element(s): ['Si'] AFLOW prototype label: A_oF16_69_gh Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['9.2787', '0.57961783', '0.52892108', '0.27623302', '0.77184474'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si'] representative atom coordinates = [[0. 0.27623302 0. ] [0.22815526 0. 0. ]] spacegroup = 69 cell = [[5.3781, 0, 0], [0, 9.2787, 0], [0, 0, 4.9077]] ========================================= Step Time Energy fmax BFGS: 0 16:00:43 1735.531410 118.827305 BFGS: 1 16:00:43 1717.865329 117.401830 BFGS: 2 16:00:43 1700.814351 116.019213 BFGS: 3 16:00:43 1684.174979 114.663661 BFGS: 4 16:00:43 1667.841830 113.328132 BFGS: 5 16:00:43 1651.760985 112.010116 BFGS: 6 16:00:43 1635.867982 110.704543 BFGS: 7 16:00:43 1620.131796 109.431563 BFGS: 8 16:00:43 1604.597845 108.171530 BFGS: 9 16:00:43 1589.258324 106.923302 BFGS: 10 16:00:43 1574.109252 105.686609 BFGS: 11 16:00:43 1559.138890 104.460732 BFGS: 12 16:00:43 1544.338227 103.245096 BFGS: 13 16:00:43 1529.705786 102.040883 BFGS: 14 16:00:43 1515.238234 100.847926 BFGS: 15 16:00:43 1500.932043 99.665834 BFGS: 16 16:00:43 1486.754837 98.493757 BFGS: 17 16:00:43 1472.701196 97.337291 BFGS: 18 16:00:43 1458.764582 96.187771 BFGS: 19 16:00:43 1444.923165 95.043943 BFGS: 20 16:00:43 1431.181104 93.909446 BFGS: 21 16:00:43 1417.539677 92.783252 BFGS: 22 16:00:43 1403.989514 91.664234 BFGS: 23 16:00:43 1390.489279 90.555864 BFGS: 24 16:00:43 1377.052119 89.457177 BFGS: 25 16:00:43 1363.786356 88.371607 BFGS: 26 16:00:43 1350.739497 87.353921 BFGS: 27 16:00:43 1337.930902 86.371053 BFGS: 28 16:00:43 1325.339198 85.404789 BFGS: 29 16:00:43 1312.959639 84.453483 BFGS: 30 16:00:43 1300.787526 83.516458 BFGS: 31 16:00:43 1288.791563 82.589649 BFGS: 32 16:00:43 1276.964392 81.677348 BFGS: 33 16:00:43 1265.295442 80.775370 BFGS: 34 16:00:43 1253.775238 79.881807 BFGS: 35 16:00:43 1242.400302 78.996469 BFGS: 36 16:00:43 1231.166659 78.120338 BFGS: 37 16:00:43 1220.057020 77.251147 BFGS: 38 16:00:43 1209.069903 76.389828 BFGS: 39 16:00:43 1198.203587 75.537022 BFGS: 40 16:00:43 1187.456572 74.690829 BFGS: 41 16:00:43 1176.827561 73.851169 BFGS: 42 16:00:43 1166.315154 73.022414 BFGS: 43 16:00:43 1155.917443 72.203185 BFGS: 44 16:00:43 1145.622079 71.389592 BFGS: 45 16:00:43 1135.428580 70.582369 BFGS: 46 16:00:43 1125.312026 69.779542 BFGS: 47 16:00:43 1115.336091 68.992171 BFGS: 48 16:00:43 1105.497890 68.214469 BFGS: 49 16:00:43 1095.793813 67.453634 BFGS: 50 16:00:43 1086.220129 66.712988 BFGS: 51 16:00:43 1076.747592 65.989198 BFGS: 52 16:00:43 1067.343527 65.277311 BFGS: 53 16:00:43 1057.997798 64.584557 BFGS: 54 16:00:43 1048.733707 63.898315 BFGS: 55 16:00:43 1039.537178 63.219759 BFGS: 56 16:00:43 1030.402375 62.574456 BFGS: 57 16:00:43 1021.331483 61.930611 BFGS: 58 16:00:43 1012.326506 61.288442 BFGS: 59 16:00:43 1003.389258 60.649395 BFGS: 60 16:00:43 994.520555 60.016496 BFGS: 61 16:00:43 985.720681 59.385720 BFGS: 62 16:00:43 976.990855 58.762339 BFGS: 63 16:00:43 968.321892 58.150744 BFGS: 64 16:00:43 959.719945 57.546127 BFGS: 65 16:00:43 951.190957 56.944794 BFGS: 66 16:00:43 942.762935 56.348733 BFGS: 67 16:00:43 934.434344 55.757855 BFGS: 68 16:00:43 926.203706 55.172077 BFGS: 69 16:00:43 918.068721 54.591275 BFGS: 70 16:00:43 910.025720 54.015250 BFGS: 71 16:00:43 902.073610 53.443935 BFGS: 72 16:00:43 894.211334 52.877264 BFGS: 73 16:00:43 886.437864 52.315175 BFGS: 74 16:00:43 878.751520 51.759554 BFGS: 75 16:00:43 871.128503 51.208151 BFGS: 76 16:00:43 863.565384 50.660102 BFGS: 77 16:00:43 856.083035 50.116878 BFGS: 78 16:00:43 848.680332 49.578360 BFGS: 79 16:00:43 841.356048 49.044439 BFGS: 80 16:00:43 834.119030 48.515867 BFGS: 81 16:00:43 826.967892 47.992511 BFGS: 82 16:00:43 819.901065 47.474227 BFGS: 83 16:00:43 812.917076 46.960879 BFGS: 84 16:00:43 806.014538 46.455129 BFGS: 85 16:00:43 799.192145 45.961705 BFGS: 86 16:00:43 792.448661 45.472268 BFGS: 87 16:00:43 785.782458 44.990492 BFGS: 88 16:00:43 779.190125 44.512903 BFGS: 89 16:00:43 772.660827 44.038827 BFGS: 90 16:00:43 766.188231 43.569417 BFGS: 91 16:00:43 759.774695 43.104859 BFGS: 92 16:00:43 753.422543 42.644336 BFGS: 93 16:00:43 747.127878 42.214878 BFGS: 94 16:00:43 740.882609 41.786795 BFGS: 95 16:00:43 734.687210 41.360135 BFGS: 96 16:00:43 728.542100 40.939477 BFGS: 97 16:00:43 722.444010 40.541159 BFGS: 98 16:00:43 716.461284 40.148267 BFGS: 99 16:00:43 710.590416 39.760658 BFGS: 100 16:00:43 704.826802 39.380009 BFGS: 101 16:00:43 699.158498 39.006581 BFGS: 102 16:00:43 693.572089 38.637065 BFGS: 103 16:00:43 688.064666 38.271142 BFGS: 104 16:00:43 682.634105 37.908714 BFGS: 105 16:00:43 677.278392 37.549694 BFGS: 106 16:00:43 671.995616 37.193994 BFGS: 107 16:00:43 666.783965 36.841533 BFGS: 108 16:00:43 661.641715 36.492234 BFGS: 109 16:00:43 656.567043 36.148094 BFGS: 110 16:00:43 651.550435 35.809621 BFGS: 111 16:00:43 646.581432 35.473334 BFGS: 112 16:00:43 641.659587 35.139210 BFGS: 113 16:00:43 636.784466 34.807228 BFGS: 114 16:00:44 631.955645 34.477363 BFGS: 115 16:00:44 627.172712 34.149596 BFGS: 116 16:00:44 622.435266 33.823905 BFGS: 117 16:00:44 617.742565 33.502327 BFGS: 118 16:00:44 613.087900 33.183276 BFGS: 119 16:00:44 608.469170 32.878846 BFGS: 120 16:00:44 603.887981 32.578230 BFGS: 121 16:00:44 599.345250 32.279474 BFGS: 122 16:00:44 594.840732 31.982563 BFGS: 123 16:00:44 590.372125 31.687361 BFGS: 124 16:00:44 585.939238 31.400100 BFGS: 125 16:00:44 581.542433 31.137391 BFGS: 126 16:00:44 577.186791 30.879209 BFGS: 127 16:00:44 572.868966 30.622726 BFGS: 128 16:00:44 568.588529 30.367927 BFGS: 129 16:00:44 564.342997 30.114695 BFGS: 130 16:00:44 560.132131 29.863018 BFGS: 131 16:00:44 555.955707 29.612880 BFGS: 132 16:00:44 551.813500 29.364269 BFGS: 133 16:00:44 547.705289 29.117172 BFGS: 134 16:00:44 543.630682 28.871576 BFGS: 135 16:00:44 539.585674 28.627319 BFGS: 136 16:00:44 535.569603 28.384368 BFGS: 137 16:00:44 531.582369 28.142717 BFGS: 138 16:00:44 527.622182 27.902301 BFGS: 139 16:00:44 523.686383 27.663012 BFGS: 140 16:00:44 519.775051 27.424847 BFGS: 141 16:00:44 515.888261 27.187806 BFGS: 142 16:00:44 512.026085 26.951888 BFGS: 143 16:00:44 508.188587 26.717091 BFGS: 144 16:00:44 504.375809 26.483414 BFGS: 145 16:00:44 500.586828 26.251211 BFGS: 146 16:00:44 496.820536 26.022261 BFGS: 147 16:00:44 493.077752 25.794385 BFGS: 148 16:00:44 489.358372 25.567581 BFGS: 149 16:00:44 485.659065 25.341740 BFGS: 150 16:00:44 481.977659 25.116785 BFGS: 151 16:00:44 478.313807 24.892701 BFGS: 152 16:00:44 474.667664 24.674544 BFGS: 153 16:00:44 471.040563 24.463006 BFGS: 154 16:00:44 467.434612 24.252469 BFGS: 155 16:00:44 463.849935 24.050101 BFGS: 156 16:00:44 460.286651 23.854550 BFGS: 157 16:00:44 456.744874 23.659737 BFGS: 158 16:00:44 453.224711 23.465664 BFGS: 159 16:00:44 449.728547 23.272468 BFGS: 160 16:00:44 446.264421 23.080640 BFGS: 161 16:00:44 442.830281 22.890095 BFGS: 162 16:00:44 439.425904 22.700820 BFGS: 163 16:00:44 436.051072 22.512802 BFGS: 164 16:00:44 432.707454 22.326136 BFGS: 165 16:00:44 429.395502 22.144680 BFGS: 166 16:00:44 426.111818 21.967623 BFGS: 167 16:00:44 422.854142 21.791596 BFGS: 168 16:00:44 419.622335 21.616596 BFGS: 169 16:00:44 416.417259 21.442671 BFGS: 170 16:00:44 413.239509 21.269856 BFGS: 171 16:00:44 410.088859 21.098140 BFGS: 172 16:00:44 406.965091 20.927514 BFGS: 173 16:00:44 403.867915 20.757969 BFGS: 174 16:00:44 400.795832 20.589450 BFGS: 175 16:00:44 397.748325 20.421937 BFGS: 176 16:00:44 394.725232 20.255421 BFGS: 177 16:00:44 391.726390 20.089893 BFGS: 178 16:00:44 388.751639 19.925345 BFGS: 179 16:00:44 385.800819 19.761768 BFGS: 180 16:00:44 382.873776 19.599154 BFGS: 181 16:00:44 379.970353 19.437496 BFGS: 182 16:00:44 377.090400 19.276785 BFGS: 183 16:00:44 374.233765 19.117014 BFGS: 184 16:00:44 371.400302 18.958176 BFGS: 185 16:00:44 368.589863 18.800263 BFGS: 186 16:00:44 365.802305 18.643267 BFGS: 187 16:00:44 363.037487 18.487181 BFGS: 188 16:00:44 360.295269 18.331999 BFGS: 189 16:00:44 357.575515 18.177714 BFGS: 190 16:00:44 354.878385 18.024334 BFGS: 191 16:00:44 352.203987 17.871869 BFGS: 192 16:00:44 349.552187 17.720310 BFGS: 193 16:00:44 346.922851 17.569652 BFGS: 194 16:00:44 344.315848 17.419888 BFGS: 195 16:00:44 341.731044 17.271012 BFGS: 196 16:00:44 339.168312 17.123017 BFGS: 197 16:00:44 336.627521 16.975896 BFGS: 198 16:00:44 334.108544 16.829644 BFGS: 199 16:00:44 331.611254 16.684253 BFGS: 200 16:00:44 329.135526 16.539719 BFGS: 201 16:00:44 326.681236 16.396035 BFGS: 202 16:00:44 324.248259 16.253194 BFGS: 203 16:00:44 321.836473 16.111190 BFGS: 204 16:00:44 319.445758 15.970018 BFGS: 205 16:00:44 317.075992 15.829671 BFGS: 206 16:00:44 314.727057 15.690143 BFGS: 207 16:00:44 312.398833 15.551428 BFGS: 208 16:00:44 310.091205 15.413521 BFGS: 209 16:00:44 307.804055 15.276414 BFGS: 210 16:00:44 305.537268 15.140104 BFGS: 211 16:00:44 303.290730 15.004582 BFGS: 212 16:00:44 301.064326 14.869845 BFGS: 213 16:00:44 298.857945 14.735885 BFGS: 214 16:00:44 296.671474 14.602697 BFGS: 215 16:00:44 294.504797 14.470553 BFGS: 216 16:00:44 292.357923 14.342501 BFGS: 217 16:00:44 290.231646 14.216458 BFGS: 218 16:00:45 288.125819 14.091207 BFGS: 219 16:00:45 286.040293 13.966740 BFGS: 220 16:00:45 283.974917 13.843051 BFGS: 221 16:00:45 281.929237 13.720119 BFGS: 222 16:00:45 279.902624 13.597911 BFGS: 223 16:00:45 277.894945 13.476425 BFGS: 224 16:00:45 275.906064 13.355657 BFGS: 225 16:00:45 273.935850 13.235882 BFGS: 226 16:00:45 271.984045 13.121183 BFGS: 227 16:00:45 270.051449 13.007251 BFGS: 228 16:00:45 268.137771 12.894084 BFGS: 229 16:00:45 266.241496 12.781630 BFGS: 230 16:00:45 264.362133 12.669869 BFGS: 231 16:00:45 262.499559 12.558798 BFGS: 232 16:00:45 260.653655 12.449127 BFGS: 233 16:00:45 258.824237 12.344325 BFGS: 234 16:00:45 257.012077 12.240199 BFGS: 235 16:00:45 255.216980 12.136742 BFGS: 236 16:00:45 253.438201 12.033935 BFGS: 237 16:00:45 251.675463 11.931764 BFGS: 238 16:00:45 249.928656 11.832750 BFGS: 239 16:00:45 248.197671 11.734606 BFGS: 240 16:00:45 246.482368 11.637693 BFGS: 241 16:00:45 244.782798 11.542244 BFGS: 242 16:00:45 243.099331 11.447363 BFGS: 243 16:00:45 241.431829 11.353045 BFGS: 244 16:00:45 239.780154 11.259284 BFGS: 245 16:00:45 238.144169 11.166076 BFGS: 246 16:00:45 236.523741 11.073414 BFGS: 247 16:00:45 234.918739 10.981295 BFGS: 248 16:00:45 233.329032 10.889712 BFGS: 249 16:00:45 231.754492 10.798661 BFGS: 250 16:00:45 230.194995 10.708136 BFGS: 251 16:00:45 228.650415 10.618134 BFGS: 252 16:00:45 227.120630 10.528650 BFGS: 253 16:00:45 225.605520 10.439678 BFGS: 254 16:00:45 224.104966 10.351214 BFGS: 255 16:00:45 222.618802 10.263901 BFGS: 256 16:00:45 221.146430 10.177234 BFGS: 257 16:00:45 219.687494 10.091555 BFGS: 258 16:00:45 218.240884 10.006529 BFGS: 259 16:00:45 216.806176 9.923202 BFGS: 260 16:00:45 215.382374 9.840554 BFGS: 261 16:00:45 213.969269 9.758304 BFGS: 262 16:00:45 212.566490 9.677246 BFGS: 263 16:00:45 211.172792 9.596932 BFGS: 264 16:00:45 209.787816 9.517331 BFGS: 265 16:00:45 208.411321 9.438067 BFGS: 266 16:00:45 207.043298 9.359138 BFGS: 267 16:00:45 205.683741 9.280543 BFGS: 268 16:00:45 204.332640 9.202280 BFGS: 269 16:00:45 202.989989 9.124348 BFGS: 270 16:00:45 201.655779 9.046745 BFGS: 271 16:00:45 200.330002 8.969471 BFGS: 272 16:00:45 199.012650 8.892522 BFGS: 273 16:00:45 197.703714 8.815900 BFGS: 274 16:00:45 196.403184 8.739601 BFGS: 275 16:00:45 195.111053 8.676512 BFGS: 276 16:00:45 193.827311 8.617657 BFGS: 277 16:00:45 192.551948 8.558947 BFGS: 278 16:00:45 191.284955 8.500382 BFGS: 279 16:00:45 190.026323 8.441961 BFGS: 280 16:00:45 188.776042 8.383686 BFGS: 281 16:00:45 187.539302 8.325800 BFGS: 282 16:00:45 186.316530 8.268327 BFGS: 283 16:00:45 185.107154 8.211255 BFGS: 284 16:00:45 183.909958 8.154562 BFGS: 285 16:00:45 182.723082 8.098196 BFGS: 286 16:00:45 181.546442 8.042156 BFGS: 287 16:00:45 180.379954 7.986438 BFGS: 288 16:00:45 179.223534 7.931040 BFGS: 289 16:00:45 178.077100 7.875958 BFGS: 290 16:00:45 176.940571 7.821190 BFGS: 291 16:00:45 175.813868 7.766732 BFGS: 292 16:00:45 174.696911 7.712582 BFGS: 293 16:00:45 173.589622 7.658738 BFGS: 294 16:00:45 172.491924 7.605196 BFGS: 295 16:00:45 171.403740 7.551954 BFGS: 296 16:00:45 170.324732 7.502270 BFGS: 297 16:00:45 169.253389 7.456553 BFGS: 298 16:00:45 168.188466 7.412107 BFGS: 299 16:00:45 167.129713 7.367871 BFGS: 300 16:00:45 166.077104 7.323845 BFGS: 301 16:00:45 165.030612 7.280028 BFGS: 302 16:00:45 163.990211 7.236417 BFGS: 303 16:00:45 162.955875 7.193011 BFGS: 304 16:00:45 161.927576 7.149810 BFGS: 305 16:00:45 160.905290 7.106811 BFGS: 306 16:00:45 159.888990 7.064014 BFGS: 307 16:00:45 158.878650 7.021417 BFGS: 308 16:00:45 157.874245 6.979019 BFGS: 309 16:00:45 156.875748 6.936818 BFGS: 310 16:00:45 155.883136 6.894814 BFGS: 311 16:00:45 154.896381 6.853006 BFGS: 312 16:00:45 153.915460 6.811391 BFGS: 313 16:00:45 152.940346 6.769968 BFGS: 314 16:00:45 151.971015 6.728737 BFGS: 315 16:00:45 151.007443 6.687697 BFGS: 316 16:00:45 150.049604 6.646845 BFGS: 317 16:00:45 149.097474 6.606181 BFGS: 318 16:00:45 148.151029 6.565704 BFGS: 319 16:00:45 147.210244 6.525412 BFGS: 320 16:00:45 146.275095 6.485305 BFGS: 321 16:00:45 145.345558 6.445381 BFGS: 322 16:00:45 144.421608 6.405639 BFGS: 323 16:00:45 143.503223 6.366077 BFGS: 324 16:00:45 142.590379 6.326696 BFGS: 325 16:00:45 141.683051 6.287493 BFGS: 326 16:00:45 140.781217 6.248468 BFGS: 327 16:00:45 139.884853 6.209620 BFGS: 328 16:00:45 138.993936 6.170946 BFGS: 329 16:00:45 138.108443 6.132447 BFGS: 330 16:00:45 137.228350 6.094122 BFGS: 331 16:00:45 136.353636 6.055969 BFGS: 332 16:00:45 135.484277 6.017986 BFGS: 333 16:00:45 134.620250 5.980174 BFGS: 334 16:00:45 133.761534 5.942532 BFGS: 335 16:00:45 132.908105 5.905057 BFGS: 336 16:00:45 132.059942 5.867749 BFGS: 337 16:00:45 131.217022 5.830608 BFGS: 338 16:00:45 130.379323 5.793631 BFGS: 339 16:00:45 129.546824 5.756819 BFGS: 340 16:00:45 128.719486 5.722103 BFGS: 341 16:00:45 127.897379 5.691151 BFGS: 342 16:00:45 127.080963 5.660356 BFGS: 343 16:00:45 126.270199 5.629715 BFGS: 344 16:00:45 125.465046 5.599228 BFGS: 345 16:00:45 124.665468 5.568895 BFGS: 346 16:00:45 123.871425 5.538713 BFGS: 347 16:00:45 123.082881 5.508681 BFGS: 348 16:00:45 122.299796 5.478799 BFGS: 349 16:00:45 121.522136 5.449065 BFGS: 350 16:00:45 120.749861 5.419479 BFGS: 351 16:00:46 119.982938 5.390038 BFGS: 352 16:00:46 119.221328 5.360743 BFGS: 353 16:00:46 118.464998 5.331592 BFGS: 354 16:00:46 117.713911 5.302583 BFGS: 355 16:00:46 116.968032 5.273717 BFGS: 356 16:00:46 116.227327 5.244992 BFGS: 357 16:00:46 115.491761 5.216407 BFGS: 358 16:00:46 114.761301 5.187960 BFGS: 359 16:00:46 114.035912 5.159652 BFGS: 360 16:00:46 113.315561 5.131480 BFGS: 361 16:00:46 112.600216 5.103445 BFGS: 362 16:00:46 111.889843 5.075545 BFGS: 363 16:00:46 111.184410 5.047778 BFGS: 364 16:00:46 110.483885 5.020145 BFGS: 365 16:00:46 109.788235 4.992645 BFGS: 366 16:00:46 109.097430 4.965275 BFGS: 367 16:00:46 108.411437 4.938036 BFGS: 368 16:00:46 107.730227 4.910927 BFGS: 369 16:00:46 107.053767 4.883946 BFGS: 370 16:00:46 106.382028 4.857093 BFGS: 371 16:00:46 105.714978 4.830367 BFGS: 372 16:00:46 105.052590 4.803767 BFGS: 373 16:00:46 104.394831 4.777293 BFGS: 374 16:00:46 103.741674 4.750942 BFGS: 375 16:00:46 103.093089 4.724715 BFGS: 376 16:00:46 102.449047 4.698611 BFGS: 377 16:00:46 101.809519 4.672629 BFGS: 378 16:00:46 101.174461 4.646767 BFGS: 379 16:00:46 100.543611 4.621023 BFGS: 380 16:00:46 99.916666 4.595390 BFGS: 381 16:00:46 99.293409 4.569867 BFGS: 382 16:00:46 98.673284 4.544443 BFGS: 383 16:00:46 98.056238 4.519118 BFGS: 384 16:00:46 97.442183 4.493891 BFGS: 385 16:00:46 96.831057 4.468759 BFGS: 386 16:00:46 96.222850 4.443724 BFGS: 387 16:00:46 95.617554 4.418784 BFGS: 388 16:00:46 95.015161 4.393938 BFGS: 389 16:00:46 94.415661 4.369187 BFGS: 390 16:00:46 93.819046 4.344529 BFGS: 391 16:00:46 93.225308 4.319966 BFGS: 392 16:00:46 92.634438 4.295495 BFGS: 393 16:00:46 92.046428 4.271116 BFGS: 394 16:00:46 91.461269 4.246830 BFGS: 395 16:00:46 90.878953 4.222636 BFGS: 396 16:00:46 90.299472 4.198532 BFGS: 397 16:00:46 89.722817 4.174520 BFGS: 398 16:00:46 89.148980 4.150597 BFGS: 399 16:00:46 88.577952 4.126765 BFGS: 400 16:00:46 88.009726 4.103022 BFGS: 401 16:00:46 87.444293 4.079368 BFGS: 402 16:00:46 86.881645 4.055803 BFGS: 403 16:00:46 86.321774 4.032326 BFGS: 404 16:00:46 85.764671 4.008937 BFGS: 405 16:00:46 85.210329 3.985636 BFGS: 406 16:00:46 84.658740 3.962421 BFGS: 407 16:00:46 84.109895 3.939293 BFGS: 408 16:00:46 83.563787 3.916251 BFGS: 409 16:00:46 83.020407 3.893295 BFGS: 410 16:00:46 82.479748 3.870424 BFGS: 411 16:00:46 81.941801 3.847638 BFGS: 412 16:00:46 81.406559 3.824937 BFGS: 413 16:00:46 80.874014 3.802320 BFGS: 414 16:00:46 80.344158 3.779787 BFGS: 415 16:00:46 79.816984 3.757337 BFGS: 416 16:00:46 79.292482 3.734970 BFGS: 417 16:00:46 78.770647 3.712685 BFGS: 418 16:00:46 78.251469 3.690483 BFGS: 419 16:00:46 77.734942 3.668363 BFGS: 420 16:00:46 77.221058 3.646324 BFGS: 421 16:00:46 76.709808 3.624366 BFGS: 422 16:00:46 76.201186 3.602489 BFGS: 423 16:00:46 75.695184 3.580693 BFGS: 424 16:00:46 75.191795 3.558976 BFGS: 425 16:00:46 74.691009 3.537339 BFGS: 426 16:00:46 74.192822 3.515781 BFGS: 427 16:00:46 73.697224 3.494302 BFGS: 428 16:00:46 73.204208 3.472902 BFGS: 429 16:00:46 72.713768 3.451579 BFGS: 430 16:00:46 72.225895 3.430335 BFGS: 431 16:00:46 71.740582 3.409168 BFGS: 432 16:00:46 71.257823 3.388078 BFGS: 433 16:00:46 70.777609 3.367065 BFGS: 434 16:00:46 70.299933 3.346128 BFGS: 435 16:00:46 69.824788 3.325267 BFGS: 436 16:00:46 69.352167 3.304482 BFGS: 437 16:00:46 68.882063 3.283772 BFGS: 438 16:00:46 68.414469 3.263137 BFGS: 439 16:00:46 67.949377 3.242577 BFGS: 440 16:00:46 67.486780 3.222092 BFGS: 441 16:00:46 67.026671 3.201680 BFGS: 442 16:00:46 66.569043 3.181342 BFGS: 443 16:00:46 66.113890 3.161078 BFGS: 444 16:00:46 65.661203 3.140886 BFGS: 445 16:00:46 65.210976 3.120767 BFGS: 446 16:00:46 64.763203 3.100721 BFGS: 447 16:00:46 64.317875 3.080746 BFGS: 448 16:00:46 63.874987 3.060843 BFGS: 449 16:00:46 63.434531 3.041012 BFGS: 450 16:00:46 62.996501 3.021252 BFGS: 451 16:00:46 62.560889 3.001563 BFGS: 452 16:00:46 62.127689 2.981944 BFGS: 453 16:00:46 61.696894 2.962395 BFGS: 454 16:00:46 61.268497 2.942916 BFGS: 455 16:00:46 60.842492 2.923507 BFGS: 456 16:00:46 60.418871 2.904166 BFGS: 457 16:00:46 59.997629 2.884895 BFGS: 458 16:00:46 59.578757 2.865693 BFGS: 459 16:00:46 59.162251 2.846558 BFGS: 460 16:00:46 58.748102 2.827492 BFGS: 461 16:00:46 58.336305 2.808494 BFGS: 462 16:00:46 57.926853 2.789563 BFGS: 463 16:00:46 57.519739 2.770699 BFGS: 464 16:00:46 57.114957 2.751902 BFGS: 465 16:00:46 56.712500 2.733171 BFGS: 466 16:00:46 56.312361 2.716053 BFGS: 467 16:00:46 55.914535 2.699915 BFGS: 468 16:00:46 55.519015 2.683829 BFGS: 469 16:00:46 55.125795 2.667796 BFGS: 470 16:00:46 54.734867 2.651814 BFGS: 471 16:00:46 54.346226 2.635885 BFGS: 472 16:00:46 53.959865 2.620007 BFGS: 473 16:00:46 53.575778 2.604180 BFGS: 474 16:00:46 53.193958 2.588404 BFGS: 475 16:00:46 52.814400 2.572679 BFGS: 476 16:00:46 52.437097 2.557005 BFGS: 477 16:00:46 52.062043 2.541381 BFGS: 478 16:00:46 51.689231 2.525808 BFGS: 479 16:00:46 51.318656 2.510284 BFGS: 480 16:00:46 50.950311 2.494810 BFGS: 481 16:00:46 50.584189 2.479386 BFGS: 482 16:00:46 50.220286 2.464011 BFGS: 483 16:00:46 49.858595 2.448685 BFGS: 484 16:00:46 49.499109 2.433408 BFGS: 485 16:00:46 49.141823 2.418180 BFGS: 486 16:00:46 48.786730 2.403000 BFGS: 487 16:00:46 48.433825 2.387869 BFGS: 488 16:00:46 48.083102 2.372785 BFGS: 489 16:00:46 47.734554 2.357749 BFGS: 490 16:00:46 47.388176 2.342761 BFGS: 491 16:00:46 47.043961 2.327821 BFGS: 492 16:00:47 46.701904 2.312927 BFGS: 493 16:00:47 46.361999 2.298081 BFGS: 494 16:00:47 46.024241 2.283281 BFGS: 495 16:00:47 45.688622 2.268528 BFGS: 496 16:00:47 45.355138 2.253821 BFGS: 497 16:00:47 45.023783 2.239161 BFGS: 498 16:00:47 44.694550 2.224546 BFGS: 499 16:00:47 44.367435 2.209978 BFGS: 500 16:00:47 44.042431 2.195454 BFGS: 501 16:00:47 43.719532 2.180977 BFGS: 502 16:00:47 43.398734 2.166544 BFGS: 503 16:00:47 43.080030 2.152156 BFGS: 504 16:00:47 42.763415 2.137814 BFGS: 505 16:00:47 42.448883 2.123515 BFGS: 506 16:00:47 42.136428 2.109261 BFGS: 507 16:00:47 41.826238 2.095061 BFGS: 508 16:00:47 41.518341 2.080914 BFGS: 509 16:00:47 41.212727 2.066822 BFGS: 510 16:00:47 40.909386 2.052784 BFGS: 511 16:00:47 40.608308 2.038799 BFGS: 512 16:00:47 40.309483 2.024868 BFGS: 513 16:00:47 40.012902 2.010990 BFGS: 514 16:00:47 39.718555 1.997165 BFGS: 515 16:00:47 39.426433 1.983392 BFGS: 516 16:00:47 39.136526 1.969671 BFGS: 517 16:00:47 38.848824 1.956003 BFGS: 518 16:00:47 38.563318 1.942386 BFGS: 519 16:00:47 38.279999 1.928821 BFGS: 520 16:00:47 37.998857 1.915307 BFGS: 521 16:00:47 37.719883 1.901844 BFGS: 522 16:00:47 37.443068 1.888431 BFGS: 523 16:00:47 37.168403 1.875069 BFGS: 524 16:00:47 36.895878 1.861757 BFGS: 525 16:00:47 36.625484 1.848495 BFGS: 526 16:00:47 36.357213 1.835283 BFGS: 527 16:00:47 36.091056 1.822120 BFGS: 528 16:00:47 35.827003 1.809007 BFGS: 529 16:00:47 35.565045 1.795942 BFGS: 530 16:00:47 35.305174 1.782926 BFGS: 531 16:00:47 35.047381 1.769958 BFGS: 532 16:00:47 34.791658 1.757039 BFGS: 533 16:00:47 34.537995 1.744168 BFGS: 534 16:00:47 34.286384 1.731344 BFGS: 535 16:00:47 34.036816 1.718568 BFGS: 536 16:00:47 33.789283 1.705839 BFGS: 537 16:00:47 33.543776 1.693156 BFGS: 538 16:00:47 33.300287 1.680521 BFGS: 539 16:00:47 33.058808 1.667933 BFGS: 540 16:00:47 32.819329 1.655390 BFGS: 541 16:00:47 32.581843 1.642894 BFGS: 542 16:00:47 32.346342 1.630443 BFGS: 543 16:00:47 32.112816 1.618039 BFGS: 544 16:00:47 31.881259 1.605679 BFGS: 545 16:00:47 31.651662 1.593365 BFGS: 546 16:00:47 31.424016 1.581096 BFGS: 547 16:00:47 31.198314 1.568871 BFGS: 548 16:00:47 30.974547 1.556691 BFGS: 549 16:00:47 30.752709 1.544555 BFGS: 550 16:00:47 30.532789 1.532464 BFGS: 551 16:00:47 30.314782 1.520416 BFGS: 552 16:00:47 30.098679 1.508412 BFGS: 553 16:00:47 29.884471 1.496451 BFGS: 554 16:00:47 29.672152 1.484534 BFGS: 555 16:00:47 29.461714 1.472700 BFGS: 556 16:00:47 29.253148 1.460910 BFGS: 557 16:00:47 29.046448 1.449162 BFGS: 558 16:00:47 28.841605 1.437457 BFGS: 559 16:00:47 28.638612 1.425793 BFGS: 560 16:00:47 28.437461 1.414171 BFGS: 561 16:00:47 28.238146 1.402591 BFGS: 562 16:00:47 28.040658 1.391053 BFGS: 563 16:00:47 27.844989 1.379556 BFGS: 564 16:00:47 27.651134 1.368099 BFGS: 565 16:00:47 27.459083 1.356684 BFGS: 566 16:00:47 27.268830 1.345309 BFGS: 567 16:00:47 27.080368 1.333974 BFGS: 568 16:00:47 26.893689 1.322680 BFGS: 569 16:00:47 26.708786 1.311426 BFGS: 570 16:00:47 26.525597 1.301712 BFGS: 571 16:00:47 26.343946 1.292881 BFGS: 572 16:00:47 26.163811 1.284117 BFGS: 573 16:00:47 25.985174 1.275422 BFGS: 574 16:00:47 25.807863 1.266795 BFGS: 575 16:00:47 25.631620 1.258233 BFGS: 576 16:00:47 25.456431 1.249736 BFGS: 577 16:00:47 25.282278 1.241304 BFGS: 578 16:00:47 25.109146 1.234135 BFGS: 579 16:00:47 24.936912 1.227952 BFGS: 580 16:00:47 24.765468 1.221824 BFGS: 581 16:00:47 24.594813 1.215717 BFGS: 582 16:00:47 24.424946 1.209630 BFGS: 583 16:00:47 24.255863 1.203565 BFGS: 584 16:00:47 24.087561 1.197520 BFGS: 585 16:00:47 23.920040 1.191495 BFGS: 586 16:00:47 23.753295 1.185491 BFGS: 587 16:00:47 23.587326 1.179507 BFGS: 588 16:00:47 23.422128 1.173543 BFGS: 589 16:00:47 23.257701 1.167600 BFGS: 590 16:00:47 23.094041 1.161676 BFGS: 591 16:00:47 22.931147 1.155773 BFGS: 592 16:00:47 22.769016 1.149889 BFGS: 593 16:00:47 22.607645 1.144025 BFGS: 594 16:00:47 22.447033 1.138181 BFGS: 595 16:00:47 22.287176 1.132356 BFGS: 596 16:00:47 22.128074 1.126551 BFGS: 597 16:00:47 21.969723 1.120765 BFGS: 598 16:00:47 21.812121 1.114998 BFGS: 599 16:00:47 21.655266 1.109251 BFGS: 600 16:00:47 21.499156 1.103523 BFGS: 601 16:00:47 21.343788 1.097814 BFGS: 602 16:00:47 21.189161 1.092124 BFGS: 603 16:00:47 21.035271 1.086453 BFGS: 604 16:00:47 20.882118 1.080801 BFGS: 605 16:00:47 20.729698 1.075167 BFGS: 606 16:00:47 20.578010 1.069552 BFGS: 607 16:00:47 20.427052 1.063956 BFGS: 608 16:00:47 20.276820 1.058378 BFGS: 609 16:00:47 20.127314 1.052819 BFGS: 610 16:00:47 19.978531 1.047278 BFGS: 611 16:00:47 19.830468 1.041755 BFGS: 612 16:00:47 19.683124 1.036250 BFGS: 613 16:00:47 19.536497 1.030764 BFGS: 614 16:00:47 19.390585 1.025295 BFGS: 615 16:00:47 19.245385 1.019844 BFGS: 616 16:00:47 19.100896 1.014412 BFGS: 617 16:00:47 18.957115 1.008997 BFGS: 618 16:00:47 18.814041 1.003599 BFGS: 619 16:00:47 18.671671 0.998219 BFGS: 620 16:00:47 18.530003 0.992857 BFGS: 621 16:00:47 18.389035 0.987512 BFGS: 622 16:00:47 18.248766 0.982185 BFGS: 623 16:00:47 18.109194 0.976875 BFGS: 624 16:00:47 17.970316 0.971582 BFGS: 625 16:00:47 17.832130 0.966306 BFGS: 626 16:00:47 17.694634 0.961048 BFGS: 627 16:00:47 17.557827 0.955806 BFGS: 628 16:00:47 17.421707 0.950581 BFGS: 629 16:00:47 17.286271 0.945373 BFGS: 630 16:00:47 17.151518 0.940182 BFGS: 631 16:00:47 17.017446 0.935008 BFGS: 632 16:00:47 16.884052 0.929850 BFGS: 633 16:00:47 16.751336 0.924708 BFGS: 634 16:00:47 16.619294 0.919584 BFGS: 635 16:00:47 16.487926 0.914475 BFGS: 636 16:00:47 16.357229 0.909383 BFGS: 637 16:00:47 16.227201 0.904307 BFGS: 638 16:00:47 16.097840 0.899247 BFGS: 639 16:00:48 15.969146 0.894204 BFGS: 640 16:00:48 15.841115 0.889176 BFGS: 641 16:00:48 15.713746 0.884164 BFGS: 642 16:00:48 15.587037 0.879169 BFGS: 643 16:00:48 15.460986 0.874189 BFGS: 644 16:00:48 15.335592 0.869224 BFGS: 645 16:00:48 15.210852 0.864276 BFGS: 646 16:00:48 15.086764 0.859343 BFGS: 647 16:00:48 14.963328 0.854425 BFGS: 648 16:00:48 14.840541 0.849523 BFGS: 649 16:00:48 14.718401 0.844637 BFGS: 650 16:00:48 14.596906 0.839765 BFGS: 651 16:00:48 14.476055 0.834909 BFGS: 652 16:00:48 14.355845 0.830068 BFGS: 653 16:00:48 14.236276 0.825243 BFGS: 654 16:00:48 14.117344 0.820432 BFGS: 655 16:00:48 13.999049 0.815636 BFGS: 656 16:00:48 13.881389 0.810855 BFGS: 657 16:00:48 13.764361 0.806089 BFGS: 658 16:00:48 13.647964 0.801338 BFGS: 659 16:00:48 13.532196 0.796601 BFGS: 660 16:00:48 13.417056 0.791880 BFGS: 661 16:00:48 13.302541 0.787172 BFGS: 662 16:00:48 13.188650 0.782479 BFGS: 663 16:00:48 13.075381 0.777801 BFGS: 664 16:00:48 12.962732 0.773137 BFGS: 665 16:00:48 12.850702 0.768487 BFGS: 666 16:00:48 12.739288 0.763852 BFGS: 667 16:00:48 12.628489 0.759230 BFGS: 668 16:00:48 12.518303 0.754623 BFGS: 669 16:00:48 12.408728 0.750030 BFGS: 670 16:00:48 12.299762 0.745451 BFGS: 671 16:00:48 12.191405 0.740885 BFGS: 672 16:00:48 12.083653 0.736334 BFGS: 673 16:00:48 11.976505 0.731797 BFGS: 674 16:00:48 11.869959 0.727273 BFGS: 675 16:00:48 11.764014 0.722763 BFGS: 676 16:00:48 11.658668 0.718266 BFGS: 677 16:00:48 11.553919 0.713783 BFGS: 678 16:00:48 11.449764 0.709313 BFGS: 679 16:00:48 11.346204 0.704857 BFGS: 680 16:00:48 11.243234 0.700415 BFGS: 681 16:00:48 11.140855 0.695985 BFGS: 682 16:00:48 11.039063 0.691569 BFGS: 683 16:00:48 10.937858 0.687166 BFGS: 684 16:00:48 10.837237 0.682777 BFGS: 685 16:00:48 10.737199 0.678400 BFGS: 686 16:00:48 10.637742 0.674036 BFGS: 687 16:00:48 10.538863 0.669686 BFGS: 688 16:00:48 10.440562 0.665348 BFGS: 689 16:00:48 10.342837 0.661023 BFGS: 690 16:00:48 10.245685 0.656711 BFGS: 691 16:00:48 10.149105 0.652412 BFGS: 692 16:00:48 10.053096 0.648125 BFGS: 693 16:00:48 9.957654 0.643851 BFGS: 694 16:00:48 9.862780 0.639590 BFGS: 695 16:00:48 9.768470 0.635341 BFGS: 696 16:00:48 9.674723 0.631105 BFGS: 697 16:00:48 9.581538 0.626881 BFGS: 698 16:00:48 9.488911 0.622670 BFGS: 699 16:00:48 9.396843 0.618470 BFGS: 700 16:00:48 9.305331 0.614284 BFGS: 701 16:00:48 9.214373 0.610109 BFGS: 702 16:00:48 9.123967 0.605947 BFGS: 703 16:00:48 9.034112 0.601796 BFGS: 704 16:00:48 8.944806 0.598658 BFGS: 705 16:00:48 8.856047 0.595716 BFGS: 706 16:00:48 8.767833 0.592784 BFGS: 707 16:00:48 8.680163 0.589860 BFGS: 708 16:00:48 8.593035 0.586945 BFGS: 709 16:00:48 8.506448 0.584038 BFGS: 710 16:00:48 8.420398 0.581141 BFGS: 711 16:00:48 8.334886 0.578252 BFGS: 712 16:00:48 8.249908 0.575371 BFGS: 713 16:00:48 8.165464 0.572500 BFGS: 714 16:00:48 8.081552 0.569637 BFGS: 715 16:00:48 7.998169 0.566782 BFGS: 716 16:00:48 7.915314 0.563937 BFGS: 717 16:00:48 7.832987 0.561099 BFGS: 718 16:00:48 7.751183 0.558270 BFGS: 719 16:00:48 7.669904 0.555450 BFGS: 720 16:00:48 7.589145 0.552638 BFGS: 721 16:00:48 7.508906 0.549834 BFGS: 722 16:00:48 7.429186 0.547039 BFGS: 723 16:00:48 7.349982 0.544252 BFGS: 724 16:00:48 7.271293 0.541474 BFGS: 725 16:00:48 7.193118 0.538703 BFGS: 726 16:00:48 7.115454 0.535941 BFGS: 727 16:00:48 7.038300 0.533187 BFGS: 728 16:00:48 6.961654 0.530441 BFGS: 729 16:00:48 6.885515 0.527703 BFGS: 730 16:00:48 6.809882 0.524973 BFGS: 731 16:00:48 6.734752 0.522251 BFGS: 732 16:00:48 6.660125 0.519537 BFGS: 733 16:00:48 6.585998 0.516831 BFGS: 734 16:00:48 6.512370 0.514133 BFGS: 735 16:00:48 6.439240 0.511442 BFGS: 736 16:00:48 6.366606 0.508760 BFGS: 737 16:00:48 6.294466 0.506085 BFGS: 738 16:00:48 6.222819 0.503417 BFGS: 739 16:00:48 6.151664 0.500758 BFGS: 740 16:00:48 6.080999 0.498106 BFGS: 741 16:00:48 6.010822 0.495461 BFGS: 742 16:00:48 5.941133 0.492824 BFGS: 743 16:00:48 5.871929 0.490194 BFGS: 744 16:00:48 5.803210 0.487572 BFGS: 745 16:00:48 5.734974 0.484957 BFGS: 746 16:00:48 5.667222 0.482349 BFGS: 747 16:00:48 5.599977 0.479750 BFGS: 748 16:00:48 5.533236 0.477159 BFGS: 749 16:00:48 5.466997 0.474576 BFGS: 750 16:00:48 5.401258 0.472001 BFGS: 751 16:00:48 5.336019 0.469434 BFGS: 752 16:00:48 5.271276 0.466875 BFGS: 753 16:00:48 5.207028 0.464324 BFGS: 754 16:00:48 5.143274 0.461780 BFGS: 755 16:00:48 5.080011 0.459245 BFGS: 756 16:00:48 5.017239 0.456717 BFGS: 757 16:00:48 4.954954 0.454197 BFGS: 758 16:00:48 4.893156 0.451684 BFGS: 759 16:00:48 4.831842 0.449179 BFGS: 760 16:00:48 4.771012 0.446682 BFGS: 761 16:00:48 4.710663 0.444192 BFGS: 762 16:00:48 4.650794 0.441709 BFGS: 763 16:00:48 4.591403 0.439234 BFGS: 764 16:00:48 4.532488 0.436766 BFGS: 765 16:00:48 4.474048 0.434305 BFGS: 766 16:00:48 4.416082 0.431851 BFGS: 767 16:00:48 4.358587 0.429405 BFGS: 768 16:00:48 4.301562 0.426965 BFGS: 769 16:00:48 4.245006 0.424533 BFGS: 770 16:00:48 4.188917 0.422107 BFGS: 771 16:00:48 4.133293 0.419689 BFGS: 772 16:00:48 4.078133 0.417277 BFGS: 773 16:00:48 4.023435 0.414872 BFGS: 774 16:00:48 3.969199 0.412474 BFGS: 775 16:00:48 3.915422 0.410082 BFGS: 776 16:00:48 3.862102 0.407697 BFGS: 777 16:00:48 3.809240 0.405319 BFGS: 778 16:00:48 3.756832 0.402947 BFGS: 779 16:00:48 3.704878 0.400582 BFGS: 780 16:00:48 3.653376 0.398223 BFGS: 781 16:00:48 3.602324 0.395871 BFGS: 782 16:00:48 3.551722 0.393525 BFGS: 783 16:00:48 3.501568 0.391185 BFGS: 784 16:00:48 3.451860 0.388851 BFGS: 785 16:00:48 3.402597 0.386524 BFGS: 786 16:00:49 3.353778 0.384203 BFGS: 787 16:00:49 3.305401 0.381888 BFGS: 788 16:00:49 3.257465 0.379579 BFGS: 789 16:00:49 3.209969 0.377276 BFGS: 790 16:00:49 3.162911 0.374980 BFGS: 791 16:00:49 3.116289 0.372689 BFGS: 792 16:00:49 3.070104 0.370404 BFGS: 793 16:00:49 3.024352 0.368125 BFGS: 794 16:00:49 2.979033 0.365852 BFGS: 795 16:00:49 2.934146 0.363584 BFGS: 796 16:00:49 2.889689 0.361323 BFGS: 797 16:00:49 2.845661 0.359067 BFGS: 798 16:00:49 2.802061 0.356817 BFGS: 799 16:00:49 2.758887 0.354572 BFGS: 800 16:00:49 2.716138 0.352333 BFGS: 801 16:00:49 2.673813 0.350100 BFGS: 802 16:00:49 2.631910 0.347872 BFGS: 803 16:00:49 2.590429 0.345650 BFGS: 804 16:00:49 2.549367 0.343433 BFGS: 805 16:00:49 2.508724 0.341222 BFGS: 806 16:00:49 2.468498 0.339016 BFGS: 807 16:00:49 2.428689 0.336816 BFGS: 808 16:00:49 2.389294 0.334621 BFGS: 809 16:00:49 2.350313 0.332431 BFGS: 810 16:00:49 2.311744 0.330247 BFGS: 811 16:00:49 2.273586 0.328068 BFGS: 812 16:00:49 2.235837 0.325894 BFGS: 813 16:00:49 2.198498 0.323726 BFGS: 814 16:00:49 2.161565 0.321563 BFGS: 815 16:00:49 2.125039 0.319405 BFGS: 816 16:00:49 2.088917 0.317252 BFGS: 817 16:00:49 2.053198 0.315104 BFGS: 818 16:00:49 2.017882 0.312961 BFGS: 819 16:00:49 1.982967 0.310824 BFGS: 820 16:00:49 1.948452 0.308691 BFGS: 821 16:00:49 1.914335 0.306564 BFGS: 822 16:00:49 1.880615 0.304442 BFGS: 823 16:00:49 1.847291 0.302325 BFGS: 824 16:00:49 1.814361 0.300212 BFGS: 825 16:00:49 1.781825 0.298105 BFGS: 826 16:00:49 1.749682 0.296003 BFGS: 827 16:00:49 1.717929 0.293906 BFGS: 828 16:00:49 1.686565 0.291813 BFGS: 829 16:00:49 1.655590 0.289726 BFGS: 830 16:00:49 1.625002 0.287644 BFGS: 831 16:00:49 1.594800 0.285566 BFGS: 832 16:00:49 1.564982 0.283493 BFGS: 833 16:00:49 1.535547 0.281426 BFGS: 834 16:00:49 1.506495 0.279363 BFGS: 835 16:00:49 1.477822 0.277305 BFGS: 836 16:00:49 1.449530 0.275251 BFGS: 837 16:00:49 1.421615 0.273203 BFGS: 838 16:00:49 1.394077 0.271159 BFGS: 839 16:00:49 1.366914 0.269121 BFGS: 840 16:00:49 1.340126 0.267087 BFGS: 841 16:00:49 1.313710 0.265058 BFGS: 842 16:00:49 1.287666 0.263033 BFGS: 843 16:00:49 1.261992 0.261013 BFGS: 844 16:00:49 1.236687 0.258999 BFGS: 845 16:00:49 1.211750 0.256989 BFGS: 846 16:00:49 1.187178 0.254983 BFGS: 847 16:00:49 1.162972 0.252983 BFGS: 848 16:00:49 1.139129 0.250987 BFGS: 849 16:00:49 1.115648 0.248995 BFGS: 850 16:00:49 1.092528 0.247009 BFGS: 851 16:00:49 1.069768 0.245027 BFGS: 852 16:00:49 1.047366 0.243050 BFGS: 853 16:00:49 1.025321 0.241078 BFGS: 854 16:00:49 1.003631 0.239110 BFGS: 855 16:00:49 0.982295 0.237147 BFGS: 856 16:00:49 0.961311 0.235189 BFGS: 857 16:00:49 0.940679 0.233235 BFGS: 858 16:00:49 0.920397 0.231286 BFGS: 859 16:00:49 0.900463 0.229342 BFGS: 860 16:00:49 0.880877 0.227402 BFGS: 861 16:00:49 0.861636 0.225467 BFGS: 862 16:00:49 0.842739 0.223536 BFGS: 863 16:00:49 0.824185 0.221611 BFGS: 864 16:00:49 0.805973 0.219689 BFGS: 865 16:00:49 0.788100 0.217773 BFGS: 866 16:00:49 0.770566 0.215861 BFGS: 867 16:00:49 0.753370 0.213954 BFGS: 868 16:00:49 0.736508 0.212051 BFGS: 869 16:00:49 0.719982 0.210153 BFGS: 870 16:00:49 0.703787 0.208259 BFGS: 871 16:00:49 0.687924 0.206370 BFGS: 872 16:00:49 0.672391 0.204486 BFGS: 873 16:00:49 0.657186 0.202606 BFGS: 874 16:00:49 0.642308 0.200731 BFGS: 875 16:00:49 0.627755 0.198860 BFGS: 876 16:00:49 0.613526 0.196994 BFGS: 877 16:00:49 0.599619 0.195133 BFGS: 878 16:00:49 0.586033 0.193276 BFGS: 879 16:00:49 0.572765 0.191423 BFGS: 880 16:00:49 0.559816 0.189575 BFGS: 881 16:00:49 0.547182 0.187732 BFGS: 882 16:00:49 0.534863 0.185893 BFGS: 883 16:00:49 0.522857 0.184059 BFGS: 884 16:00:49 0.511161 0.182229 BFGS: 885 16:00:49 0.499776 0.180404 BFGS: 886 16:00:49 0.488698 0.178583 BFGS: 887 16:00:49 0.477927 0.176767 BFGS: 888 16:00:49 0.467460 0.174955 BFGS: 889 16:00:49 0.457296 0.173148 BFGS: 890 16:00:49 0.447433 0.171345 BFGS: 891 16:00:49 0.437870 0.169547 BFGS: 892 16:00:49 0.428605 0.167753 BFGS: 893 16:00:49 0.419632 0.165963 BFGS: 894 16:00:49 0.410933 0.164178 BFGS: 895 16:00:49 0.402502 0.162398 BFGS: 896 16:00:49 0.394265 0.160621 BFGS: 897 16:00:49 0.386187 0.158849 BFGS: 898 16:00:49 0.378261 0.157081 BFGS: 899 16:00:49 0.370442 0.155318 BFGS: 900 16:00:49 0.362711 0.153558 BFGS: 901 16:00:49 0.355067 0.151803 BFGS: 902 16:00:49 0.347510 0.150051 BFGS: 903 16:00:49 0.340040 0.148304 BFGS: 904 16:00:49 0.332657 0.146562 BFGS: 905 16:00:49 0.325361 0.144823 BFGS: 906 16:00:49 0.318151 0.143089 BFGS: 907 16:00:49 0.311027 0.141358 BFGS: 908 16:00:49 0.303989 0.139632 BFGS: 909 16:00:49 0.297036 0.137910 BFGS: 910 16:00:49 0.290169 0.136192 BFGS: 911 16:00:49 0.283388 0.134478 BFGS: 912 16:00:49 0.276692 0.132768 BFGS: 913 16:00:49 0.270080 0.131063 BFGS: 914 16:00:49 0.263554 0.129361 BFGS: 915 16:00:49 0.257112 0.127663 BFGS: 916 16:00:49 0.250754 0.125970 BFGS: 917 16:00:49 0.244481 0.124280 BFGS: 918 16:00:49 0.238291 0.122594 BFGS: 919 16:00:49 0.232185 0.120913 BFGS: 920 16:00:49 0.226163 0.119235 BFGS: 921 16:00:49 0.220225 0.117561 BFGS: 922 16:00:49 0.214369 0.115891 BFGS: 923 16:00:49 0.208597 0.114225 BFGS: 924 16:00:49 0.202907 0.112563 BFGS: 925 16:00:49 0.197301 0.110905 BFGS: 926 16:00:49 0.191776 0.109250 BFGS: 927 16:00:49 0.186334 0.107600 BFGS: 928 16:00:49 0.180975 0.105953 BFGS: 929 16:00:49 0.175697 0.104310 BFGS: 930 16:00:49 0.170501 0.102671 BFGS: 931 16:00:49 0.165386 0.101036 BFGS: 932 16:00:49 0.160353 0.099405 BFGS: 933 16:00:49 0.155401 0.097777 BFGS: 934 16:00:49 0.150530 0.096153 BFGS: 935 16:00:50 0.145741 0.094533 BFGS: 936 16:00:50 0.141031 0.092917 BFGS: 937 16:00:50 0.136403 0.091304 BFGS: 938 16:00:50 0.131855 0.089695 BFGS: 939 16:00:50 0.127387 0.088090 BFGS: 940 16:00:50 0.122999 0.086489 BFGS: 941 16:00:50 0.118690 0.084891 BFGS: 942 16:00:50 0.114462 0.083297 BFGS: 943 16:00:50 0.110313 0.081706 BFGS: 944 16:00:50 0.106244 0.080120 BFGS: 945 16:00:50 0.102253 0.078536 BFGS: 946 16:00:50 0.098342 0.076957 BFGS: 947 16:00:50 0.094510 0.075381 BFGS: 948 16:00:50 0.090756 0.073808 BFGS: 949 16:00:50 0.087081 0.072240 BFGS: 950 16:00:50 0.083484 0.070674 BFGS: 951 16:00:50 0.079965 0.069113 BFGS: 952 16:00:50 0.076525 0.067555 BFGS: 953 16:00:50 0.073162 0.066000 BFGS: 954 16:00:50 0.069877 0.064449 BFGS: 955 16:00:50 0.066670 0.062901 BFGS: 956 16:00:50 0.063540 0.061357 BFGS: 957 16:00:50 0.060488 0.059817 BFGS: 958 16:00:50 0.057512 0.058280 BFGS: 959 16:00:50 0.054614 0.056746 BFGS: 960 16:00:50 0.051792 0.055216 BFGS: 961 16:00:50 0.049047 0.053690 BFGS: 962 16:00:50 0.046378 0.052166 BFGS: 963 16:00:50 0.043786 0.050647 BFGS: 964 16:00:50 0.041270 0.049130 BFGS: 965 16:00:50 0.038830 0.047617 BFGS: 966 16:00:50 0.036466 0.046108 BFGS: 967 16:00:50 0.034177 0.044602 BFGS: 968 16:00:50 0.031965 0.043099 BFGS: 969 16:00:50 0.029827 0.041600 BFGS: 970 16:00:50 0.027765 0.040104 BFGS: 971 16:00:50 0.025778 0.038611 BFGS: 972 16:00:50 0.023866 0.037122 BFGS: 973 16:00:50 0.022029 0.035636 BFGS: 974 16:00:50 0.020267 0.034153 BFGS: 975 16:00:50 0.018579 0.032674 BFGS: 976 16:00:50 0.016965 0.031198 BFGS: 977 16:00:50 0.015426 0.029725 BFGS: 978 16:00:50 0.013961 0.028255 BFGS: 979 16:00:50 0.012570 0.026789 BFGS: 980 16:00:50 0.011253 0.025326 BFGS: 981 16:00:50 0.010009 0.023866 BFGS: 982 16:00:50 0.008839 0.022410 BFGS: 983 16:00:50 0.007743 0.020957 BFGS: 984 16:00:50 0.006719 0.019507 BFGS: 985 16:00:50 0.005769 0.018060 BFGS: 986 16:00:50 0.004892 0.016617 BFGS: 987 16:00:50 0.004088 0.015176 BFGS: 988 16:00:50 0.003356 0.013739 BFGS: 989 16:00:50 0.002697 0.012305 BFGS: 990 16:00:50 0.002110 0.010875 BFGS: 991 16:00:50 0.001596 0.009447 BFGS: 992 16:00:50 0.001153 0.008023 BFGS: 993 16:00:50 0.000783 0.006601 BFGS: 994 16:00:50 0.000485 0.005183 BFGS: 995 16:00:50 0.000258 0.003768 BFGS: 996 16:00:50 0.000103 0.002357 BFGS: 997 16:00:50 0.000020 0.000948 BFGS: 998 16:00:50 0.000002 0.000222 BFGS: 999 16:00:50 0.000000 0.000079 BFGS: 1000 16:00:50 0.000000 0.000000 BFGS: 1001 16:00:50 -0.000000 0.000000 Minimization converged after 1001 steps. Maximum force component: 1.1857166663338988e-13 eV/Angstrom Maximum stress component: 1.262371194538734e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[2.28635775e-35 2.55235042e-01 6.80578480e-31] [0.00000000e+00 7.44764958e-01 2.05159890e-30] [1.79705803e-35 7.55235042e-01 5.00000000e-01] [0.00000000e+00 2.44764958e-01 5.00000000e-01] [5.00000000e-01 2.55235042e-01 5.00000000e-01] [5.00000000e-01 7.44764958e-01 5.00000000e-01] [5.00000000e-01 7.55235042e-01 1.53869917e-30] [5.00000000e-01 2.44764958e-01 1.06525327e-30] [2.44576735e-01 1.00000000e+00 1.52667329e-36] [7.55423265e-01 1.00000000e+00 0.00000000e+00] [2.44576735e-01 5.00000000e-01 5.00000000e-01] [7.55423265e-01 5.00000000e-01 5.00000000e-01] [7.44576735e-01 1.00000000e+00 5.00000000e-01] [2.55423265e-01 1.00000000e+00 5.00000000e-01] [7.44576735e-01 5.00000000e-01 1.57815300e-31] [2.55423265e-01 5.00000000e-01 1.57815300e-31]] cellpar = Cell([[21.550285068676235, -1.1185789508246495e-50, -3.594052157891909e-36], [-1.7234954809998316e-50, 37.282779563200606, -5.818844608584371e-15], [1.360701508689772e-35, -2.9784889400439745e-15, 19.994535543088595]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-1.18571667e-13 -5.73636104e-49 3.85080747e-33] [ 1.18571667e-13 5.73636104e-49 -3.85080747e-33] [-1.18571667e-13 -5.73636104e-49 3.85080747e-33] [ 1.18571667e-13 5.73636104e-49 -3.85080747e-33] [-1.18571667e-13 -5.73636104e-49 3.85080747e-33] [ 1.18571667e-13 5.73636104e-49 -3.85080747e-33] [-1.18571667e-13 -5.73636104e-49 3.85080747e-33] [ 1.18571667e-13 5.73636104e-49 -3.85080747e-33]] stress = [-6.90100105e-18 -1.72994778e-45 -1.26237119e-14 -1.19804675e-30 -7.39059386e-51 -7.04590597e-67] energy per atom = -7.771561172376096e-16 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0