element(s): ['C'] AFLOW prototype label: A_oC8_65_gh Parameter names: ['a', 'b/a', 'c/a', 'x1', 'x2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C'] representative atom coordinates = [[0.5860263 0. 0. ] [0.68934767 0. 0.5 ]] spacegroup = 65 cell = [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]] ========================================= Step Time Energy fmax BFGS: 0 16:54:34 1002.350631 268.621750 BFGS: 1 16:54:35 960.255995 233.114757 BFGS: 2 16:54:35 933.156338 227.206861 BFGS: 3 16:54:35 911.926951 220.358941 BFGS: 4 16:54:35 885.872593 211.970415 BFGS: 5 16:54:35 863.359205 204.724285 BFGS: 6 16:54:35 843.808030 198.570177 BFGS: 7 16:54:35 826.564244 193.263820 BFGS: 8 16:54:35 811.195136 188.630790 BFGS: 9 16:54:35 797.497883 184.603801 BFGS: 10 16:54:35 785.296777 181.104216 BFGS: 11 16:54:35 774.416596 178.063326 BFGS: 12 16:54:35 764.699417 175.421509 BFGS: 13 16:54:35 755.987786 173.110368 BFGS: 14 16:54:35 748.134649 171.063738 BFGS: 15 16:54:35 740.960704 169.210061 BFGS: 16 16:54:35 734.300622 167.490450 BFGS: 17 16:54:35 727.997739 165.843876 BFGS: 18 16:54:35 721.934708 164.229288 BFGS: 19 16:54:35 716.040868 162.629898 BFGS: 20 16:54:35 710.285463 161.031807 BFGS: 21 16:54:35 704.652260 159.429585 BFGS: 22 16:54:35 699.133920 157.822631 BFGS: 23 16:54:35 693.725514 156.216013 BFGS: 24 16:54:35 688.420678 154.608240 BFGS: 25 16:54:35 683.211972 153.000013 BFGS: 26 16:54:35 678.090273 151.392245 BFGS: 27 16:54:35 673.045573 149.786286 BFGS: 28 16:54:35 668.066846 148.182885 BFGS: 29 16:54:35 663.137359 146.578433 BFGS: 30 16:54:35 658.242639 144.973186 BFGS: 31 16:54:35 653.369328 143.378934 BFGS: 32 16:54:35 648.502936 141.780495 BFGS: 33 16:54:35 643.634226 140.173129 BFGS: 34 16:54:35 638.756023 138.554351 BFGS: 35 16:54:35 633.863921 136.923166 BFGS: 36 16:54:35 628.953648 135.280306 BFGS: 37 16:54:35 624.020269 133.643335 BFGS: 38 16:54:35 619.054639 131.988343 BFGS: 39 16:54:35 614.056318 130.317175 BFGS: 40 16:54:36 609.024120 128.633324 BFGS: 41 16:54:36 603.958067 126.941919 BFGS: 42 16:54:36 598.860867 125.243574 BFGS: 43 16:54:36 593.730622 123.539145 BFGS: 44 16:54:36 588.570561 121.831580 BFGS: 45 16:54:36 583.381272 120.121908 BFGS: 46 16:54:36 578.164977 118.411932 BFGS: 47 16:54:36 572.924228 116.703179 BFGS: 48 16:54:36 567.663579 114.997894 BFGS: 49 16:54:36 562.393668 113.302156 BFGS: 50 16:54:36 557.127129 111.624920 BFGS: 51 16:54:36 551.875123 109.966716 BFGS: 52 16:54:36 546.650156 108.332450 BFGS: 53 16:54:36 541.466112 106.728810 BFGS: 54 16:54:36 536.347011 105.161733 BFGS: 55 16:54:36 531.308396 103.640739 BFGS: 56 16:54:36 526.368786 102.173383 BFGS: 57 16:54:36 521.544791 100.754907 BFGS: 58 16:54:36 516.849899 99.387984 BFGS: 59 16:54:36 512.295419 98.074968 BFGS: 60 16:54:36 507.889512 96.817710 BFGS: 61 16:54:36 503.640944 95.619711 BFGS: 62 16:54:36 499.550715 94.482846 BFGS: 63 16:54:36 495.616855 93.408916 BFGS: 64 16:54:36 491.834695 92.390602 BFGS: 65 16:54:36 488.198525 91.425879 BFGS: 66 16:54:36 484.701271 90.512271 BFGS: 67 16:54:36 481.335003 89.646987 BFGS: 68 16:54:36 478.091366 88.827040 BFGS: 69 16:54:36 474.961925 88.049356 BFGS: 70 16:54:36 471.938418 87.310865 BFGS: 71 16:54:36 469.012898 86.608716 BFGS: 72 16:54:36 466.178842 85.940737 BFGS: 73 16:54:36 463.429057 85.527045 BFGS: 74 16:54:36 460.756958 85.234559 BFGS: 75 16:54:36 458.156428 84.940402 BFGS: 76 16:54:36 455.622257 84.644612 BFGS: 77 16:54:36 453.149599 84.347276 BFGS: 78 16:54:36 450.733933 84.051629 BFGS: 79 16:54:36 448.371909 83.756393 BFGS: 80 16:54:36 446.060260 83.459947 BFGS: 81 16:54:36 443.795587 83.162949 BFGS: 82 16:54:36 441.574587 82.865287 BFGS: 83 16:54:36 439.394569 82.567120 BFGS: 84 16:54:36 437.253171 82.268653 BFGS: 85 16:54:36 435.148279 81.970080 BFGS: 86 16:54:36 433.078003 81.671588 BFGS: 87 16:54:36 431.040648 81.373355 BFGS: 88 16:54:37 429.034697 81.075545 BFGS: 89 16:54:37 427.058787 80.778316 BFGS: 90 16:54:37 425.111698 80.481813 BFGS: 91 16:54:37 423.192331 80.186171 BFGS: 92 16:54:37 421.299700 79.891518 BFGS: 93 16:54:37 419.432920 79.597972 BFGS: 94 16:54:37 417.591195 79.305640 BFGS: 95 16:54:37 415.773810 79.014626 BFGS: 96 16:54:37 413.980122 78.725022 BFGS: 97 16:54:37 412.209555 78.436917 BFGS: 98 16:54:37 410.461593 78.150390 BFGS: 99 16:54:37 408.735495 77.871441 BFGS: 100 16:54:37 407.031937 77.594236 BFGS: 101 16:54:37 405.350348 77.319471 BFGS: 102 16:54:37 403.690420 77.046545 BFGS: 103 16:54:37 402.051742 76.780778 BFGS: 104 16:54:37 400.434074 76.520267 BFGS: 105 16:54:37 398.837182 76.261470 BFGS: 106 16:54:37 397.260642 76.006813 BFGS: 107 16:54:37 395.703894 75.757955 BFGS: 108 16:54:37 394.166658 75.514932 BFGS: 109 16:54:37 392.648619 75.273856 BFGS: 110 16:54:38 391.149616 75.034776 BFGS: 111 16:54:38 389.669515 74.797735 BFGS: 112 16:54:38 388.208247 74.562772 BFGS: 113 16:54:38 386.765751 74.330426 BFGS: 114 16:54:38 385.341637 74.102030 BFGS: 115 16:54:38 383.936448 73.875916 BFGS: 116 16:54:38 382.550352 73.651850 BFGS: 117 16:54:38 381.183175 73.429897 BFGS: 118 16:54:38 379.834721 73.210116 BFGS: 119 16:54:38 378.505009 72.992537 BFGS: 120 16:54:38 377.193968 72.777208 BFGS: 121 16:54:38 375.901533 72.564170 BFGS: 122 16:54:38 374.627661 72.353460 BFGS: 123 16:54:38 373.372332 72.145110 BFGS: 124 16:54:38 372.135543 71.939148 BFGS: 125 16:54:38 370.917303 71.735596 BFGS: 126 16:54:38 369.717597 71.534475 BFGS: 127 16:54:38 368.536362 71.335785 BFGS: 128 16:54:38 367.373568 71.140572 BFGS: 129 16:54:38 366.228989 70.949095 BFGS: 130 16:54:38 365.103296 70.760046 BFGS: 131 16:54:38 363.996418 70.573464 BFGS: 132 16:54:38 362.908294 70.389383 BFGS: 133 16:54:38 361.838867 70.209366 BFGS: 134 16:54:38 360.788102 70.034232 BFGS: 135 16:54:38 359.755992 69.861890 BFGS: 136 16:54:38 358.742470 69.692087 BFGS: 137 16:54:38 357.747443 69.524849 BFGS: 138 16:54:38 356.770811 69.360195 BFGS: 139 16:54:38 355.812452 69.198145 BFGS: 140 16:54:38 354.872227 69.038719 BFGS: 141 16:54:38 353.949972 68.881936 BFGS: 142 16:54:38 353.045496 68.727813 BFGS: 143 16:54:38 352.158576 68.576371 BFGS: 144 16:54:38 351.288954 68.427632 BFGS: 145 16:54:38 350.436336 68.281616 BFGS: 146 16:54:39 349.600392 68.138351 BFGS: 147 16:54:39 348.780746 67.997862 BFGS: 148 16:54:39 347.976983 67.860180 BFGS: 149 16:54:39 347.188645 67.725338 BFGS: 150 16:54:39 346.415232 67.695857 BFGS: 151 16:54:39 345.656199 67.735899 BFGS: 152 16:54:39 344.910965 67.780731 BFGS: 153 16:54:39 344.178909 67.829914 BFGS: 154 16:54:39 343.459374 67.882974 BFGS: 155 16:54:39 342.751637 67.941939 BFGS: 156 16:54:39 342.054854 68.006032 BFGS: 157 16:54:39 341.368332 68.072456 BFGS: 158 16:54:39 340.691330 68.140632 BFGS: 159 16:54:39 340.023098 68.210004 BFGS: 160 16:54:39 339.362896 68.281735 BFGS: 161 16:54:39 338.709942 68.353321 BFGS: 162 16:54:39 338.063493 68.424163 BFGS: 163 16:54:39 337.422822 68.493668 BFGS: 164 16:54:39 336.787219 68.561253 BFGS: 165 16:54:39 336.155963 68.627015 BFGS: 166 16:54:39 335.528441 68.690472 BFGS: 167 16:54:39 334.904126 68.750797 BFGS: 168 16:54:39 334.282409 68.807460 BFGS: 169 16:54:39 333.662724 68.859975 BFGS: 170 16:54:39 333.044545 68.907893 BFGS: 171 16:54:39 332.427391 68.950810 BFGS: 172 16:54:39 331.810821 68.988362 BFGS: 173 16:54:39 331.194439 69.020228 BFGS: 174 16:54:39 330.577884 69.046126 BFGS: 175 16:54:39 329.960841 69.065816 BFGS: 176 16:54:39 329.343028 69.079095 BFGS: 177 16:54:39 328.724200 69.085796 BFGS: 178 16:54:39 328.104148 69.085787 BFGS: 179 16:54:39 327.482693 69.078971 BFGS: 180 16:54:39 326.859687 69.065280 BFGS: 181 16:54:40 326.235010 69.044675 BFGS: 182 16:54:40 325.608567 69.017144 BFGS: 183 16:54:40 324.980288 68.982699 BFGS: 184 16:54:40 324.350122 68.941375 BFGS: 185 16:54:40 323.718041 68.893228 BFGS: 186 16:54:40 323.084032 68.838329 BFGS: 187 16:54:40 322.448086 68.776769 BFGS: 188 16:54:40 321.810243 68.708856 BFGS: 189 16:54:40 321.170794 68.635075 BFGS: 190 16:54:41 320.529760 68.555511 BFGS: 191 16:54:41 319.887173 68.470264 BFGS: 192 16:54:41 319.243075 68.379447 BFGS: 193 16:54:41 318.597516 68.283183 BFGS: 194 16:54:41 317.950553 68.181607 BFGS: 195 16:54:41 317.302250 68.074858 BFGS: 196 16:54:41 316.652674 67.963082 BFGS: 197 16:54:41 316.001896 67.846429 BFGS: 198 16:54:41 315.349989 67.725052 BFGS: 199 16:54:41 314.697030 67.599106 BFGS: 200 16:54:41 314.043095 67.468748 BFGS: 201 16:54:41 313.388252 67.335455 BFGS: 202 16:54:41 312.732428 67.202855 BFGS: 203 16:54:41 312.075919 67.066483 BFGS: 204 16:54:41 311.418803 66.926504 BFGS: 205 16:54:41 310.761158 66.783081 BFGS: 206 16:54:41 310.103056 66.636367 BFGS: 207 16:54:41 309.444567 66.486510 BFGS: 208 16:54:41 308.785759 66.333652 BFGS: 209 16:54:41 308.126694 66.177930 BFGS: 210 16:54:41 307.467433 66.019474 BFGS: 211 16:54:41 306.808032 65.858411 BFGS: 212 16:54:41 306.148525 65.696682 BFGS: 213 16:54:41 305.488907 65.688182 BFGS: 214 16:54:41 304.829406 65.706639 BFGS: 215 16:54:41 304.170062 65.724456 BFGS: 216 16:54:41 303.510843 65.744438 BFGS: 217 16:54:41 302.852028 65.764545 BFGS: 218 16:54:41 302.193773 65.783636 BFGS: 219 16:54:41 301.536086 65.801669 BFGS: 220 16:54:41 300.878972 65.818605 BFGS: 221 16:54:41 300.222435 65.834402 BFGS: 222 16:54:41 299.566480 65.849024 BFGS: 223 16:54:42 298.911108 65.862432 BFGS: 224 16:54:42 298.256321 65.874643 BFGS: 225 16:54:42 297.602115 65.885737 BFGS: 226 16:54:42 296.948485 65.895521 BFGS: 227 16:54:42 296.295417 65.905154 BFGS: 228 16:54:42 295.642826 65.913734 BFGS: 229 16:54:42 294.990701 65.921269 BFGS: 230 16:54:42 294.338990 65.927777 BFGS: 231 16:54:42 293.687668 65.932981 BFGS: 232 16:54:42 293.036746 65.936836 BFGS: 233 16:54:42 292.386228 65.939299 BFGS: 234 16:54:42 291.736119 65.940403 BFGS: 235 16:54:42 291.086348 65.940977 BFGS: 236 16:54:42 290.437189 65.939972 BFGS: 237 16:54:42 289.788628 65.937373 BFGS: 238 16:54:42 289.140650 65.933166 BFGS: 239 16:54:42 288.493243 65.927336 BFGS: 240 16:54:42 287.846392 65.919869 BFGS: 241 16:54:42 287.200083 65.910751 BFGS: 242 16:54:42 286.554288 65.900388 BFGS: 243 16:54:42 285.909026 65.888864 BFGS: 244 16:54:42 285.264461 65.875551 BFGS: 245 16:54:42 284.620566 65.860457 BFGS: 246 16:54:42 283.977314 65.843588 BFGS: 247 16:54:42 283.334681 65.824947 BFGS: 248 16:54:42 282.692645 65.804537 BFGS: 249 16:54:42 282.051184 65.782359 BFGS: 250 16:54:42 281.410277 65.758413 BFGS: 251 16:54:42 280.769905 65.732701 BFGS: 252 16:54:42 280.130049 65.705223 BFGS: 253 16:54:42 279.490691 65.675978 BFGS: 254 16:54:42 278.851800 65.644967 BFGS: 255 16:54:42 278.213398 65.612183 BFGS: 256 16:54:42 277.575555 65.577624 BFGS: 257 16:54:42 276.938251 65.541295 BFGS: 258 16:54:42 276.301440 65.503984 BFGS: 259 16:54:42 275.665072 65.466458 BFGS: 260 16:54:42 275.029956 65.427106 BFGS: 261 16:54:42 274.396198 65.385856 BFGS: 262 16:54:42 273.763712 65.342746 BFGS: 263 16:54:42 273.132511 65.297792 BFGS: 264 16:54:42 272.502597 65.251028 BFGS: 265 16:54:43 271.873911 65.202491 BFGS: 266 16:54:43 271.246397 65.152221 BFGS: 267 16:54:43 270.620008 65.100249 BFGS: 268 16:54:43 269.994695 65.046608 BFGS: 269 16:54:43 269.370411 64.991327 BFGS: 270 16:54:43 268.747095 64.934467 BFGS: 271 16:54:43 268.124703 64.876073 BFGS: 272 16:54:43 267.503204 64.816163 BFGS: 273 16:54:43 266.882567 64.754757 BFGS: 274 16:54:43 266.262765 64.691873 BFGS: 275 16:54:43 265.643771 64.627530 BFGS: 276 16:54:43 265.025560 64.561746 BFGS: 277 16:54:43 264.408103 64.494539 BFGS: 278 16:54:43 263.791363 64.425920 BFGS: 279 16:54:43 263.175602 64.356176 BFGS: 280 16:54:43 262.560742 64.285203 BFGS: 281 16:54:43 261.946741 64.212906 BFGS: 282 16:54:43 261.333576 64.139313 BFGS: 283 16:54:43 260.721221 64.064446 BFGS: 284 16:54:43 260.109657 63.988327 BFGS: 285 16:54:43 259.498862 63.910976 BFGS: 286 16:54:43 258.888820 63.832415 BFGS: 287 16:54:43 258.279512 63.752661 BFGS: 288 16:54:43 257.670923 63.671732 BFGS: 289 16:54:43 257.063038 63.589645 BFGS: 290 16:54:44 256.455845 63.506417 BFGS: 291 16:54:44 255.849330 63.422064 BFGS: 292 16:54:44 255.243483 63.336600 BFGS: 293 16:54:44 254.638292 63.250042 BFGS: 294 16:54:44 254.033749 63.162404 BFGS: 295 16:54:44 253.429844 63.073698 BFGS: 296 16:54:44 252.826570 62.983941 BFGS: 297 16:54:44 252.223918 62.893143 BFGS: 298 16:54:44 251.621883 62.801320 BFGS: 299 16:54:44 251.020459 62.708482 BFGS: 300 16:54:44 250.419640 62.614644 BFGS: 301 16:54:44 249.819421 62.519817 BFGS: 302 16:54:44 249.219799 62.424012 BFGS: 303 16:54:44 248.620769 62.327243 BFGS: 304 16:54:44 248.022329 62.229519 BFGS: 305 16:54:44 247.424475 62.130853 BFGS: 306 16:54:45 246.827206 62.031255 BFGS: 307 16:54:45 246.230519 61.930736 BFGS: 308 16:54:45 245.634413 61.829307 BFGS: 309 16:54:45 245.038888 61.726978 BFGS: 310 16:54:45 244.443941 61.623759 BFGS: 311 16:54:45 243.849574 61.519662 BFGS: 312 16:54:45 243.255785 61.414694 BFGS: 313 16:54:45 242.662576 61.308868 BFGS: 314 16:54:45 242.069946 61.202191 BFGS: 315 16:54:45 241.477897 61.094673 BFGS: 316 16:54:45 240.886430 60.986325 BFGS: 317 16:54:45 240.295546 60.877155 BFGS: 318 16:54:45 239.705247 60.767172 BFGS: 319 16:54:45 239.115534 60.656385 BFGS: 320 16:54:45 238.526409 60.544803 BFGS: 321 16:54:45 237.937876 60.432435 BFGS: 322 16:54:45 237.349935 60.319289 BFGS: 323 16:54:45 236.762590 60.205375 BFGS: 324 16:54:45 236.175844 60.090700 BFGS: 325 16:54:45 235.589688 59.975275 BFGS: 326 16:54:45 235.004103 59.859129 BFGS: 327 16:54:45 234.419094 59.742272 BFGS: 328 16:54:45 233.834666 59.624709 BFGS: 329 16:54:45 233.250823 59.506449 BFGS: 330 16:54:45 232.667563 59.387604 BFGS: 331 16:54:45 232.084809 59.268324 BFGS: 332 16:54:45 231.502530 59.148631 BFGS: 333 16:54:45 230.920745 59.028489 BFGS: 334 16:54:45 230.339473 58.907871 BFGS: 335 16:54:45 229.758728 58.786757 BFGS: 336 16:54:45 229.178523 58.665133 BFGS: 337 16:54:45 228.598872 58.542988 BFGS: 338 16:54:45 228.019784 58.420315 BFGS: 339 16:54:45 227.441272 58.297109 BFGS: 340 16:54:45 226.863343 58.173368 BFGS: 341 16:54:45 226.286008 58.049090 BFGS: 342 16:54:45 225.709276 57.924277 BFGS: 343 16:54:45 225.133153 57.798929 BFGS: 344 16:54:45 224.557649 57.673050 BFGS: 345 16:54:45 223.982771 57.546641 BFGS: 346 16:54:45 223.408527 57.419706 BFGS: 347 16:54:45 222.834923 57.292249 BFGS: 348 16:54:45 222.261967 57.165086 BFGS: 349 16:54:45 221.689615 57.043101 BFGS: 350 16:54:46 221.117965 56.920585 BFGS: 351 16:54:46 220.547020 56.797550 BFGS: 352 16:54:46 219.976784 56.674008 BFGS: 353 16:54:46 219.407261 56.549967 BFGS: 354 16:54:46 218.838453 56.425437 BFGS: 355 16:54:46 218.270366 56.300426 BFGS: 356 16:54:46 217.703003 56.174942 BFGS: 357 16:54:46 217.136368 56.048992 BFGS: 358 16:54:46 216.570466 55.922585 BFGS: 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BFGS: 1868 16:55:01 5.765502 1.322213 BFGS: 1869 16:55:01 5.751533 1.319942 BFGS: 1870 16:55:01 5.737593 1.317675 BFGS: 1871 16:55:01 5.723679 1.315411 BFGS: 1872 16:55:01 5.709794 1.313149 BFGS: 1873 16:55:01 5.695936 1.310890 BFGS: 1874 16:55:01 5.682106 1.308634 BFGS: 1875 16:55:01 5.668303 1.306382 BFGS: 1876 16:55:01 5.654528 1.304132 BFGS: 1877 16:55:01 5.640781 1.301884 BFGS: 1878 16:55:01 5.627060 1.299640 BFGS: 1879 16:55:01 5.613368 1.297399 BFGS: 1880 16:55:01 5.599702 1.295160 BFGS: 1881 16:55:01 5.586064 1.292925 BFGS: 1882 16:55:01 5.572453 1.290692 BFGS: 1883 16:55:01 5.558869 1.288462 BFGS: 1884 16:55:01 5.545312 1.286235 BFGS: 1885 16:55:01 5.531783 1.284011 BFGS: 1886 16:55:01 5.518280 1.281790 BFGS: 1887 16:55:01 5.504805 1.279571 BFGS: 1888 16:55:01 5.491356 1.277356 BFGS: 1889 16:55:01 5.477935 1.275143 BFGS: 1890 16:55:01 5.464540 1.272933 BFGS: 1891 16:55:01 5.451172 1.270726 BFGS: 1892 16:55:01 5.437831 1.268522 BFGS: 1893 16:55:01 5.424517 1.266320 BFGS: 1894 16:55:01 5.411229 1.264121 BFGS: 1895 16:55:01 5.397969 1.261926 BFGS: 1896 16:55:01 5.384735 1.259733 BFGS: 1897 16:55:01 5.371527 1.257542 BFGS: 1898 16:55:01 5.358346 1.255355 BFGS: 1899 16:55:01 5.345191 1.253171 BFGS: 1900 16:55:01 5.332063 1.250989 BFGS: 1901 16:55:01 5.318962 1.248810 BFGS: 1902 16:55:01 5.305887 1.246633 BFGS: 1903 16:55:01 5.292838 1.244460 BFGS: 1904 16:55:01 5.279815 1.242289 BFGS: 1905 16:55:01 5.266819 1.240122 BFGS: 1906 16:55:01 5.253849 1.237956 BFGS: 1907 16:55:01 5.240905 1.235794 BFGS: 1908 16:55:01 5.227988 1.233635 BFGS: 1909 16:55:01 5.215096 1.231478 BFGS: 1910 16:55:01 5.202231 1.229324 BFGS: 1911 16:55:01 5.189391 1.227172 BFGS: 1912 16:55:01 5.176578 1.225024 BFGS: 1913 16:55:01 5.163790 1.222878 BFGS: 1914 16:55:01 5.151029 1.220735 BFGS: 1915 16:55:01 5.138293 1.218595 BFGS: 1916 16:55:01 5.125583 1.216457 BFGS: 1917 16:55:01 5.112899 1.214322 BFGS: 1918 16:55:01 5.100240 1.212190 BFGS: 1919 16:55:01 5.087608 1.210061 BFGS: 1920 16:55:02 5.075001 1.207934 BFGS: 1921 16:55:02 5.062419 1.205810 BFGS: 1922 16:55:02 5.049864 1.203689 BFGS: 1923 16:55:02 5.037334 1.201570 BFGS: 1924 16:55:02 5.024829 1.199454 BFGS: 1925 16:55:02 5.012350 1.197341 BFGS: 1926 16:55:02 4.999896 1.195231 BFGS: 1927 16:55:02 4.987468 1.193123 BFGS: 1928 16:55:02 4.975065 1.191018 BFGS: 1929 16:55:02 4.962687 1.188915 BFGS: 1930 16:55:02 4.950335 1.186816 BFGS: 1931 16:55:02 4.938008 1.184718 BFGS: 1932 16:55:02 4.925706 1.182624 BFGS: 1933 16:55:02 4.913429 1.180532 BFGS: 1934 16:55:02 4.901177 1.178443 BFGS: 1935 16:55:02 4.888951 1.176357 BFGS: 1936 16:55:02 4.876750 1.174273 BFGS: 1937 16:55:02 4.864573 1.172192 BFGS: 1938 16:55:02 4.852422 1.170114 BFGS: 1939 16:55:02 4.840295 1.168038 BFGS: 1940 16:55:02 4.828194 1.165965 BFGS: 1941 16:55:02 4.816117 1.163894 BFGS: 1942 16:55:02 4.804065 1.161826 BFGS: 1943 16:55:02 4.792038 1.159761 BFGS: 1944 16:55:02 4.780036 1.157698 BFGS: 1945 16:55:02 4.768059 1.155638 BFGS: 1946 16:55:02 4.756106 1.153581 BFGS: 1947 16:55:02 4.744178 1.151526 BFGS: 1948 16:55:02 4.732274 1.149474 BFGS: 1949 16:55:02 4.720395 1.147424 BFGS: 1950 16:55:02 4.708541 1.145377 BFGS: 1951 16:55:02 4.696711 1.143333 BFGS: 1952 16:55:02 4.684906 1.141291 BFGS: 1953 16:55:02 4.673125 1.139252 BFGS: 1954 16:55:02 4.661368 1.137215 BFGS: 1955 16:55:02 4.649636 1.135181 BFGS: 1956 16:55:02 4.637928 1.133150 BFGS: 1957 16:55:02 4.626245 1.131121 BFGS: 1958 16:55:02 4.614586 1.129094 BFGS: 1959 16:55:02 4.602951 1.127071 BFGS: 1960 16:55:02 4.591340 1.125049 BFGS: 1961 16:55:02 4.579753 1.123031 BFGS: 1962 16:55:02 4.568191 1.121015 BFGS: 1963 16:55:02 4.556652 1.119001 BFGS: 1964 16:55:02 4.545138 1.116990 BFGS: 1965 16:55:02 4.533647 1.114982 BFGS: 1966 16:55:02 4.522181 1.112976 BFGS: 1967 16:55:02 4.510739 1.110972 BFGS: 1968 16:55:02 4.499320 1.108971 BFGS: 1969 16:55:02 4.487925 1.106973 BFGS: 1970 16:55:02 4.476555 1.104977 BFGS: 1971 16:55:02 4.465208 1.102984 BFGS: 1972 16:55:02 4.453884 1.100993 BFGS: 1973 16:55:02 4.442585 1.099005 BFGS: 1974 16:55:02 4.431309 1.097019 BFGS: 1975 16:55:02 4.420057 1.095036 BFGS: 1976 16:55:02 4.408829 1.093055 BFGS: 1977 16:55:02 4.397624 1.091077 BFGS: 1978 16:55:02 4.386442 1.089101 BFGS: 1979 16:55:02 4.375285 1.087128 BFGS: 1980 16:55:02 4.364150 1.085157 BFGS: 1981 16:55:02 4.353040 1.083189 BFGS: 1982 16:55:02 4.341952 1.081223 BFGS: 1983 16:55:02 4.330888 1.079260 BFGS: 1984 16:55:02 4.319848 1.077299 BFGS: 1985 16:55:02 4.308831 1.075341 BFGS: 1986 16:55:02 4.297837 1.073385 BFGS: 1987 16:55:02 4.286866 1.071431 BFGS: 1988 16:55:02 4.275919 1.069480 BFGS: 1989 16:55:02 4.264995 1.067532 BFGS: 1990 16:55:02 4.254094 1.065586 BFGS: 1991 16:55:02 4.243216 1.063642 BFGS: 1992 16:55:02 4.232361 1.061734 BFGS: 1993 16:55:02 4.221527 1.060008 BFGS: 1994 16:55:02 4.210714 1.058284 BFGS: 1995 16:55:02 4.199921 1.056562 BFGS: 1996 16:55:02 4.189147 1.054843 BFGS: 1997 16:55:02 4.178394 1.053125 BFGS: 1998 16:55:02 4.167661 1.051410 BFGS: 1999 16:55:02 4.156948 1.049697 BFGS: 2000 16:55:02 4.146254 1.047986 BFGS: 2001 16:55:02 4.135581 1.046277 BFGS: 2002 16:55:02 4.124927 1.044570 BFGS: 2003 16:55:02 4.114294 1.042865 BFGS: 2004 16:55:02 4.103680 1.041163 BFGS: 2005 16:55:02 4.093086 1.039462 BFGS: 2006 16:55:02 4.082511 1.037764 BFGS: 2007 16:55:02 4.071957 1.036068 BFGS: 2008 16:55:02 4.061422 1.034374 BFGS: 2009 16:55:02 4.050907 1.032682 BFGS: 2010 16:55:02 4.040411 1.030992 BFGS: 2011 16:55:02 4.029935 1.029305 BFGS: 2012 16:55:02 4.019478 1.027619 BFGS: 2013 16:55:02 4.009041 1.025936 BFGS: 2014 16:55:02 3.998624 1.024255 BFGS: 2015 16:55:02 3.988226 1.022576 BFGS: 2016 16:55:02 3.977848 1.020898 BFGS: 2017 16:55:02 3.967488 1.019223 BFGS: 2018 16:55:02 3.957149 1.017551 BFGS: 2019 16:55:02 3.946828 1.015880 BFGS: 2020 16:55:02 3.936527 1.014211 BFGS: 2021 16:55:02 3.926246 1.012545 BFGS: 2022 16:55:02 3.915983 1.010880 BFGS: 2023 16:55:02 3.905740 1.009218 BFGS: 2024 16:55:02 3.895516 1.007557 BFGS: 2025 16:55:02 3.885311 1.005899 BFGS: 2026 16:55:02 3.875125 1.004243 BFGS: 2027 16:55:02 3.864959 1.002589 BFGS: 2028 16:55:02 3.854811 1.000937 BFGS: 2029 16:55:02 3.844683 0.999287 BFGS: 2030 16:55:02 3.834574 0.997639 BFGS: 2031 16:55:02 3.824483 0.995993 BFGS: 2032 16:55:02 3.814412 0.994349 BFGS: 2033 16:55:02 3.804360 0.992707 BFGS: 2034 16:55:02 3.794326 0.991067 BFGS: 2035 16:55:02 3.784311 0.989430 BFGS: 2036 16:55:02 3.774316 0.987794 BFGS: 2037 16:55:02 3.764339 0.986160 BFGS: 2038 16:55:02 3.754381 0.984529 BFGS: 2039 16:55:02 3.744441 0.982899 BFGS: 2040 16:55:02 3.734521 0.981272 BFGS: 2041 16:55:02 3.724619 0.979646 BFGS: 2042 16:55:02 3.714736 0.978023 BFGS: 2043 16:55:02 3.704872 0.976401 BFGS: 2044 16:55:02 3.695026 0.974782 BFGS: 2045 16:55:02 3.685199 0.973165 BFGS: 2046 16:55:02 3.675390 0.971549 BFGS: 2047 16:55:02 3.665600 0.969936 BFGS: 2048 16:55:02 3.655828 0.968324 BFGS: 2049 16:55:02 3.646076 0.966715 BFGS: 2050 16:55:02 3.636341 0.965108 BFGS: 2051 16:55:02 3.626625 0.963502 BFGS: 2052 16:55:02 3.616927 0.961899 BFGS: 2053 16:55:03 3.607248 0.960298 BFGS: 2054 16:55:03 3.597587 0.958698 BFGS: 2055 16:55:03 3.587945 0.957101 BFGS: 2056 16:55:03 3.578321 0.955505 BFGS: 2057 16:55:03 3.568715 0.953912 BFGS: 2058 16:55:03 3.559127 0.952321 BFGS: 2059 16:55:03 3.549558 0.950731 BFGS: 2060 16:55:03 3.540007 0.949144 BFGS: 2061 16:55:03 3.530474 0.947558 BFGS: 2062 16:55:03 3.520959 0.945974 BFGS: 2063 16:55:03 3.511463 0.944393 BFGS: 2064 16:55:03 3.501984 0.942813 BFGS: 2065 16:55:03 3.492524 0.941236 BFGS: 2066 16:55:03 3.483082 0.939660 BFGS: 2067 16:55:03 3.473658 0.938086 BFGS: 2068 16:55:03 3.464251 0.936514 BFGS: 2069 16:55:03 3.454863 0.934944 BFGS: 2070 16:55:03 3.445493 0.933376 BFGS: 2071 16:55:03 3.436140 0.931810 BFGS: 2072 16:55:03 3.426806 0.930246 BFGS: 2073 16:55:03 3.417489 0.928684 BFGS: 2074 16:55:03 3.408191 0.927124 BFGS: 2075 16:55:03 3.398910 0.925566 BFGS: 2076 16:55:03 3.389647 0.924009 BFGS: 2077 16:55:03 3.380402 0.922455 BFGS: 2078 16:55:03 3.371174 0.920903 BFGS: 2079 16:55:03 3.361965 0.919352 BFGS: 2080 16:55:03 3.352773 0.917803 BFGS: 2081 16:55:03 3.343598 0.916257 BFGS: 2082 16:55:03 3.334442 0.914712 BFGS: 2083 16:55:03 3.325303 0.913169 BFGS: 2084 16:55:03 3.316181 0.911628 BFGS: 2085 16:55:03 3.307077 0.910089 BFGS: 2086 16:55:03 3.297991 0.908551 BFGS: 2087 16:55:03 3.288923 0.907016 BFGS: 2088 16:55:03 3.279871 0.905483 BFGS: 2089 16:55:03 3.270838 0.903951 BFGS: 2090 16:55:03 3.261822 0.902421 BFGS: 2091 16:55:03 3.252823 0.900894 BFGS: 2092 16:55:03 3.243842 0.899368 BFGS: 2093 16:55:03 3.234878 0.897844 BFGS: 2094 16:55:03 3.225931 0.896322 BFGS: 2095 16:55:03 3.217002 0.894801 BFGS: 2096 16:55:03 3.208090 0.893283 BFGS: 2097 16:55:03 3.199196 0.891766 BFGS: 2098 16:55:03 3.190319 0.890252 BFGS: 2099 16:55:03 3.181459 0.888739 BFGS: 2100 16:55:03 3.172616 0.887228 BFGS: 2101 16:55:03 3.163790 0.885719 BFGS: 2102 16:55:03 3.154982 0.884212 BFGS: 2103 16:55:03 3.146191 0.882706 BFGS: 2104 16:55:03 3.137417 0.881203 BFGS: 2105 16:55:03 3.128660 0.879701 BFGS: 2106 16:55:03 3.119920 0.878201 BFGS: 2107 16:55:03 3.111198 0.876703 BFGS: 2108 16:55:03 3.102492 0.875207 BFGS: 2109 16:55:03 3.093803 0.873713 BFGS: 2110 16:55:03 3.085132 0.872220 BFGS: 2111 16:55:03 3.076477 0.870730 BFGS: 2112 16:55:03 3.067839 0.869241 BFGS: 2113 16:55:03 3.059219 0.867754 BFGS: 2114 16:55:03 3.050615 0.866269 BFGS: 2115 16:55:03 3.042028 0.864785 BFGS: 2116 16:55:03 3.033458 0.863304 BFGS: 2117 16:55:03 3.024905 0.861824 BFGS: 2118 16:55:03 3.016368 0.860346 BFGS: 2119 16:55:03 3.007849 0.858870 BFGS: 2120 16:55:03 2.999346 0.857396 BFGS: 2121 16:55:03 2.990860 0.855923 BFGS: 2122 16:55:03 2.982391 0.854452 BFGS: 2123 16:55:03 2.973938 0.852983 BFGS: 2124 16:55:03 2.965503 0.851516 BFGS: 2125 16:55:03 2.957083 0.850051 BFGS: 2126 16:55:03 2.948681 0.848587 BFGS: 2127 16:55:03 2.940295 0.847126 BFGS: 2128 16:55:03 2.931926 0.845666 BFGS: 2129 16:55:03 2.923573 0.844208 BFGS: 2130 16:55:03 2.915237 0.842751 BFGS: 2131 16:55:03 2.906917 0.841296 BFGS: 2132 16:55:03 2.898614 0.839844 BFGS: 2133 16:55:03 2.890327 0.838393 BFGS: 2134 16:55:03 2.882057 0.836943 BFGS: 2135 16:55:03 2.873804 0.835496 BFGS: 2136 16:55:03 2.865566 0.834050 BFGS: 2137 16:55:03 2.857346 0.832606 BFGS: 2138 16:55:03 2.849141 0.831164 BFGS: 2139 16:55:03 2.840953 0.829723 BFGS: 2140 16:55:03 2.832781 0.828284 BFGS: 2141 16:55:03 2.824626 0.826847 BFGS: 2142 16:55:03 2.816487 0.825412 BFGS: 2143 16:55:03 2.808364 0.823978 BFGS: 2144 16:55:03 2.800258 0.822547 BFGS: 2145 16:55:03 2.792167 0.821117 BFGS: 2146 16:55:03 2.784093 0.819688 BFGS: 2147 16:55:03 2.776035 0.818262 BFGS: 2148 16:55:03 2.767994 0.816837 BFGS: 2149 16:55:03 2.759968 0.815414 BFGS: 2150 16:55:03 2.751959 0.813992 BFGS: 2151 16:55:03 2.743965 0.812573 BFGS: 2152 16:55:03 2.735988 0.811155 BFGS: 2153 16:55:03 2.728027 0.809738 BFGS: 2154 16:55:03 2.720082 0.808324 BFGS: 2155 16:55:03 2.712153 0.806911 BFGS: 2156 16:55:03 2.704240 0.805500 BFGS: 2157 16:55:03 2.696343 0.804091 BFGS: 2158 16:55:03 2.688462 0.802683 BFGS: 2159 16:55:03 2.680597 0.801277 BFGS: 2160 16:55:03 2.672748 0.799873 BFGS: 2161 16:55:03 2.664914 0.798470 BFGS: 2162 16:55:03 2.657097 0.797069 BFGS: 2163 16:55:03 2.649295 0.795670 BFGS: 2164 16:55:03 2.641510 0.794273 BFGS: 2165 16:55:03 2.633740 0.792877 BFGS: 2166 16:55:03 2.625986 0.791483 BFGS: 2167 16:55:03 2.618248 0.790090 BFGS: 2168 16:55:03 2.610525 0.788699 BFGS: 2169 16:55:03 2.602818 0.787310 BFGS: 2170 16:55:03 2.595127 0.785923 BFGS: 2171 16:55:03 2.587452 0.784537 BFGS: 2172 16:55:03 2.579792 0.783153 BFGS: 2173 16:55:03 2.572148 0.781771 BFGS: 2174 16:55:03 2.564520 0.780390 BFGS: 2175 16:55:03 2.556907 0.779011 BFGS: 2176 16:55:03 2.549310 0.777634 BFGS: 2177 16:55:03 2.541729 0.776258 BFGS: 2178 16:55:03 2.534163 0.774884 BFGS: 2179 16:55:03 2.526613 0.773511 BFGS: 2180 16:55:03 2.519078 0.772141 BFGS: 2181 16:55:03 2.511558 0.770771 BFGS: 2182 16:55:03 2.504055 0.769404 BFGS: 2183 16:55:03 2.496566 0.768038 BFGS: 2184 16:55:03 2.489093 0.766674 BFGS: 2185 16:55:03 2.481636 0.765311 BFGS: 2186 16:55:03 2.474194 0.763950 BFGS: 2187 16:55:03 2.466767 0.762591 BFGS: 2188 16:55:03 2.459356 0.761233 BFGS: 2189 16:55:03 2.451960 0.759877 BFGS: 2190 16:55:03 2.444579 0.758523 BFGS: 2191 16:55:03 2.437214 0.757170 BFGS: 2192 16:55:04 2.429863 0.755819 BFGS: 2193 16:55:04 2.422529 0.754470 BFGS: 2194 16:55:04 2.415209 0.753122 BFGS: 2195 16:55:04 2.407905 0.751775 BFGS: 2196 16:55:04 2.400616 0.750431 BFGS: 2197 16:55:04 2.393342 0.749088 BFGS: 2198 16:55:04 2.386083 0.747746 BFGS: 2199 16:55:04 2.378840 0.746406 BFGS: 2200 16:55:04 2.371611 0.745068 BFGS: 2201 16:55:04 2.364398 0.743731 BFGS: 2202 16:55:04 2.357200 0.742396 BFGS: 2203 16:55:04 2.350017 0.741063 BFGS: 2204 16:55:04 2.342849 0.739731 BFGS: 2205 16:55:04 2.335696 0.738400 BFGS: 2206 16:55:04 2.328558 0.737072 BFGS: 2207 16:55:04 2.321435 0.735745 BFGS: 2208 16:55:04 2.314327 0.734419 BFGS: 2209 16:55:04 2.307234 0.733095 BFGS: 2210 16:55:04 2.300156 0.731773 BFGS: 2211 16:55:04 2.293093 0.730452 BFGS: 2212 16:55:04 2.286044 0.729133 BFGS: 2213 16:55:04 2.279011 0.727815 BFGS: 2214 16:55:04 2.271993 0.726499 BFGS: 2215 16:55:04 2.264989 0.725184 BFGS: 2216 16:55:04 2.258000 0.723871 BFGS: 2217 16:55:04 2.251026 0.722560 BFGS: 2218 16:55:04 2.244067 0.721250 BFGS: 2219 16:55:04 2.237123 0.719942 BFGS: 2220 16:55:04 2.230193 0.718635 BFGS: 2221 16:55:04 2.223279 0.717330 BFGS: 2222 16:55:04 2.216379 0.716026 BFGS: 2223 16:55:04 2.209493 0.714724 BFGS: 2224 16:55:04 2.202622 0.713424 BFGS: 2225 16:55:04 2.195766 0.712125 BFGS: 2226 16:55:04 2.188925 0.710827 BFGS: 2227 16:55:04 2.182098 0.709531 BFGS: 2228 16:55:04 2.175286 0.708237 BFGS: 2229 16:55:04 2.168489 0.706944 BFGS: 2230 16:55:04 2.161706 0.705653 BFGS: 2231 16:55:04 2.154937 0.704363 BFGS: 2232 16:55:04 2.148184 0.703075 BFGS: 2233 16:55:04 2.141444 0.701788 BFGS: 2234 16:55:04 2.134720 0.700503 BFGS: 2235 16:55:04 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1.500671 0.572467 BFGS: 2341 16:55:04 1.495401 0.571333 BFGS: 2342 16:55:04 1.490143 0.570200 BFGS: 2343 16:55:04 1.484898 0.569068 BFGS: 2344 16:55:04 1.479666 0.567937 BFGS: 2345 16:55:04 1.474447 0.566808 BFGS: 2346 16:55:04 1.469240 0.565679 BFGS: 2347 16:55:04 1.464046 0.564553 BFGS: 2348 16:55:04 1.458864 0.563427 BFGS: 2349 16:55:04 1.453696 0.562303 BFGS: 2350 16:55:04 1.448539 0.561180 BFGS: 2351 16:55:04 1.443396 0.560058 BFGS: 2352 16:55:04 1.438265 0.558938 BFGS: 2353 16:55:04 1.433146 0.557819 BFGS: 2354 16:55:04 1.428040 0.556701 BFGS: 2355 16:55:04 1.422947 0.555584 BFGS: 2356 16:55:04 1.417866 0.554469 BFGS: 2357 16:55:04 1.412797 0.553355 BFGS: 2358 16:55:04 1.407741 0.552242 BFGS: 2359 16:55:04 1.402698 0.551131 BFGS: 2360 16:55:04 1.397667 0.550021 BFGS: 2361 16:55:04 1.392648 0.548912 BFGS: 2362 16:55:04 1.387642 0.547804 BFGS: 2363 16:55:04 1.382649 0.546698 BFGS: 2364 16:55:04 1.377667 0.545592 BFGS: 2365 16:55:04 1.372698 0.544488 BFGS: 2366 16:55:05 1.367742 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1.014030 0.460088 BFGS: 2446 16:55:05 1.010017 0.459080 BFGS: 2447 16:55:05 1.006015 0.458073 BFGS: 2448 16:55:05 1.002024 0.457067 BFGS: 2449 16:55:05 0.998045 0.456063 BFGS: 2450 16:55:05 0.994076 0.455059 BFGS: 2451 16:55:05 0.990119 0.454057 BFGS: 2452 16:55:05 0.986173 0.453055 BFGS: 2453 16:55:05 0.982238 0.452055 BFGS: 2454 16:55:05 0.978315 0.451056 BFGS: 2455 16:55:05 0.974402 0.450058 BFGS: 2456 16:55:05 0.970501 0.449061 BFGS: 2457 16:55:05 0.966611 0.448065 BFGS: 2458 16:55:05 0.962731 0.447070 BFGS: 2459 16:55:05 0.958863 0.446077 BFGS: 2460 16:55:05 0.955006 0.445084 BFGS: 2461 16:55:05 0.951160 0.444093 BFGS: 2462 16:55:05 0.947325 0.443103 BFGS: 2463 16:55:05 0.943502 0.442113 BFGS: 2464 16:55:05 0.939689 0.441125 BFGS: 2465 16:55:05 0.935887 0.440138 BFGS: 2466 16:55:05 0.932096 0.439152 BFGS: 2467 16:55:05 0.928316 0.438167 BFGS: 2468 16:55:05 0.924547 0.437184 BFGS: 2469 16:55:05 0.920789 0.436201 BFGS: 2470 16:55:05 0.917042 0.435219 BFGS: 2471 16:55:05 0.913306 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BFGS: 2918 16:55:08 0.057178 0.093784 BFGS: 2919 16:55:08 0.056529 0.093215 BFGS: 2920 16:55:08 0.055883 0.092648 BFGS: 2921 16:55:08 0.055242 0.092081 BFGS: 2922 16:55:08 0.054604 0.091514 BFGS: 2923 16:55:08 0.053971 0.090948 BFGS: 2924 16:55:08 0.053341 0.090383 BFGS: 2925 16:55:08 0.052715 0.089819 BFGS: 2926 16:55:08 0.052093 0.089255 BFGS: 2927 16:55:08 0.051475 0.088691 BFGS: 2928 16:55:08 0.050861 0.088128 BFGS: 2929 16:55:08 0.050251 0.087566 BFGS: 2930 16:55:08 0.049645 0.087005 BFGS: 2931 16:55:08 0.049043 0.086444 BFGS: 2932 16:55:08 0.048444 0.085883 BFGS: 2933 16:55:08 0.047850 0.085324 BFGS: 2934 16:55:08 0.047259 0.084764 BFGS: 2935 16:55:08 0.046672 0.084206 BFGS: 2936 16:55:08 0.046089 0.083648 BFGS: 2937 16:55:08 0.045510 0.083091 BFGS: 2938 16:55:08 0.044935 0.082534 BFGS: 2939 16:55:08 0.044364 0.081978 BFGS: 2940 16:55:08 0.043796 0.081422 BFGS: 2941 16:55:08 0.043233 0.080867 BFGS: 2942 16:55:08 0.042673 0.080313 BFGS: 2943 16:55:08 0.042117 0.079759 BFGS: 2944 16:55:08 0.041565 0.079206 BFGS: 2945 16:55:08 0.041017 0.078653 BFGS: 2946 16:55:08 0.040472 0.078101 BFGS: 2947 16:55:08 0.039932 0.077550 BFGS: 2948 16:55:08 0.039395 0.076999 BFGS: 2949 16:55:08 0.038862 0.076448 BFGS: 2950 16:55:08 0.038333 0.075899 BFGS: 2951 16:55:08 0.037808 0.075350 BFGS: 2952 16:55:09 0.037286 0.074801 BFGS: 2953 16:55:09 0.036769 0.074253 BFGS: 2954 16:55:09 0.036255 0.073706 BFGS: 2955 16:55:09 0.035745 0.073159 BFGS: 2956 16:55:09 0.035239 0.072613 BFGS: 2957 16:55:09 0.034736 0.072068 BFGS: 2958 16:55:09 0.034238 0.071523 BFGS: 2959 16:55:09 0.033743 0.070978 BFGS: 2960 16:55:09 0.033252 0.070434 BFGS: 2961 16:55:09 0.032764 0.069891 BFGS: 2962 16:55:09 0.032281 0.069348 BFGS: 2963 16:55:09 0.031801 0.068806 BFGS: 2964 16:55:09 0.031325 0.068265 BFGS: 2965 16:55:09 0.030853 0.067724 BFGS: 2966 16:55:09 0.030384 0.067183 BFGS: 2967 16:55:09 0.029920 0.066644 BFGS: 2968 16:55:09 0.029459 0.066104 BFGS: 2969 16:55:09 0.029001 0.065566 BFGS: 2970 16:55:09 0.028548 0.065028 BFGS: 2971 16:55:09 0.028098 0.064490 BFGS: 2972 16:55:09 0.027652 0.063953 BFGS: 2973 16:55:09 0.027210 0.063417 BFGS: 2974 16:55:09 0.026771 0.062881 BFGS: 2975 16:55:09 0.026336 0.062346 BFGS: 2976 16:55:09 0.025905 0.061811 BFGS: 2977 16:55:09 0.025477 0.061277 BFGS: 2978 16:55:09 0.025054 0.060744 BFGS: 2979 16:55:09 0.024634 0.060211 BFGS: 2980 16:55:09 0.024217 0.059678 BFGS: 2981 16:55:09 0.023805 0.059147 BFGS: 2982 16:55:09 0.023396 0.058615 BFGS: 2983 16:55:09 0.022990 0.058085 BFGS: 2984 16:55:09 0.022589 0.057554 BFGS: 2985 16:55:09 0.022191 0.057025 BFGS: 2986 16:55:09 0.021797 0.056496 BFGS: 2987 16:55:09 0.021406 0.055967 BFGS: 2988 16:55:09 0.021019 0.055440 BFGS: 2989 16:55:09 0.020636 0.054912 BFGS: 2990 16:55:09 0.020257 0.054385 BFGS: 2991 16:55:09 0.019881 0.053859 BFGS: 2992 16:55:09 0.019508 0.053334 BFGS: 2993 16:55:09 0.019140 0.052808 BFGS: 2994 16:55:09 0.018775 0.052284 BFGS: 2995 16:55:09 0.018413 0.051760 BFGS: 2996 16:55:09 0.018056 0.051236 BFGS: 2997 16:55:09 0.017702 0.050714 BFGS: 2998 16:55:09 0.017351 0.050191 BFGS: 2999 16:55:09 0.017005 0.049669 BFGS: 3000 16:55:09 0.016661 0.049148 BFGS: 3001 16:55:09 0.016322 0.048628 BFGS: 3002 16:55:09 0.015986 0.048107 BFGS: 3003 16:55:09 0.015654 0.047588 BFGS: 3004 16:55:09 0.015325 0.047069 BFGS: 3005 16:55:09 0.015000 0.046550 BFGS: 3006 16:55:09 0.014678 0.046032 BFGS: 3007 16:55:09 0.014360 0.045515 BFGS: 3008 16:55:09 0.014046 0.044998 BFGS: 3009 16:55:09 0.013735 0.044482 BFGS: 3010 16:55:09 0.013428 0.043966 BFGS: 3011 16:55:09 0.013124 0.043451 BFGS: 3012 16:55:09 0.012824 0.042936 BFGS: 3013 16:55:09 0.012528 0.042422 BFGS: 3014 16:55:09 0.012235 0.041908 BFGS: 3015 16:55:09 0.011946 0.041395 BFGS: 3016 16:55:09 0.011660 0.040883 BFGS: 3017 16:55:09 0.011378 0.040371 BFGS: 3018 16:55:09 0.011099 0.039859 BFGS: 3019 16:55:09 0.010824 0.039348 BFGS: 3020 16:55:09 0.010553 0.038838 BFGS: 3021 16:55:09 0.010285 0.038328 BFGS: 3022 16:55:09 0.010020 0.037819 BFGS: 3023 16:55:09 0.009759 0.037310 BFGS: 3024 16:55:09 0.009502 0.036802 BFGS: 3025 16:55:09 0.009248 0.036294 BFGS: 3026 16:55:09 0.008998 0.035787 BFGS: 3027 16:55:09 0.008751 0.035280 BFGS: 3028 16:55:09 0.008508 0.034774 BFGS: 3029 16:55:09 0.008268 0.034269 BFGS: 3030 16:55:09 0.008032 0.033764 BFGS: 3031 16:55:09 0.007799 0.033259 BFGS: 3032 16:55:09 0.007570 0.032755 BFGS: 3033 16:55:09 0.007344 0.032252 BFGS: 3034 16:55:09 0.007122 0.031749 BFGS: 3035 16:55:09 0.006903 0.031246 BFGS: 3036 16:55:09 0.006688 0.030744 BFGS: 3037 16:55:09 0.006476 0.030243 BFGS: 3038 16:55:09 0.006268 0.029742 BFGS: 3039 16:55:09 0.006063 0.029242 BFGS: 3040 16:55:09 0.005861 0.028742 BFGS: 3041 16:55:09 0.005664 0.028243 BFGS: 3042 16:55:09 0.005469 0.027744 BFGS: 3043 16:55:09 0.005278 0.027246 BFGS: 3044 16:55:09 0.005091 0.026748 BFGS: 3045 16:55:09 0.004907 0.026251 BFGS: 3046 16:55:09 0.004726 0.025754 BFGS: 3047 16:55:09 0.004549 0.025258 BFGS: 3048 16:55:09 0.004375 0.024763 BFGS: 3049 16:55:09 0.004205 0.024267 BFGS: 3050 16:55:09 0.004038 0.023773 BFGS: 3051 16:55:09 0.003875 0.023279 BFGS: 3052 16:55:09 0.003715 0.022785 BFGS: 3053 16:55:09 0.003558 0.022292 BFGS: 3054 16:55:09 0.003405 0.021800 BFGS: 3055 16:55:09 0.003255 0.021308 BFGS: 3056 16:55:09 0.003109 0.020816 BFGS: 3057 16:55:09 0.002966 0.020325 BFGS: 3058 16:55:09 0.002827 0.019835 BFGS: 3059 16:55:09 0.002691 0.019345 BFGS: 3060 16:55:09 0.002558 0.018855 BFGS: 3061 16:55:09 0.002429 0.018366 BFGS: 3062 16:55:09 0.002303 0.017878 BFGS: 3063 16:55:09 0.002180 0.017390 BFGS: 3064 16:55:09 0.002061 0.016902 BFGS: 3065 16:55:09 0.001946 0.016415 BFGS: 3066 16:55:09 0.001833 0.015929 BFGS: 3067 16:55:09 0.001724 0.015443 BFGS: 3068 16:55:09 0.001619 0.014958 BFGS: 3069 16:55:09 0.001517 0.014473 BFGS: 3070 16:55:09 0.001418 0.013988 BFGS: 3071 16:55:09 0.001322 0.013504 BFGS: 3072 16:55:09 0.001230 0.013021 BFGS: 3073 16:55:09 0.001141 0.012538 BFGS: 3074 16:55:09 0.001056 0.012056 BFGS: 3075 16:55:09 0.000974 0.011574 BFGS: 3076 16:55:09 0.000895 0.011092 BFGS: 3077 16:55:09 0.000820 0.010611 BFGS: 3078 16:55:09 0.000748 0.010131 BFGS: 3079 16:55:09 0.000679 0.009651 BFGS: 3080 16:55:09 0.000614 0.009172 BFGS: 3081 16:55:09 0.000552 0.008693 BFGS: 3082 16:55:09 0.000493 0.008214 BFGS: 3083 16:55:09 0.000438 0.007736 BFGS: 3084 16:55:09 0.000385 0.007259 BFGS: 3085 16:55:09 0.000337 0.006782 BFGS: 3086 16:55:09 0.000291 0.006305 BFGS: 3087 16:55:09 0.000249 0.005830 BFGS: 3088 16:55:09 0.000210 0.005354 BFGS: 3089 16:55:09 0.000175 0.004879 BFGS: 3090 16:55:09 0.000143 0.004405 BFGS: 3091 16:55:09 0.000114 0.003931 BFGS: 3092 16:55:09 0.000088 0.003457 BFGS: 3093 16:55:09 0.000066 0.002984 BFGS: 3094 16:55:09 0.000046 0.002512 BFGS: 3095 16:55:09 0.000031 0.002039 BFGS: 3096 16:55:09 0.000018 0.001568 BFGS: 3097 16:55:09 0.000009 0.001097 BFGS: 3098 16:55:09 0.000003 0.000626 BFGS: 3099 16:55:09 0.000000 0.000156 BFGS: 3100 16:55:09 0.000000 0.000000 BFGS: 3101 16:55:09 0.000000 0.000000 Minimization converged after 3101 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.435334714174439e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[6.33703008e-01 0.00000000e+00 9.03150462e-33] [3.66296992e-01 0.00000000e+00 1.23991395e-33] [1.33703008e-01 5.00000000e-01 9.01004161e-33] [8.66296992e-01 5.00000000e-01 1.24828096e-33] [8.50801492e-01 3.02983669e-35 5.00000000e-01] [1.49198508e-01 0.00000000e+00 5.00000000e-01] [3.50801492e-01 5.00000000e-01 5.00000000e-01] [6.49198508e-01 5.00000000e-01 5.00000000e-01]] cellpar = Cell([[30.95270905636602, -3.5437862240271803e-34, 0.0], [-3.706358309416917e-34, 54.98295046002533, 0.0], [0.0, 0.0, 7.349999999914849]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 0.00000000e+00 0.00000000e+00 -3.43533471e-14 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0