034423e-09 -5.26801656e-09] [-8.57176150e-10 6.23034423e-09 5.26801656e-09] [-8.57176150e-10 -6.23034423e-09 5.26801656e-09] [ 8.57176150e-10 -6.23034423e-09 -5.26801656e-09] [-8.57176150e-10 -6.23034423e-09 5.26801656e-09] [ 8.57176150e-10 -6.23034423e-09 -5.26801656e-09] [ 2.82315321e-09 2.48649899e-09 6.89227791e-09] [-2.82315321e-09 2.48649899e-09 -6.89227791e-09] [ 2.82315321e-09 2.48649899e-09 6.89227791e-09] [-2.82315321e-09 2.48649899e-09 -6.89227791e-09] [-2.82315321e-09 -2.48649899e-09 -6.89227791e-09] [ 2.82315321e-09 -2.48649899e-09 6.89227791e-09] [-2.82315321e-09 -2.48649899e-09 -6.89227791e-09] [ 2.82315321e-09 -2.48649899e-09 6.89227791e-09] [ 2.76979450e-10 -1.49065402e-09 4.22364971e-09] [-2.76979450e-10 -1.49065402e-09 -4.22364971e-09] [ 2.76979450e-10 -1.49065402e-09 4.22364971e-09] [-2.76979450e-10 -1.49065402e-09 -4.22364971e-09] [-2.76979450e-10 1.49065402e-09 -4.22364971e-09] [ 2.76979450e-10 1.49065402e-09 4.22364971e-09] [-2.76979450e-10 1.49065402e-09 -4.22364971e-09] [ 2.76979450e-10 1.49065402e-09 4.22364971e-09] [-1.82363971e-09 -1.37955005e-09 4.35459702e-09] [ 1.82363971e-09 -1.37955005e-09 -4.35459702e-09] [-1.82363971e-09 -1.37955005e-09 4.35459702e-09] [ 1.82363971e-09 -1.37955005e-09 -4.35459702e-09] [ 1.82363971e-09 1.37955005e-09 -4.35459702e-09] [-1.82363971e-09 1.37955005e-09 4.35459702e-09] [ 1.82363971e-09 1.37955005e-09 -4.35459702e-09] [-1.82363971e-09 1.37955005e-09 4.35459702e-09] [-6.61435058e-09 -6.24000824e-10 -2.47822867e-10] [ 6.61435058e-09 -6.24000824e-10 2.47822867e-10] [-6.61435058e-09 -6.24000824e-10 -2.47822867e-10] [ 6.61435058e-09 -6.24000824e-10 2.47822867e-10] [ 6.61435058e-09 6.24000824e-10 2.47822867e-10] [-6.61435058e-09 6.24000824e-10 -2.47822867e-10] [ 6.61435058e-09 6.24000824e-10 2.47822867e-10] [-6.61435058e-09 6.24000824e-10 -2.47822867e-10]] stress = [ 1.33715174e-10 -4.96725519e-10 -6.79854038e-10 2.79757176e-28 -1.16986663e-10 3.57470912e-27] energy per atom = -36.4817169400155 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0