element(s): ['C', 'Si'] AFLOW prototype label: AB_hR22_160_11a_11a Parameter names: ['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'x5', 'x6', 'x7', 'x8', 'x9', 'x10', 'x11', 'x12', 'x13', 'x14', 'x15', 'x16', 'x17', 'x18', 'x19', 'x20', 'x21', 'x22'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.0943658', '26.986364', '0.71966764', '0.41660922', '0.11365575', '0.47724741', '0.84087893', '0.20460032', '0.90148741', '0.59842666', '0.29547118', '0.65902784', '0.022779399', '0.63632199', '0.27268234', '0.57569827', '0.87878814', '0.18181002', '0.81812289', '0.45452238', '0.09086449', '0.3938832', '0.69697081', '0.99995706'] model name: MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0.71966764] [0. 0. 0.41660922] [0. 0. 0.11365575] [0. 0. 0.47724741] [0. 0. 0.84087893] [0. 0. 0.20460032] [0. 0. 0.90148741] [0. 0. 0.59842666] [0. 0. 0.29547118] [0. 0. 0.65902784] [0. 0. 0.0227794 ] [0. 0. 0.63632199] [0. 0. 0.27268234] [0. 0. 0.57569827] [0. 0. 0.87878814] [0. 0. 0.18181002] [0. 0. 0.81812289] [0. 0. 0.45452238] [0. 0. 0.09086449] [0. 0. 0.3938832 ] [0. 0. 0.69697081] [0. 0. 0.99995706]] spacegroup = 160 cell = [[3.0944, 0, 0], [-1.5472, 2.6798290094706, 0], [0, 0, 83.5057]] ========================================= Step Time Energy fmax BFGS: 0 10:42:35 -424.452196 0.441784 BFGS: 1 10:42:35 -424.462162 0.240164 BFGS: 2 10:42:35 -424.471523 0.183566 BFGS: 3 10:42:35 -424.474041 0.185753 BFGS: 4 10:42:36 -424.479998 0.186065 BFGS: 5 10:42:36 -424.486074 0.169819 BFGS: 6 10:42:36 -424.496514 0.145718 BFGS: 7 10:42:36 -424.508602 0.144185 BFGS: 8 10:42:36 -424.520804 0.131919 BFGS: 9 10:42:36 -424.531913 0.108756 BFGS: 10 10:42:36 -424.540329 0.073715 BFGS: 11 10:42:36 -424.543817 0.036900 BFGS: 12 10:42:36 -424.545291 0.018655 BFGS: 13 10:42:36 -424.546113 0.021576 BFGS: 14 10:42:36 -424.546872 0.025991 BFGS: 15 10:42:36 -424.547575 0.067295 BFGS: 16 10:42:36 -424.548807 0.047557 BFGS: 17 10:42:36 -424.550666 0.069764 BFGS: 18 10:42:36 -424.556349 0.107702 BFGS: 19 10:42:36 -424.577743 0.203335 BFGS: 20 10:42:36 -424.661752 0.414951 BFGS: 21 10:42:36 -424.994897 0.969065 BFGS: 22 10:42:36 -426.317017 2.297611 BFGS: 23 10:42:36 -429.179495 4.510322 BFGS: 24 10:42:36 -433.668477 7.661416 BFGS: 25 10:42:36 -440.050079 11.880912 BFGS: 26 10:42:36 -448.808082 16.923932 BFGS: 27 10:42:36 -460.271191 21.073522 BFGS: 28 10:42:36 -473.649734 19.523183 BFGS: 29 10:42:36 -485.472339 10.888740 BFGS: 30 10:42:36 -492.776034 12.071504 BFGS: 31 10:42:36 -498.531096 14.175225 BFGS: 32 10:42:36 -503.664109 17.683364 BFGS: 33 10:42:36 -508.230372 19.854141 BFGS: 34 10:42:36 -512.361110 21.041137 BFGS: 35 10:42:36 -516.102690 21.496840 BFGS: 36 10:42:36 -519.492719 21.415445 BFGS: 37 10:42:36 -522.589275 20.949375 BFGS: 38 10:42:36 -525.436618 20.218603 BFGS: 39 10:42:36 -528.071081 19.527130 BFGS: 40 10:42:36 -530.525734 19.926800 BFGS: 41 10:42:37 -532.831595 20.775228 BFGS: 42 10:42:37 -535.019411 21.575542 BFGS: 43 10:42:37 -537.122461 22.322515 BFGS: 44 10:42:37 -539.179746 23.009969 BFGS: 45 10:42:37 -541.237777 23.629570 BFGS: 46 10:42:37 -543.348384 24.182396 BFGS: 47 10:42:37 -545.562540 24.769389 BFGS: 48 10:42:37 -547.913734 25.127100 BFGS: 49 10:42:37 -550.351294 25.203833 BFGS: 50 10:42:37 -552.747607 25.185630 BFGS: 51 10:42:37 -555.073899 24.911728 BFGS: 52 10:42:37 -557.330502 24.407557 BFGS: 53 10:42:37 -559.522573 23.708020 BFGS: 54 10:42:37 -561.663708 22.841708 BFGS: 55 10:42:37 -563.783131 22.156748 BFGS: 56 10:42:37 -565.935741 21.644300 BFGS: 57 10:42:37 -568.223074 21.064740 BFGS: 58 10:42:37 -570.840709 20.438286 BFGS: 59 10:42:37 -574.186352 19.795671 BFGS: 60 10:42:37 -578.551199 19.209671 BFGS: 61 10:42:37 -582.586636 18.720298 BFGS: 62 10:42:37 -586.290944 18.257073 BFGS: 63 10:42:37 -589.551258 18.442782 BFGS: 64 10:42:37 -591.603270 20.013293 BFGS: 65 10:42:37 -593.284140 21.330129 BFGS: 66 10:42:37 -594.946435 22.571541 BFGS: 67 10:42:37 -596.672105 23.786184 BFGS: 68 10:42:37 -598.497148 25.012200 BFGS: 69 10:42:37 -600.561194 26.321120 BFGS: 70 10:42:37 -603.024299 27.812559 BFGS: 71 10:42:37 -605.751706 29.523047 BFGS: 72 10:42:37 -608.175593 31.155411 BFGS: 73 10:42:37 -610.102158 31.982538 BFGS: 74 10:42:38 -611.308480 32.773115 BFGS: 75 10:42:38 -613.781640 33.889175 BFGS: 76 10:42:38 -614.974232 34.565454 BFGS: 77 10:42:38 -616.399562 35.106350 BFGS: 78 10:42:38 -617.794553 35.800716 BFGS: 79 10:42:38 -619.146867 36.554467 BFGS: 80 10:42:38 -620.622433 36.893397 BFGS: 81 10:42:38 -622.046358 37.222040 BFGS: 82 10:42:38 -623.470717 37.385350 BFGS: 83 10:42:38 -625.001306 37.377061 BFGS: 84 10:42:38 -626.971072 36.926834 BFGS: 85 10:42:38 -629.321211 35.675049 BFGS: 86 10:42:38 -632.017025 34.002815 BFGS: 87 10:42:38 -634.582035 32.382795 BFGS: 88 10:42:38 -636.964585 31.004363 BFGS: 89 10:42:38 -639.739543 29.688708 BFGS: 90 10:42:38 -641.932269 28.809821 BFGS: 91 10:42:38 -644.236969 27.489037 BFGS: 92 10:42:38 -647.120879 26.790520 BFGS: 93 10:42:38 -649.167250 26.882699 BFGS: 94 10:42:38 -651.431985 26.946562 BFGS: 95 10:42:38 -654.577999 26.695120 BFGS: 96 10:42:38 -656.006435 26.604286 BFGS: 97 10:42:38 -657.287830 26.967789 BFGS: 98 10:42:38 -658.487794 28.003300 BFGS: 99 10:42:38 -659.639436 28.911586 BFGS: 100 10:42:38 -660.760645 29.799045 BFGS: 101 10:42:38 -661.860594 30.641976 BFGS: 102 10:42:38 -662.945321 31.489293 BFGS: 103 10:42:38 -664.018842 32.368456 BFGS: 104 10:42:38 -665.084659 33.250643 BFGS: 105 10:42:38 -666.147897 34.146098 BFGS: 106 10:42:38 -667.212259 35.028590 BFGS: 107 10:42:38 -668.281602 35.926814 BFGS: 108 10:42:38 -669.297739 36.954473 BFGS: 109 10:42:39 -670.253528 37.811821 BFGS: 110 10:42:39 -671.199489 38.711097 BFGS: 111 10:42:39 -672.166872 39.445394 BFGS: 112 10:42:39 -673.143716 40.235797 BFGS: 113 10:42:39 -674.129701 40.874553 BFGS: 114 10:42:39 -675.119946 41.596721 BFGS: 115 10:42:39 -676.111843 42.155954 BFGS: 116 10:42:39 -677.099661 42.792792 BFGS: 117 10:42:39 -678.077372 43.315284 BFGS: 118 10:42:39 -679.045813 43.826145 BFGS: 119 10:42:39 -679.818089 44.270650 BFGS: 120 10:42:39 -680.488439 44.635738 BFGS: 121 10:42:39 -681.429461 45.060591 BFGS: 122 10:42:39 -682.379218 45.430436 BFGS: 123 10:42:39 -683.316575 45.787651 BFGS: 124 10:42:39 -684.238171 46.103691 BFGS: 125 10:42:39 -685.143107 46.384021 BFGS: 126 10:42:39 -686.029478 46.618606 BFGS: 127 10:42:39 -686.892087 46.803355 BFGS: 128 10:42:39 -687.681945 46.929694 BFGS: 129 10:42:39 -688.303936 47.008259 BFGS: 130 10:42:39 -688.901803 47.065133 BFGS: 131 10:42:39 -689.455313 47.073185 BFGS: 132 10:42:39 -690.185253 47.081324 BFGS: 133 10:42:39 -691.795329 47.070141 BFGS: 134 10:42:39 -693.472341 47.295092 BFGS: 135 10:42:39 -695.075965 47.529619 BFGS: 136 10:42:39 -696.669988 47.671021 BFGS: 137 10:42:39 -698.240033 47.819907 BFGS: 138 10:42:39 -699.771466 47.912443 BFGS: 139 10:42:39 -701.268962 47.991156 BFGS: 140 10:42:39 -702.323488 48.001041 BFGS: 141 10:42:39 -703.125261 48.038403 BFGS: 142 10:42:39 -703.787382 48.038455 BFGS: 143 10:42:39 -704.318217 48.063967 BFGS: 144 10:42:39 -704.818505 48.059167 BFGS: 145 10:42:39 -705.254163 48.068390 BFGS: 146 10:42:39 -705.689512 48.070208 BFGS: 147 10:42:39 -706.147420 48.073301 BFGS: 148 10:42:39 -706.630542 48.044287 BFGS: 149 10:42:40 -707.331188 48.080307 BFGS: 150 10:42:40 -708.119620 48.209850 BFGS: 151 10:42:40 -708.844486 48.351537 BFGS: 152 10:42:40 -709.449462 48.321218 BFGS: 153 10:42:40 -710.920259 48.029903 BFGS: 154 10:42:40 -712.354855 47.784253 BFGS: 155 10:42:40 -713.692120 47.394214 BFGS: 156 10:42:40 -714.887812 46.743980 BFGS: 157 10:42:40 -715.930680 45.774409 BFGS: 158 10:42:40 -716.867305 44.529364 BFGS: 159 10:42:40 -717.528865 43.537413 BFGS: 160 10:42:40 -718.073712 42.761437 BFGS: 161 10:42:40 -718.582227 42.080790 BFGS: 162 10:42:40 -719.088223 41.400546 BFGS: 163 10:42:40 -719.606963 40.709862 BFGS: 164 10:42:40 -720.165818 39.984395 BFGS: 165 10:42:40 -720.811597 39.191800 BFGS: 166 10:42:40 -721.602577 38.292093 BFGS: 167 10:42:40 -722.599176 37.702336 BFGS: 168 10:42:40 -723.606992 39.487061 BFGS: 169 10:42:40 -724.596847 41.428018 BFGS: 170 10:42:40 -725.839697 41.290728 BFGS: 171 10:42:40 -727.205165 42.195804 BFGS: 172 10:42:40 -728.633486 42.171923 BFGS: 173 10:42:40 -730.190717 41.418290 BFGS: 174 10:42:40 -731.718826 39.956843 BFGS: 175 10:42:40 -733.280065 38.476215 BFGS: 176 10:42:40 -734.773856 36.829747 BFGS: 177 10:42:40 -736.272026 36.177565 BFGS: 178 10:42:40 -737.687029 36.479799 BFGS: 179 10:42:40 -739.079659 37.573211 BFGS: 180 10:42:40 -740.388129 40.340569 BFGS: 181 10:42:40 -741.665468 42.690464 BFGS: 182 10:42:40 -742.870451 45.017432 BFGS: 183 10:42:40 -744.052324 46.466659 BFGS: 184 10:42:40 -745.170749 48.926568 BFGS: 185 10:42:40 -746.282086 49.491893 BFGS: 186 10:42:40 -747.346632 51.606988 BFGS: 187 10:42:40 -748.393910 52.502356 BFGS: 188 10:42:40 -749.415912 53.845320 BFGS: 189 10:42:40 -750.417231 54.795752 BFGS: 190 10:42:40 -751.400841 55.805560 BFGS: 191 10:42:40 -752.366834 56.645331 BFGS: 192 10:42:40 -753.318129 57.458521 BFGS: 193 10:42:40 -754.254722 58.168469 BFGS: 194 10:42:40 -755.178467 58.831270 BFGS: 195 10:42:40 -756.089617 59.416932 BFGS: 196 10:42:41 -756.989295 59.950798 BFGS: 197 10:42:41 -757.877879 60.420119 BFGS: 198 10:42:41 -758.756084 60.837453 BFGS: 199 10:42:41 -759.624311 61.197379 BFGS: 200 10:42:41 -760.483059 61.506694 BFGS: 201 10:42:41 -761.332724 61.763356 BFGS: 202 10:42:41 -762.173757 61.971624 BFGS: 203 10:42:41 -763.006672 62.131733 BFGS: 204 10:42:41 -763.832275 62.247498 BFGS: 205 10:42:41 -764.652278 62.324557 BFGS: 206 10:42:41 -765.454696 62.275086 BFGS: 207 10:42:41 -766.245667 62.259676 BFGS: 208 10:42:41 -767.012990 62.090290 BFGS: 209 10:42:41 -767.769529 62.091221 BFGS: 210 10:42:41 -768.442999 61.235762 BFGS: 211 10:42:41 -769.148545 60.726843 BFGS: 212 10:42:41 -769.857119 60.335265 BFGS: 213 10:42:41 -770.568643 60.007366 BFGS: 214 10:42:41 -771.283565 59.746338 BFGS: 215 10:42:41 -772.002795 59.531147 BFGS: 216 10:42:41 -772.726298 59.365898 BFGS: 217 10:42:41 -773.453978 59.234850 BFGS: 218 10:42:41 -774.185172 59.140571 BFGS: 219 10:42:41 -774.919340 59.069957 BFGS: 220 10:42:41 -775.655697 59.025475 BFGS: 221 10:42:41 -776.393696 58.996254 BFGS: 222 10:42:41 -777.132680 58.985540 BFGS: 223 10:42:41 -777.872248 58.984296 BFGS: 224 10:42:41 -778.611920 58.996672 BFGS: 225 10:42:41 -779.351439 59.014815 BFGS: 226 10:42:41 -780.090467 59.043872 BFGS: 227 10:42:41 -780.828870 59.076433 BFGS: 228 10:42:41 -781.566409 59.118636 BFGS: 229 10:42:41 -782.303041 59.163060 BFGS: 230 10:42:41 -783.038594 59.216875 BFGS: 231 10:42:41 -783.773088 59.272123 BFGS: 232 10:42:41 -784.506393 59.337237 BFGS: 233 10:42:41 -785.238575 59.403310 BFGS: 234 10:42:41 -785.969527 59.480332 BFGS: 235 10:42:41 -786.699353 59.557897 BFGS: 236 10:42:41 -787.427948 59.647962 BFGS: 237 10:42:41 -788.155451 59.738178 BFGS: 238 10:42:41 -788.881754 59.842903 BFGS: 239 10:42:41 -789.607039 59.947487 BFGS: 240 10:42:41 -790.331216 60.068531 BFGS: 241 10:42:42 -791.054599 60.189875 BFGS: 242 10:42:42 -791.772798 60.543676 BFGS: 243 10:42:42 -792.491884 62.858708 BFGS: 244 10:42:42 -793.233175 63.207478 BFGS: 245 10:42:42 -793.957196 63.382746 BFGS: 246 10:42:42 -794.692849 63.372049 BFGS: 247 10:42:42 -795.419694 63.586397 BFGS: 248 10:42:42 -796.156942 63.436206 BFGS: 249 10:42:42 -796.885019 63.747325 BFGS: 250 10:42:42 -797.628156 63.307610 BFGS: 251 10:42:42 -798.353795 63.943206 BFGS: 252 10:42:42 -799.112735 62.272448 BFGS: 253 10:42:42 -800.199719 46.233092 BFGS: 254 10:42:42 -801.116946 44.595035 BFGS: 255 10:42:42 -802.058381 44.402839 BFGS: 256 10:42:42 -803.495546 52.096879 BFGS: 257 10:42:42 -804.989387 56.857927 BFGS: 258 10:42:42 -806.346406 58.867775 BFGS: 259 10:42:42 -807.699593 64.981583 BFGS: 260 10:42:42 -809.109083 63.023016 BFGS: 261 10:42:42 -810.414931 61.498249 BFGS: 262 10:42:42 -811.685256 60.069551 BFGS: 263 10:42:43 -812.948473 58.781333 BFGS: 264 10:42:43 -814.235741 57.488631 BFGS: 265 10:42:43 -815.569698 56.168858 BFGS: 266 10:42:43 -816.975809 54.698635 BFGS: 267 10:42:43 -818.466527 53.081221 BFGS: 268 10:42:43 -820.054314 51.241246 BFGS: 269 10:42:43 -821.731570 49.294289 BFGS: 270 10:42:43 -823.490547 47.266167 BFGS: 271 10:42:43 -825.291534 45.434392 BFGS: 272 10:42:43 -827.114279 43.981335 BFGS: 273 10:42:43 -829.088564 42.784268 BFGS: 274 10:42:43 -831.207176 40.965391 BFGS: 275 10:42:43 -833.315752 39.721951 BFGS: 276 10:42:43 -835.441374 38.795780 BFGS: 277 10:42:43 -837.515053 38.685372 BFGS: 278 10:42:43 -839.605434 40.096565 BFGS: 279 10:42:43 -841.618265 41.703248 BFGS: 280 10:42:43 -843.651079 42.132544 BFGS: 281 10:42:43 -845.596937 43.182108 BFGS: 282 10:42:43 -847.548472 43.299374 BFGS: 283 10:42:43 -849.430622 43.934310 BFGS: 284 10:42:43 -851.297802 44.005943 BFGS: 285 10:42:43 -853.115030 44.455207 BFGS: 286 10:42:43 -854.914046 44.480920 BFGS: 287 10:42:43 -856.677128 44.936965 BFGS: 288 10:42:43 -858.433154 44.853381 BFGS: 289 10:42:43 -860.196936 45.460239 BFGS: 290 10:42:44 -861.964723 46.093499 BFGS: 291 10:42:44 -863.731023 46.991134 BFGS: 292 10:42:44 -865.495021 47.965457 BFGS: 293 10:42:44 -867.245733 49.325678 BFGS: 294 10:42:44 -868.973503 50.840761 BFGS: 295 10:42:44 -870.651067 53.115305 BFGS: 296 10:42:44 -872.286561 55.425236 BFGS: 297 10:42:44 -873.949113 58.106267 BFGS: 298 10:42:44 -875.627998 59.861474 BFGS: 299 10:42:44 -877.300391 62.452029 BFGS: 300 10:42:44 -879.013213 63.718590 BFGS: 301 10:42:44 -880.723843 65.620376 BFGS: 302 10:42:44 -882.483332 66.580192 BFGS: 303 10:42:44 -884.251666 67.449761 BFGS: 304 10:42:44 -886.070589 68.313377 BFGS: 305 10:42:44 -887.915155 67.918249 BFGS: 306 10:42:44 -889.830123 68.360451 BFGS: 307 10:42:44 -891.746576 70.022730 BFGS: 308 10:42:44 -893.618247 53.256293 BFGS: 309 10:42:44 -895.828413 50.526818 BFGS: 310 10:42:44 -898.024733 52.256642 BFGS: 311 10:42:44 -900.176490 56.833247 BFGS: 312 10:42:44 -902.280027 61.340037 BFGS: 313 10:42:44 -904.347368 65.898236 BFGS: 314 10:42:44 -906.406238 70.274434 BFGS: 315 10:42:44 -908.484704 74.706048 BFGS: 316 10:42:44 -910.615559 78.907174 BFGS: 317 10:42:44 -912.817319 83.408941 BFGS: 318 10:42:44 -915.130375 87.934020 BFGS: 319 10:42:44 -917.563835 94.119570 BFGS: 320 10:42:45 -920.030256 100.828984 BFGS: 321 10:42:45 -922.232004 108.525965 BFGS: 322 10:42:45 -924.235958 115.514325 BFGS: 323 10:42:45 -926.024306 122.206102 BFGS: 324 10:42:45 -927.720233 127.867333 BFGS: 325 10:42:45 -929.412474 133.635920 BFGS: 326 10:42:45 -931.106526 139.466927 BFGS: 327 10:42:45 -932.826701 145.432170 BFGS: 328 10:42:45 -934.670338 151.200221 BFGS: 329 10:42:45 -936.587205 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-997.643700 142.362188 BFGS: 354 10:42:46 -1000.047254 134.383548 BFGS: 355 10:42:46 -1002.482134 126.674886 BFGS: 356 10:42:46 -1004.930438 119.527138 BFGS: 357 10:42:46 -1007.373118 112.849566 BFGS: 358 10:42:46 -1009.809231 106.642313 BFGS: 359 10:42:46 -1012.232241 101.045320 BFGS: 360 10:42:46 -1014.634014 96.012771 BFGS: 361 10:42:46 -1016.997380 91.678880 BFGS: 362 10:42:46 -1019.326331 87.084023 BFGS: 363 10:42:46 -1021.618522 83.074116 BFGS: 364 10:42:46 -1023.891004 77.405739 BFGS: 365 10:42:46 -1026.103944 73.261092 BFGS: 366 10:42:46 -1028.400029 66.915859 BFGS: 367 10:42:46 -1030.648031 59.899403 BFGS: 368 10:42:46 -1032.812761 50.794528 BFGS: 369 10:42:46 -1034.869586 42.508471 BFGS: 370 10:42:46 -1036.855867 38.410490 BFGS: 371 10:42:46 -1038.769167 36.316744 BFGS: 372 10:42:46 -1040.644119 34.208926 BFGS: 373 10:42:46 -1042.468531 33.617963 BFGS: 374 10:42:46 -1044.270497 34.927613 BFGS: 375 10:42:46 -1046.031700 35.356790 BFGS: 376 10:42:46 -1047.777336 36.556396 BFGS: 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-2259.476062 76.574093 BFGS: 7586 10:45:37 -2259.473632 76.533122 BFGS: 7587 10:45:37 -2259.471217 76.668990 BFGS: 7588 10:45:37 -2259.468801 77.084449 BFGS: 7589 10:45:37 -2259.466375 76.850123 BFGS: 7590 10:45:37 -2259.463947 76.750435 BFGS: 7591 10:45:37 -2259.423755 93.180040 BFGS: 7592 10:45:37 -2259.459081 76.533000 BFGS: 7593 10:45:37 -2259.456654 76.472949 BFGS: 7594 10:45:37 -2259.454227 76.546092 BFGS: 7595 10:45:37 -2259.451800 76.464156 BFGS: 7596 10:45:37 -2259.449376 76.525875 BFGS: 7597 10:45:37 -2259.445628 79.860022 BFGS: 7598 10:45:38 -2259.444561 76.941805 BFGS: 7599 10:45:38 -2259.442139 77.065175 BFGS: 7600 10:45:38 -2259.439633 78.022868 BFGS: 7601 10:45:38 -2259.437300 77.171842 BFGS: 7602 10:45:38 -2259.434883 77.225296 BFGS: 7603 10:45:38 -2259.432357 77.915405 BFGS: 7604 10:45:38 -2259.430036 77.213280 BFGS: 7605 10:45:38 -2259.427618 77.271837 BFGS: 7606 10:45:38 -2259.425182 77.636745 BFGS: 7607 10:45:38 -2259.422761 77.278235 BFGS: 7608 10:45:38 -2259.420337 77.319557 BFGS: 7609 10:45:38 -2259.417276 78.790405 BFGS: 7610 10:45:38 -2259.415475 77.337224 BFGS: 7611 10:45:38 -2259.413061 77.459688 BFGS: 7612 10:45:38 -2259.410639 77.714592 BFGS: 7613 10:45:38 -2259.408202 77.511252 BFGS: 7614 10:45:38 -2259.405768 77.502719 BFGS: 7615 10:45:38 -2259.403348 77.959290 BFGS: 7616 10:45:38 -2259.400914 77.650472 BFGS: 7617 10:45:38 -2259.398479 77.649359 BFGS: 7618 10:45:38 -2259.396044 78.197097 BFGS: 7619 10:45:38 -2259.393622 77.741691 BFGS: 7620 10:45:38 -2259.391192 77.775577 BFGS: 7621 10:45:38 -2259.359420 86.824881 BFGS: 7622 10:45:38 -2259.386322 77.762625 BFGS: 7623 10:45:38 -2259.383907 77.899905 BFGS: 7624 10:45:38 -2259.381482 78.071709 BFGS: 7625 10:45:38 -2259.379043 77.951829 BFGS: 7626 10:45:38 -2259.376597 77.889214 BFGS: 7627 10:45:38 -2259.374155 77.977352 BFGS: 7628 10:45:38 -2259.318816 98.697668 BFGS: 7629 10:45:38 -2259.369261 78.094309 BFGS: 7630 10:45:38 -2259.366826 78.323677 BFGS: 7631 10:45:38 -2259.364391 78.755021 BFGS: 7632 10:45:38 -2259.361946 78.533577 BFGS: 7633 10:45:38 -2259.359526 78.179028 BFGS: 7634 10:45:38 -2259.357108 77.860219 BFGS: 7635 10:45:38 -2259.354675 77.898913 BFGS: 7636 10:45:38 -2259.350298 80.695174 BFGS: 7637 10:45:38 -2259.349821 78.215377 BFGS: 7638 10:45:38 -2259.347399 78.384078 BFGS: 7639 10:45:38 -2259.344969 78.617107 BFGS: 7640 10:45:38 -2259.342524 78.441331 BFGS: 7641 10:45:38 -2259.340077 78.412070 BFGS: 7642 10:45:39 -2259.337648 78.763020 BFGS: 7643 10:45:39 -2259.335209 78.681539 BFGS: 7644 10:45:39 -2259.332680 77.880423 BFGS: 7645 10:45:39 -2259.330287 79.527115 BFGS: 7646 10:45:39 -2259.327890 78.579143 BFGS: 7647 10:45:39 -2259.325444 78.670233 BFGS: 7648 10:45:39 -2259.322988 79.064061 BFGS: 7649 10:45:39 -2259.320530 78.658671 BFGS: 7650 10:45:39 -2259.318062 78.699090 BFGS: 7651 10:45:39 -2259.315479 80.323485 BFGS: 7652 10:45:39 -2259.313123 78.869220 BFGS: 7653 10:45:39 -2259.310644 79.031518 BFGS: 7654 10:45:39 -2259.308158 79.529425 BFGS: 7655 10:45:39 -2259.305665 79.146581 BFGS: 7656 10:45:39 -2259.303157 79.119819 BFGS: 7657 10:45:39 -2259.300655 79.456724 BFGS: 7658 10:45:39 -2259.298140 79.396688 BFGS: 7659 10:45:39 -2259.295601 78.980822 BFGS: 7660 10:45:39 -2259.293095 79.438728 BFGS: 7661 10:45:39 -2259.290558 79.390031 BFGS: 7662 10:45:39 -2259.288022 79.394537 BFGS: 7663 10:45:39 -2259.284844 81.562704 BFGS: 7664 10:45:39 -2259.282887 78.891852 BFGS: 7665 10:45:39 -2259.280392 79.842505 BFGS: 7666 10:45:39 -2259.277838 79.688082 BFGS: 7667 10:45:39 -2259.275275 79.839600 BFGS: 7668 10:45:39 -2259.272705 79.720256 BFGS: 7669 10:45:39 -2259.270127 79.795608 BFGS: 7670 10:45:39 -2259.267212 82.572516 BFGS: 7671 10:45:39 -2259.264891 79.755653 BFGS: 7672 10:45:39 -2259.262368 80.021128 BFGS: 7673 10:45:39 -2259.259775 80.129931 BFGS: 7674 10:45:39 -2259.257165 80.159965 BFGS: 7675 10:45:39 -2240.835802 1260.358892 BFGS: 7676 10:45:39 -2259.251470 77.789241 BFGS: 7677 10:45:39 -2259.249829 78.908356 BFGS: 7678 10:45:39 -2259.247323 80.345351 BFGS: 7679 10:45:39 -2259.244706 80.447425 BFGS: 7680 10:45:39 -2259.242053 81.799479 BFGS: 7681 10:45:39 -2259.239495 80.863160 BFGS: 7682 10:45:39 -2259.236881 80.803803 BFGS: 7683 10:45:39 -2259.235296 80.184746 BFGS: 7684 10:45:39 -2259.233758 79.439266 BFGS: 7685 10:45:40 -2259.231277 79.413894 BFGS: 7686 10:45:40 -2259.228894 79.648635 BFGS: 7687 10:45:40 -2259.226467 80.001591 BFGS: 7688 10:45:40 -2259.224031 82.619792 BFGS: 7689 10:45:40 -2259.221730 81.261434 BFGS: 7690 10:45:40 -2259.219261 81.318117 BFGS: 7691 10:45:40 -2259.216489 82.514202 BFGS: 7692 10:45:40 -2259.214317 81.288239 BFGS: 7693 10:45:40 -2259.211855 81.390028 BFGS: 7694 10:45:40 -2259.209385 81.748617 BFGS: 7695 10:45:40 -2259.206909 81.441825 BFGS: 7696 10:45:40 -2259.204431 81.456783 BFGS: 7697 10:45:40 -2259.201846 82.340457 BFGS: 7698 10:45:40 -2259.199484 81.528241 BFGS: 7699 10:45:40 -2259.197016 81.625199 BFGS: 7700 10:45:40 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-2258.964981 85.745048 BFGS: 7793 10:45:42 -2258.962458 85.519841 BFGS: 7794 10:45:42 -2258.959937 85.518102 BFGS: 7795 10:45:42 -2258.957433 85.900481 BFGS: 7796 10:45:42 -2258.954910 85.662807 BFGS: 7797 10:45:42 -2258.952388 85.658573 BFGS: 7798 10:45:42 -2258.949883 86.006873 BFGS: 7799 10:45:42 -2258.947359 85.801937 BFGS: 7800 10:45:42 -2258.944833 85.782952 BFGS: 7801 10:45:42 -2258.942328 85.982869 BFGS: 7802 10:45:42 -2258.939810 86.040943 BFGS: 7803 10:45:42 -2258.937258 86.446170 BFGS: 7804 10:45:42 -2258.934753 85.926095 BFGS: 7805 10:45:42 -2258.932240 86.023260 BFGS: 7806 10:45:42 -2258.929698 86.587223 BFGS: 7807 10:45:42 -2258.927194 86.083888 BFGS: 7808 10:45:42 -2258.924676 86.158081 BFGS: 7809 10:45:42 -2258.922027 87.073043 BFGS: 7810 10:45:42 -2258.919625 86.192806 BFGS: 7811 10:45:42 -2258.917110 86.306005 BFGS: 7812 10:45:42 -2258.914585 86.709500 BFGS: 7813 10:45:42 -2258.912059 86.356352 BFGS: 7814 10:45:43 -2258.909535 86.400510 BFGS: 7815 10:45:43 -2258.763849 109.555624 BFGS: 7816 10:45:43 -2258.904474 86.411531 BFGS: 7817 10:45:43 -2258.901965 86.580095 BFGS: 7818 10:45:43 -2258.899445 86.799529 BFGS: 7819 10:45:43 -2258.896912 86.666497 BFGS: 7820 10:45:43 -2258.894373 86.610376 BFGS: 7821 10:45:43 -2258.891839 86.626319 BFGS: 7822 10:45:43 -2258.889322 87.189643 BFGS: 7823 10:45:43 -2258.886798 86.801880 BFGS: 7824 10:45:43 -2258.884268 86.837136 BFGS: 7825 10:45:43 -2258.878360 90.523012 BFGS: 7826 10:45:43 -2258.879201 86.857374 BFGS: 7827 10:45:43 -2258.876685 87.016474 BFGS: 7828 10:45:43 -2258.874161 87.239086 BFGS: 7829 10:45:43 -2258.871623 87.088120 BFGS: 7830 10:45:43 -2258.869081 87.044995 BFGS: 7831 10:45:43 -2258.866550 87.116212 BFGS: 7832 10:45:43 -2258.861909 90.243015 BFGS: 7833 10:45:43 -2258.861483 87.170879 BFGS: 7834 10:45:43 -2258.858963 87.322933 BFGS: 7835 10:45:43 -2258.856436 87.555962 BFGS: 7836 10:45:43 -2258.853895 87.383769 BFGS: 7837 10:45:43 -2258.851352 87.351984 BFGS: 7838 10:45:43 -2258.848825 87.477087 BFGS: 7839 10:45:43 -2258.846286 87.904820 BFGS: 7840 10:45:43 -2258.843751 87.519068 BFGS: 7841 10:45:43 -2258.841216 87.564680 BFGS: 7842 10:45:43 -2258.829761 93.349796 BFGS: 7843 10:45:43 -2258.836134 87.581575 BFGS: 7844 10:45:43 -2258.833612 87.744294 BFGS: 7845 10:45:43 -2258.831080 87.954459 BFGS: 7846 10:45:43 -2258.828535 87.820653 BFGS: 7847 10:45:43 -2258.825985 87.765116 BFGS: 7848 10:45:43 -2258.823440 87.781450 BFGS: 7849 10:45:43 -2258.820895 88.463278 BFGS: 7850 10:45:43 -2258.818374 87.951240 BFGS: 7851 10:45:43 -2258.815835 88.006638 BFGS: 7852 10:45:43 -2258.812556 89.830468 BFGS: 7853 10:45:43 -2258.810746 88.020937 BFGS: 7854 10:45:43 -2258.808217 88.161531 BFGS: 7855 10:45:43 -2258.805681 88.426276 BFGS: 7856 10:45:43 -2258.803131 88.223186 BFGS: 7857 10:45:44 -2258.800582 88.210840 BFGS: 7858 10:45:44 -2258.798054 88.478830 BFGS: 7859 10:45:44 -2258.795507 88.415475 BFGS: 7860 10:45:44 -2258.792956 88.372354 BFGS: 7861 10:45:44 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-2258.610951 94.673074 BFGS: 7931 10:45:45 -2258.611409 91.218884 BFGS: 7932 10:45:45 -2258.608852 91.372733 BFGS: 7933 10:45:45 -2258.606287 91.593644 BFGS: 7934 10:45:45 -2258.603708 91.440241 BFGS: 7935 10:45:45 -2258.601127 91.396695 BFGS: 7936 10:45:45 -2258.598556 91.458729 BFGS: 7937 10:45:45 -2258.594407 94.171860 BFGS: 7938 10:45:45 -2258.593407 91.515227 BFGS: 7939 10:45:45 -2258.590847 91.664397 BFGS: 7940 10:45:45 -2258.588279 91.903438 BFGS: 7941 10:45:45 -2258.585698 91.721797 BFGS: 7942 10:45:45 -2258.583116 91.692246 BFGS: 7943 10:45:45 -2258.580551 91.829121 BFGS: 7944 10:45:45 -2258.577980 92.096870 BFGS: 7945 10:45:45 -2258.575397 91.869351 BFGS: 7946 10:45:46 -2258.572816 91.864280 BFGS: 7947 10:45:46 -2258.570253 92.229355 BFGS: 7948 10:45:46 -2258.567670 91.998362 BFGS: 7949 10:45:46 -2258.565088 91.989658 BFGS: 7950 10:45:46 -2258.562524 92.290994 BFGS: 7951 10:45:46 -2258.559941 92.141327 BFGS: 7952 10:45:46 -2258.557352 92.087185 BFGS: 7953 10:45:46 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-2258.495386 93.135423 BFGS: 7977 10:45:46 -2258.492806 93.351357 BFGS: 7978 10:45:46 -2258.490212 93.217075 BFGS: 7979 10:45:46 -2258.487613 93.158565 BFGS: 7980 10:45:46 -2258.485018 93.164064 BFGS: 7981 10:45:46 -2258.482439 93.733440 BFGS: 7982 10:45:46 -2258.479855 93.349372 BFGS: 7983 10:45:46 -2258.477265 93.379171 BFGS: 7984 10:45:46 -2258.472759 96.214695 BFGS: 7985 10:45:46 -2258.472079 93.395578 BFGS: 7986 10:45:46 -2258.469502 93.542856 BFGS: 7987 10:45:46 -2258.466917 93.769580 BFGS: 7988 10:45:46 -2258.464319 93.604370 BFGS: 7989 10:45:46 -2258.461719 93.567866 BFGS: 7990 10:45:47 -2258.459134 93.668294 BFGS: 7991 10:45:47 -2258.456513 94.280893 BFGS: 7992 10:45:47 -2258.453946 93.713043 BFGS: 7993 10:45:47 -2258.451358 93.789602 BFGS: 7994 10:45:47 -2258.448697 94.532122 BFGS: 7995 10:45:47 -2258.446166 93.817804 BFGS: 7996 10:45:47 -2258.443579 93.913103 BFGS: 7997 10:45:47 -2258.440973 94.397922 BFGS: 7998 10:45:47 -2258.438387 93.951885 BFGS: 7999 10:45:47 -2258.435795 94.013531 BFGS: 8000 10:45:47 -2258.432917 95.259305 BFGS: 8001 10:45:47 -2258.430598 94.039915 BFGS: 8002 10:45:47 -2258.428012 94.165217 BFGS: 8003 10:45:47 -2258.425419 94.480897 BFGS: 8004 10:45:47 -2258.422816 94.216250 BFGS: 8005 10:45:47 -2258.420216 94.228608 BFGS: 8006 10:45:47 -2258.417563 94.989557 BFGS: 8007 10:45:47 -2258.415020 94.300114 BFGS: 8008 10:45:47 -2258.412428 94.390687 BFGS: 8009 10:45:47 -2258.409808 94.937447 BFGS: 8010 10:45:47 -2258.407227 94.424587 BFGS: 8011 10:45:47 -2258.404632 94.497368 BFGS: 8012 10:45:47 -2258.401936 95.334176 BFGS: 8013 10:45:47 -2258.399427 94.527895 BFGS: 8014 10:45:47 -2258.396834 94.631931 BFGS: 8015 10:45:47 -2258.394229 95.061705 BFGS: 8016 10:45:47 -2258.391630 94.674344 BFGS: 8017 10:45:47 -2258.389030 94.723466 BFGS: 8018 10:45:47 -2258.384470 97.608126 BFGS: 8019 10:45:47 -2258.383819 94.743089 BFGS: 8020 10:45:47 -2258.381230 94.893932 BFGS: 8021 10:45:47 -2258.378633 95.123362 BFGS: 8022 10:45:47 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-2258.255931 96.796557 BFGS: 8069 10:45:48 -2258.253318 97.011772 BFGS: 8070 10:45:48 -2258.250692 96.863337 BFGS: 8071 10:45:48 -2258.248063 96.813533 BFGS: 8072 10:45:48 -2258.245442 96.853212 BFGS: 8073 10:45:48 -2258.240255 100.194174 BFGS: 8074 10:45:48 -2258.240201 96.921035 BFGS: 8075 10:45:48 -2258.237594 97.073077 BFGS: 8076 10:45:48 -2258.234978 97.295231 BFGS: 8077 10:45:48 -2258.232350 97.134020 BFGS: 8078 10:45:49 -2258.229719 97.093601 BFGS: 8079 10:45:49 -2258.227101 97.180737 BFGS: 8080 10:45:49 -2258.224366 98.109426 BFGS: 8081 10:45:49 -2258.221854 97.222802 BFGS: 8082 10:45:49 -2258.219238 97.327895 BFGS: 8083 10:45:49 -2258.216611 97.735785 BFGS: 8084 10:45:49 -2258.213988 97.364990 BFGS: 8085 10:45:49 -2258.211364 97.408739 BFGS: 8086 10:45:49 -2258.202663 102.357716 BFGS: 8087 10:45:49 -2258.206108 97.424076 BFGS: 8088 10:45:49 -2258.203496 97.582371 BFGS: 8089 10:45:49 -2258.200877 97.792047 BFGS: 8090 10:45:49 -2258.198245 97.651482 BFGS: 8091 10:45:49 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-2258.133502 101.192719 BFGS: 8115 10:45:49 -2258.132489 98.523279 BFGS: 8116 10:45:49 -2258.129868 98.671902 BFGS: 8117 10:45:49 -2258.127239 98.904858 BFGS: 8118 10:45:49 -2258.124597 98.733316 BFGS: 8119 10:45:50 -2258.121954 98.698151 BFGS: 8120 10:45:50 -2258.119325 98.816842 BFGS: 8121 10:45:50 -2258.116680 99.281933 BFGS: 8122 10:45:50 -2258.114051 98.844823 BFGS: 8123 10:45:50 -2258.111417 98.904099 BFGS: 8124 10:45:50 -2258.108420 100.287304 BFGS: 8125 10:45:50 -2258.106137 98.922691 BFGS: 8126 10:45:50 -2258.103510 99.051359 BFGS: 8127 10:45:50 -2258.100876 99.346296 BFGS: 8128 10:45:50 -2258.098232 99.101887 BFGS: 8129 10:45:50 -2258.095590 99.104513 BFGS: 8130 10:45:50 -2258.092947 99.628848 BFGS: 8131 10:45:50 -2258.090314 99.200405 BFGS: 8132 10:45:50 -2258.087676 99.249351 BFGS: 8133 10:45:50 -2258.083374 101.964579 BFGS: 8134 10:45:50 -2258.082389 99.262073 BFGS: 8135 10:45:50 -2258.079762 99.410214 BFGS: 8136 10:45:50 -2258.077127 99.641659 BFGS: 8137 10:45:50 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10:45:51 -2258.013651 100.303290 BFGS: 8161 10:45:51 -2258.010992 100.870295 BFGS: 8162 10:45:51 -2258.008355 100.392095 BFGS: 8163 10:45:51 -2258.005709 100.451096 BFGS: 8164 10:45:51 -2258.002735 101.790307 BFGS: 8165 10:45:51 -2258.000403 100.468562 BFGS: 8166 10:45:51 -2257.997763 100.595399 BFGS: 8167 10:45:51 -2257.995117 100.896062 BFGS: 8168 10:45:51 -2257.992460 100.644718 BFGS: 8169 10:45:51 -2257.989806 100.649369 BFGS: 8170 10:45:51 -2257.987142 101.228244 BFGS: 8171 10:45:51 -2257.984504 100.736296 BFGS: 8172 10:45:51 -2257.981855 100.797758 BFGS: 8173 10:45:51 -2257.978961 101.990071 BFGS: 8174 10:45:51 -2257.976544 100.816325 BFGS: 8175 10:45:51 -2257.973901 100.938059 BFGS: 8176 10:45:51 -2257.971251 101.259569 BFGS: 8177 10:45:51 -2257.968592 100.985050 BFGS: 8178 10:45:51 -2257.965936 100.998665 BFGS: 8179 10:45:51 -2257.963191 101.884390 BFGS: 8180 10:45:51 -2257.960626 101.059118 BFGS: 8181 10:45:51 -2257.957978 101.159738 BFGS: 8182 10:45:51 -2257.955317 101.601051 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-2257.650780 105.604057 BFGS: 8297 10:45:54 -2257.648091 105.591993 BFGS: 8298 10:45:54 -2004.742813 8133.979826 BFGS: 8299 10:45:54 -2256.838775 315.638556 BFGS: 8300 10:45:54 -2256.984083 287.530410 BFGS: 8301 10:45:54 -2257.127256 254.052126 BFGS: 8302 10:45:54 -2257.173334 245.291394 BFGS: 8303 10:45:54 -2257.198585 243.444544 BFGS: 8304 10:45:54 -2257.206418 243.761044 BFGS: 8305 10:45:54 -2257.209726 244.629701 BFGS: 8306 10:45:54 -2257.210266 244.328572 BFGS: 8307 10:45:54 -2257.213519 243.472709 BFGS: 8308 10:45:54 -2257.217751 242.081776 BFGS: 8309 10:45:54 -2257.232518 236.775636 BFGS: 8310 10:45:54 -2257.265786 222.977930 BFGS: 8311 10:45:54 -2257.336974 190.267430 BFGS: 8312 10:45:54 -2257.449569 133.850148 BFGS: 8313 10:45:54 -2257.554291 85.579924 BFGS: 8314 10:45:54 -2257.595288 95.169120 BFGS: 8315 10:45:54 -2257.598983 104.490722 BFGS: 8316 10:45:54 -2257.596792 106.336178 BFGS: 8317 10:45:54 -2257.594127 106.384021 BFGS: 8318 10:45:54 -2257.591437 106.409873 BFGS: 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-2257.272576 102.890523 BFGS: 8433 10:45:57 -2257.269566 102.816040 BFGS: 8434 10:45:57 -2257.267750 104.059565 BFGS: 8435 10:45:57 -2257.266189 104.018315 BFGS: 8436 10:45:57 -2257.265854 105.045524 BFGS: 8437 10:45:57 -2257.265556 107.218758 BFGS: 8438 10:45:57 -2257.264259 109.304030 BFGS: 8439 10:45:57 -2257.261976 110.106826 BFGS: 8440 10:45:57 -2257.259305 110.081935 BFGS: 8441 10:45:57 -2257.256538 109.960696 BFGS: 8442 10:45:57 -2257.253744 109.916588 BFGS: 8443 10:45:57 -2257.250945 109.944570 BFGS: 8444 10:45:57 -2257.248143 109.924622 BFGS: 8445 10:45:58 -2257.245340 110.012475 BFGS: 8446 10:45:58 -2257.242533 109.964913 BFGS: 8447 10:45:58 -2257.239728 109.915454 BFGS: 8448 10:45:58 -2257.236922 109.867122 BFGS: 8449 10:45:58 -2257.234113 109.938350 BFGS: 8450 10:45:58 -2257.231295 109.861828 BFGS: 8451 10:45:58 -2257.228452 110.049035 BFGS: 8452 10:45:58 -2257.225652 109.859195 BFGS: 8453 10:45:58 -2257.222826 109.773267 BFGS: 8454 10:45:58 -2255.749360 250.529008 BFGS: 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108.848666 BFGS: 8478 10:45:58 -2257.147553 108.540034 BFGS: 8479 10:45:58 -2257.144640 108.558757 BFGS: 8480 10:45:58 -2254.567881 321.817451 BFGS: 8481 10:45:58 -2257.075811 126.151378 BFGS: 8482 10:45:58 -2257.116934 103.787770 BFGS: 8483 10:45:58 -2257.120909 110.081050 BFGS: 8484 10:45:58 -2257.118903 110.590997 BFGS: 8485 10:45:58 -2257.117418 111.801745 BFGS: 8486 10:45:58 -2257.115964 112.263045 BFGS: 8487 10:45:58 -2257.117260 112.735217 BFGS: 8488 10:45:59 -2257.117694 111.511102 BFGS: 8489 10:45:59 -2257.116420 109.514324 BFGS: 8490 10:45:59 -2257.113661 108.786283 BFGS: 8491 10:45:59 -2257.110764 108.600811 BFGS: 8492 10:45:59 -2257.107918 108.495157 BFGS: 8493 10:45:59 -2257.105095 108.400346 BFGS: 8494 10:45:59 -2257.091361 111.141947 BFGS: 8495 10:45:59 -2257.101627 108.568644 BFGS: 8496 10:45:59 -2257.099992 108.598070 BFGS: 8497 10:45:59 -2257.106897 113.067717 BFGS: 8498 10:45:59 -2257.105186 111.675245 BFGS: 8499 10:45:59 -2257.102518 111.370437 BFGS: 8500 10:45:59 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-2256.914120 112.471956 BFGS: 8569 10:46:00 -2256.911377 112.487592 BFGS: 8570 10:46:00 -2256.903689 116.711634 BFGS: 8571 10:46:00 -2256.905884 112.485911 BFGS: 8572 10:46:00 -2256.903152 112.614538 BFGS: 8573 10:46:00 -2256.900412 112.786624 BFGS: 8574 10:46:00 -2256.897663 112.648532 BFGS: 8575 10:46:01 -2256.894908 112.584950 BFGS: 8576 10:46:01 -2256.892159 112.553186 BFGS: 8577 10:46:01 -2256.889349 113.256150 BFGS: 8578 10:46:01 -2256.886675 112.673419 BFGS: 8579 10:46:01 -2256.883933 112.735877 BFGS: 8580 10:46:01 -2256.881170 113.195347 BFGS: 8581 10:46:01 -2256.878435 112.736513 BFGS: 8582 10:46:01 -2256.875691 112.787099 BFGS: 8583 10:46:01 -2256.872845 113.572135 BFGS: 8584 10:46:01 -2256.870190 112.786926 BFGS: 8585 10:46:01 -2256.867448 112.869039 BFGS: 8586 10:46:01 -2256.864698 113.212664 BFGS: 8587 10:46:01 -2256.861947 112.879953 BFGS: 8588 10:46:01 -2256.859198 112.902846 BFGS: 8589 10:46:01 -2256.826097 123.287350 BFGS: 8590 10:46:01 -2256.853690 112.887070 BFGS: 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-2256.724623 116.330741 BFGS: 8637 10:46:02 -2256.724039 113.859921 BFGS: 8638 10:46:02 -2256.721283 113.979240 BFGS: 8639 10:46:02 -2256.718521 114.196421 BFGS: 8640 10:46:02 -2256.715748 114.036143 BFGS: 8641 10:46:02 -2256.712973 113.995802 BFGS: 8642 10:46:02 -2256.710211 114.053875 BFGS: 8643 10:46:02 -2256.707440 114.420360 BFGS: 8644 10:46:02 -2256.704671 114.084633 BFGS: 8645 10:46:02 -2256.701903 114.112549 BFGS: 8646 10:46:02 -2256.694630 118.284159 BFGS: 8647 10:46:02 -2256.696357 114.106798 BFGS: 8648 10:46:02 -2256.693598 114.236579 BFGS: 8649 10:46:02 -2256.690832 114.411250 BFGS: 8650 10:46:02 -2256.688056 114.271001 BFGS: 8651 10:46:02 -2256.685276 114.208674 BFGS: 8652 10:46:02 -2256.682501 114.184477 BFGS: 8653 10:46:02 -2256.679554 115.125837 BFGS: 8654 10:46:02 -2256.676962 114.263365 BFGS: 8655 10:46:02 -2256.674196 114.352031 BFGS: 8656 10:46:02 -2256.671424 114.677984 BFGS: 8657 10:46:02 -2256.668648 114.375817 BFGS: 8658 10:46:02 -2256.665874 114.392630 BFGS: 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-2256.537950 115.384388 BFGS: 8705 10:46:04 -2256.535157 115.368105 BFGS: 8706 10:46:04 -2256.532373 115.714047 BFGS: 8707 10:46:04 -2256.529584 115.455877 BFGS: 8708 10:46:04 -2256.526794 115.467264 BFGS: 8709 10:46:04 -2256.523075 117.389250 BFGS: 8710 10:46:04 -2256.521209 115.459825 BFGS: 8711 10:46:04 -2256.518428 115.576304 BFGS: 8712 10:46:04 -2256.515642 115.777871 BFGS: 8713 10:46:04 -2256.512845 115.600520 BFGS: 8714 10:46:04 -2256.510048 115.563316 BFGS: 8715 10:46:04 -2256.507266 115.647227 BFGS: 8716 10:46:04 -2256.504477 115.810116 BFGS: 8717 10:46:04 -2256.501681 115.709623 BFGS: 8718 10:46:04 -2256.498819 115.701508 BFGS: 8719 10:46:04 -2256.496065 115.533970 BFGS: 8720 10:46:04 -2256.493249 115.456565 BFGS: 8721 10:46:04 -2256.490449 115.407448 BFGS: 8722 10:46:04 -2256.487547 116.014908 BFGS: 8723 10:46:04 -2256.484887 115.556391 BFGS: 8724 10:46:04 -2256.482099 115.607524 BFGS: 8725 10:46:04 -2256.478650 117.579931 BFGS: 8726 10:46:04 -2256.476532 115.795699 BFGS: 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116.188149 BFGS: 8750 10:46:05 -2256.409333 116.196265 BFGS: 8751 10:46:05 -2256.406342 117.518310 BFGS: 8752 10:46:05 -2256.403687 116.247616 BFGS: 8753 10:46:05 -2256.400855 116.292240 BFGS: 8754 10:46:05 -2256.398018 116.601288 BFGS: 8755 10:46:05 -2256.395177 116.321680 BFGS: 8756 10:46:05 -2256.392321 116.247635 BFGS: 8757 10:46:05 -2256.389469 116.376169 BFGS: 8758 10:46:05 -2256.386615 116.413149 BFGS: 8759 10:46:05 -2256.383682 117.532481 BFGS: 8760 10:46:05 -2256.380929 116.558196 BFGS: 8761 10:46:05 -2256.378082 116.571291 BFGS: 8762 10:46:05 -2256.374651 118.636242 BFGS: 8763 10:46:05 -2256.372402 116.718291 BFGS: 8764 10:46:05 -2256.369546 116.776305 BFGS: 8765 10:46:05 -2256.366687 117.148889 BFGS: 8766 10:46:05 -2256.363829 116.851854 BFGS: 8767 10:46:05 -2256.360966 116.794286 BFGS: 8768 10:46:05 -2256.358480 117.087437 BFGS: 8769 10:46:05 -2256.356032 117.766050 BFGS: 8770 10:46:05 -2256.353256 117.519534 BFGS: 8771 10:46:05 -2256.350468 117.332143 BFGS: 8772 10:46:05 -2256.347672 117.280066 BFGS: 8773 10:46:05 -2256.344601 117.564077 BFGS: 8774 10:46:05 -2256.342073 117.199493 BFGS: 8775 10:46:05 -2256.339277 117.184623 BFGS: 8776 10:46:05 -2256.336475 117.221436 BFGS: 8777 10:46:05 -2256.333664 117.071400 BFGS: 8778 10:46:05 -2256.330852 117.005688 BFGS: 8779 10:46:05 -2256.328009 116.977439 BFGS: 8780 10:46:05 -2256.325225 116.872524 BFGS: 8781 10:46:05 -2256.322412 116.835204 BFGS: 8782 10:46:05 -2256.319476 117.248548 BFGS: 8783 10:46:05 -2256.316776 116.775621 BFGS: 8784 10:46:05 -2256.313963 116.782315 BFGS: 8785 10:46:05 -2256.311141 116.972325 BFGS: 8786 10:46:05 -2256.308323 116.739509 BFGS: 8787 10:46:05 -2256.305501 116.714631 BFGS: 8788 10:46:05 -2256.302174 117.757670 BFGS: 8789 10:46:05 -2256.299867 116.713412 BFGS: 8790 10:46:06 -2256.297058 116.773643 BFGS: 8791 10:46:06 -2256.294247 117.096940 BFGS: 8792 10:46:06 -2256.291436 116.857884 BFGS: 8793 10:46:06 -2256.288620 116.848071 BFGS: 8794 10:46:06 -2256.285853 117.376027 BFGS: 8795 10:46:06 -2256.283054 117.314641 BFGS: 8796 10:46:06 -2256.280116 118.175061 BFGS: 8797 10:46:06 -2256.277437 117.378611 BFGS: 8798 10:46:06 -2256.274619 117.398225 BFGS: 8799 10:46:06 -2256.105514 146.554304 BFGS: 8800 10:46:06 -2256.268972 117.388190 BFGS: 8801 10:46:06 -2256.266160 117.517712 BFGS: 8802 10:46:06 -2256.263345 117.790284 BFGS: 8803 10:46:06 -2256.260524 117.615633 BFGS: 8804 10:46:06 -2256.257713 117.453551 BFGS: 8805 10:46:06 -2256.254905 117.396413 BFGS: 8806 10:46:06 -2256.252087 117.411572 BFGS: 8807 10:46:06 -2256.249131 118.510211 BFGS: 8808 10:46:06 -2256.246467 117.614237 BFGS: 8809 10:46:06 -2256.243657 117.674715 BFGS: 8810 10:46:06 -2256.240840 117.999247 BFGS: 8811 10:46:06 -2256.238020 117.686822 BFGS: 8812 10:46:06 -2256.235201 117.703669 BFGS: 8813 10:46:06 -2256.227100 122.200273 BFGS: 8814 10:46:06 -2256.229559 117.698768 BFGS: 8815 10:46:06 -2256.226752 117.827776 BFGS: 8816 10:46:06 -2256.223937 117.998922 BFGS: 8817 10:46:06 -2256.221113 117.861342 BFGS: 8818 10:46:06 -2256.218285 117.796842 BFGS: 8819 10:46:06 -2256.215461 117.765071 BFGS: 8820 10:46:06 -2256.212611 118.288007 BFGS: 8821 10:46:06 -2256.209829 117.901778 BFGS: 8822 10:46:06 -2256.207012 117.946763 BFGS: 8823 10:46:06 -2256.204127 118.647500 BFGS: 8824 10:46:06 -2256.201366 117.934305 BFGS: 8825 10:46:06 -2256.198550 118.013411 BFGS: 8826 10:46:06 -2256.195723 118.403975 BFGS: 8827 10:46:06 -2256.192904 118.024009 BFGS: 8828 10:46:06 -2256.190083 118.057825 BFGS: 8829 10:46:06 -2256.186644 119.751942 BFGS: 8830 10:46:06 -2256.184433 118.049169 BFGS: 8831 10:46:06 -2256.181619 118.160561 BFGS: 8832 10:46:06 -2256.178800 118.376497 BFGS: 8833 10:46:07 -2256.175971 118.183717 BFGS: 8834 10:46:07 -2256.173143 118.154103 BFGS: 8835 10:46:07 -2256.170329 118.297839 BFGS: 8836 10:46:07 -2256.167505 118.314789 BFGS: 8837 10:46:07 -2256.162107 121.943750 BFGS: 8838 10:46:07 -2256.161838 118.203145 BFGS: 8839 10:46:07 -2256.159017 118.325095 BFGS: 8840 10:46:07 -2256.156195 118.652598 BFGS: 8841 10:46:07 -2256.153367 118.401413 BFGS: 8842 10:46:07 -2256.150538 118.335453 BFGS: 8843 10:46:07 -2256.140044 119.174073 BFGS: 8844 10:46:07 -2256.142104 119.625874 BFGS: 8845 10:46:07 -2256.141984 119.352411 BFGS: 8846 10:46:07 -2256.139222 119.086411 BFGS: 8847 10:46:07 -2256.136415 118.882149 BFGS: 8848 10:46:07 -2256.133597 118.663694 BFGS: 8849 10:46:07 -2256.130770 118.580225 BFGS: 8850 10:46:07 -2256.127934 118.676514 BFGS: 8851 10:46:07 -2256.125094 118.480244 BFGS: 8852 10:46:07 -2256.122246 118.397810 BFGS: 8853 10:46:07 -2256.119399 118.406734 BFGS: 8854 10:46:07 -2256.116552 118.473887 BFGS: 8855 10:46:07 -2256.113697 118.295524 BFGS: 8856 10:46:07 -2256.110830 118.030370 BFGS: 8857 10:46:07 -2256.107964 118.045504 BFGS: 8858 10:46:07 -2256.105089 118.001098 BFGS: 8859 10:46:07 -2256.099626 121.247686 BFGS: 8860 10:46:07 -2256.094642 114.714311 BFGS: 8861 10:46:07 -2256.095823 117.874815 BFGS: 8862 10:46:07 -2256.093118 118.131112 BFGS: 8863 10:46:07 -2256.090451 118.322711 BFGS: 8864 10:46:07 -2256.087692 118.163454 BFGS: 8865 10:46:07 -2256.084828 117.829387 BFGS: 8866 10:46:07 -2256.081919 117.609249 BFGS: 8867 10:46:07 -2256.079001 117.457525 BFGS: 8868 10:46:07 -2256.076079 117.391993 BFGS: 8869 10:46:07 -2256.073140 117.541304 BFGS: 8870 10:46:07 -2256.070217 117.319233 BFGS: 8871 10:46:07 -2256.067281 117.284660 BFGS: 8872 10:46:07 -2256.064283 117.573521 BFGS: 8873 10:46:07 -2256.061390 117.176955 BFGS: 8874 10:46:07 -2256.058441 117.143511 BFGS: 8875 10:46:07 -2256.055484 117.225626 BFGS: 8876 10:46:08 -2256.052525 117.033342 BFGS: 8877 10:46:08 -2256.049559 116.976837 BFGS: 8878 10:46:08 -2256.043632 118.896480 BFGS: 8879 10:46:08 -2256.043613 116.859873 BFGS: 8880 10:46:08 -2256.040639 116.843627 BFGS: 8881 10:46:08 -2256.037658 116.855259 BFGS: 8882 10:46:08 -2256.034669 116.744836 BFGS: 8883 10:46:08 -2256.031674 116.652159 BFGS: 8884 10:46:08 -2256.028957 116.663281 BFGS: 8885 10:46:08 -2256.027587 117.435060 BFGS: 8886 10:46:08 -2256.024914 117.558665 BFGS: 8887 10:46:08 -2256.022059 117.720343 BFGS: 8888 10:46:08 -2256.019129 117.657314 BFGS: 8889 10:46:08 -2256.016832 117.972964 BFGS: 8890 10:46:08 -2256.014372 118.678878 BFGS: 8891 10:46:08 -2256.011562 118.897251 BFGS: 8892 10:46:08 -2256.008776 119.672795 BFGS: 8893 10:46:08 -2256.005950 119.370111 BFGS: 8894 10:46:08 -2256.003109 119.331616 BFGS: 8895 10:46:08 -2256.000267 119.436798 BFGS: 8896 10:46:08 -2255.997420 119.370375 BFGS: 8897 10:46:08 -2255.993188 120.860232 BFGS: 8898 10:46:08 -2255.991713 119.288624 BFGS: 8899 10:46:08 -2255.988862 119.309588 BFGS: 8900 10:46:08 -2255.985940 120.022036 BFGS: 8901 10:46:08 -2255.983166 119.365955 BFGS: 8902 10:46:08 -2255.980322 119.412197 BFGS: 8903 10:46:08 -2255.977274 120.549033 BFGS: 8904 10:46:08 -2255.974635 119.478388 BFGS: 8905 10:46:08 -2255.971794 119.558545 BFGS: 8906 10:46:08 -2255.968947 119.847272 BFGS: 8907 10:46:08 -2255.966094 119.564258 BFGS: 8908 10:46:08 -2255.963243 119.569100 BFGS: 8909 10:46:08 -2255.959901 121.065823 BFGS: 8910 10:46:08 -2255.957538 119.568685 BFGS: 8911 10:46:08 -2255.954696 119.671762 BFGS: 8912 10:46:08 -2255.951849 119.895153 BFGS: 8913 10:46:08 -2255.948992 119.690992 BFGS: 8914 10:46:08 -2255.946136 119.665939 BFGS: 8915 10:46:08 -2255.943295 119.898676 BFGS: 8916 10:46:08 -2255.940438 119.766089 BFGS: 8917 10:46:08 -2255.937578 119.713745 BFGS: 8918 10:46:08 -2255.934722 119.673197 BFGS: 8919 10:46:09 -2255.915001 124.793522 BFGS: 8920 10:46:09 -2255.929010 119.640259 BFGS: 8921 10:46:09 -2255.926166 119.728545 BFGS: 8922 10:46:09 -2255.923320 119.967324 BFGS: 8923 10:46:09 -2255.920463 119.828959 BFGS: 8924 10:46:09 -2255.917604 119.823954 BFGS: 8925 10:46:09 -2255.777624 200.470891 BFGS: 8926 10:46:09 -2255.909489 119.476142 BFGS: 8927 10:46:09 -2255.908567 120.792762 BFGS: 8928 10:46:09 -2255.905816 120.669271 BFGS: 8929 10:46:09 -2255.903101 120.624525 BFGS: 8930 10:46:09 -2255.900368 120.387410 BFGS: 8931 10:46:09 -2255.897603 120.169109 BFGS: 8932 10:46:09 -2255.894767 120.077158 BFGS: 8933 10:46:09 -2255.891907 120.068871 BFGS: 8934 10:46:09 -2255.889035 120.398210 BFGS: 8935 10:46:09 -2255.886177 120.061779 BFGS: 8936 10:46:09 -2255.883313 120.024343 BFGS: 8937 10:46:09 -2255.880458 120.511275 BFGS: 8938 10:46:09 -2255.877613 120.168089 BFGS: 8939 10:46:09 -2255.874754 120.197492 BFGS: 8940 10:46:09 -2255.869789 123.125963 BFGS: 8941 10:46:09 -2255.869027 120.166933 BFGS: 8942 10:46:09 -2255.866176 120.283747 BFGS: 8943 10:46:09 -2255.863319 120.461676 BFGS: 8944 10:46:09 -2255.860453 120.310446 BFGS: 8945 10:46:09 -2255.857584 120.254619 BFGS: 8946 10:46:09 -2255.854723 120.248768 BFGS: 8947 10:46:09 -2255.851526 121.438557 BFGS: 8948 10:46:09 -2255.848997 120.286712 BFGS: 8949 10:46:09 -2255.846143 120.388633 BFGS: 8950 10:46:09 -2255.843283 120.659951 BFGS: 8951 10:46:09 -2255.840415 120.419548 BFGS: 8952 10:46:09 -2255.837549 120.411760 BFGS: 8953 10:46:09 -2255.834668 120.930679 BFGS: 8954 10:46:09 -2255.831821 120.453040 BFGS: 8955 10:46:09 -2255.828960 120.499066 BFGS: 8956 10:46:09 -2255.826009 121.259588 BFGS: 8957 10:46:09 -2255.823226 120.492038 BFGS: 8958 10:46:09 -2255.820366 120.570684 BFGS: 8959 10:46:09 -2255.817499 120.914374 BFGS: 8960 10:46:09 -2255.814633 120.578899 BFGS: 8961 10:46:10 -2255.811767 120.600433 BFGS: 8962 10:46:10 -2255.793901 128.223300 BFGS: 8963 10:46:10 -2255.806027 120.581862 BFGS: 8964 10:46:10 -2255.803171 120.709987 BFGS: 8965 10:46:10 -2255.800309 120.871670 BFGS: 8966 10:46:10 -2255.797437 120.744174 BFGS: 8967 10:46:10 -2255.794560 120.670152 BFGS: 8968 10:46:10 -2255.791683 120.612843 BFGS: 8969 10:46:10 -2255.788831 120.771834 BFGS: 8970 10:46:10 -2255.785965 120.829703 BFGS: 8971 10:46:10 -2255.782991 121.678758 BFGS: 8972 10:46:10 -2255.780216 120.763904 BFGS: 8973 10:46:10 -2255.777353 120.862096 BFGS: 8974 10:46:10 -2255.774484 121.173102 BFGS: 8975 10:46:10 -2255.771610 120.873380 BFGS: 8976 10:46:10 -2255.768738 120.880845 BFGS: 8977 10:46:10 -2255.765189 122.652852 BFGS: 8978 10:46:10 -2255.762992 120.877060 BFGS: 8979 10:46:10 -2255.760129 120.984160 BFGS: 8980 10:46:10 -2255.757261 121.188517 BFGS: 8981 10:46:10 -2255.754384 121.001545 BFGS: 8982 10:46:10 -2255.751506 120.968069 BFGS: 8983 10:46:10 -2255.748644 121.110073 BFGS: 8984 10:46:10 -2255.745771 121.126502 BFGS: 8985 10:46:10 -2255.742889 121.360129 BFGS: 8986 10:46:10 -2255.740015 121.058205 BFGS: 8987 10:46:10 -2255.737143 121.095314 BFGS: 8988 10:46:10 -2255.734106 122.093237 BFGS: 8989 10:46:10 -2255.731391 121.080928 BFGS: 8990 10:46:10 -2255.728523 121.184250 BFGS: 8991 10:46:10 -2255.725648 121.452738 BFGS: 8992 10:46:10 -2255.722771 121.201683 BFGS: 8993 10:46:10 -2255.719895 121.213891 BFGS: 8994 10:46:10 -2255.714385 124.445403 BFGS: 8995 10:46:10 -2255.714137 121.183974 BFGS: 8996 10:46:10 -2255.711271 121.319344 BFGS: 8997 10:46:10 -2255.708398 121.468125 BFGS: 8998 10:46:10 -2255.705517 121.345963 BFGS: 8999 10:46:10 -2255.702633 121.313727 BFGS: 9000 10:46:10 -2255.699759 121.276040 BFGS: 9001 10:46:10 -2255.696732 122.113120 BFGS: 9002 10:46:10 -2255.694000 121.309094 BFGS: 9003 10:46:10 -2255.691128 121.400732 BFGS: 9004 10:46:11 -2255.688251 121.710592 BFGS: 9005 10:46:11 -2255.685368 121.429562 BFGS: 9006 10:46:11 -2255.682488 121.437663 BFGS: 9007 10:46:11 -2255.679169 122.937016 BFGS: 9008 10:46:11 -2255.676726 121.446350 BFGS: 9009 10:46:11 -2255.673854 121.549330 BFGS: 9010 10:46:11 -2255.670978 121.771683 BFGS: 9011 10:46:11 -2255.668092 121.562358 BFGS: 9012 10:46:11 -2255.665207 121.539222 BFGS: 9013 10:46:11 -2255.662336 121.779101 BFGS: 9014 10:46:11 -2255.659451 121.635407 BFGS: 9015 10:46:11 -2255.656564 121.603947 BFGS: 9016 10:46:11 -2255.653690 121.667034 BFGS: 9017 10:46:11 -2255.650810 121.846942 BFGS: 9018 10:46:11 -2255.647923 121.696848 BFGS: 9019 10:46:11 -2255.645035 121.671229 BFGS: 9020 10:46:11 -2255.641975 122.374184 BFGS: 9021 10:46:11 -2255.639242 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-2255.572342 121.072899 BFGS: 9045 10:46:11 -2255.569390 120.971781 BFGS: 9046 10:46:11 -2255.566442 120.962569 BFGS: 9047 10:46:12 -2255.563493 121.055990 BFGS: 9048 10:46:12 -2255.560536 120.877665 BFGS: 9049 10:46:12 -2255.557402 120.006171 BFGS: 9050 10:46:12 -2255.554606 120.649585 BFGS: 9051 10:46:12 -2255.551639 120.529695 BFGS: 9052 10:46:12 -2255.548255 120.482912 BFGS: 9053 10:46:12 -2255.545701 120.407488 BFGS: 9054 10:46:12 -2255.542733 120.384703 BFGS: 9055 10:46:12 -2255.539760 120.551317 BFGS: 9056 10:46:12 -2255.536784 120.398837 BFGS: 9057 10:46:12 -2255.533802 120.380894 BFGS: 9058 10:46:12 -2255.530764 121.008557 BFGS: 9059 10:46:12 -2255.527832 120.373452 BFGS: 9060 10:46:12 -2255.524846 120.367465 BFGS: 9061 10:46:12 -2255.521849 120.532357 BFGS: 9062 10:46:12 -2255.518859 120.281640 BFGS: 9063 10:46:12 -2255.515862 120.245547 BFGS: 9064 10:46:12 -2255.512362 121.108479 BFGS: 9065 10:46:12 -2255.509857 120.146740 BFGS: 9066 10:46:12 -2255.506858 120.149833 BFGS: 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-2254.440809 117.384093 BFGS: 9385 10:46:19 -2254.437165 117.428016 BFGS: 9386 10:46:19 -2254.433550 116.957578 BFGS: 9387 10:46:19 -2254.429914 117.404730 BFGS: 9388 10:46:19 -2254.426271 117.417192 BFGS: 9389 10:46:19 -2254.421253 114.863286 BFGS: 9390 10:46:20 -2254.418975 117.551881 BFGS: 9391 10:46:20 -2254.415335 117.518520 BFGS: 9392 10:46:20 -2254.411689 117.432380 BFGS: 9393 10:46:20 -2254.408036 117.633997 BFGS: 9394 10:46:20 -2254.404380 117.729156 BFGS: 9395 10:46:20 -2254.400733 117.681327 BFGS: 9396 10:46:20 -2254.397081 117.612556 BFGS: 9397 10:46:20 -2254.393422 117.812152 BFGS: 9398 10:46:20 -2254.389760 117.917966 BFGS: 9399 10:46:20 -2254.386104 117.898299 BFGS: 9400 10:46:20 -2254.382430 117.546633 BFGS: 9401 10:46:20 -2254.378782 118.030729 BFGS: 9402 10:46:20 -2254.375122 118.057203 BFGS: 9403 10:46:20 -2254.371420 117.630273 BFGS: 9404 10:46:20 -2254.367790 118.187394 BFGS: 9405 10:46:20 -2254.364127 118.195171 BFGS: 9406 10:46:20 -2254.360453 117.952278 BFGS: 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126.030265 BFGS: 9702 10:46:27 -2253.237923 125.702773 BFGS: 9703 10:46:27 -2253.234050 126.087592 BFGS: 9704 10:46:27 -2253.230174 126.084524 BFGS: 9705 10:46:27 -2253.226093 125.018692 BFGS: 9706 10:46:27 -2253.222416 126.151392 BFGS: 9707 10:46:27 -2253.218543 126.092103 BFGS: 9708 10:46:27 -2253.214667 125.902774 BFGS: 9709 10:46:27 -2253.210784 126.136722 BFGS: 9710 10:46:27 -2253.206902 126.177525 BFGS: 9711 10:46:27 -2253.203020 125.807679 BFGS: 9712 10:46:27 -2253.199143 126.186065 BFGS: 9713 10:46:27 -2253.195262 126.191875 BFGS: 9714 10:46:27 -2253.189736 123.438233 BFGS: 9715 10:46:27 -2253.187495 126.265722 BFGS: 9716 10:46:27 -2253.183620 126.185871 BFGS: 9717 10:46:27 -2253.179741 126.054529 BFGS: 9718 10:46:27 -2253.175854 126.218095 BFGS: 9719 10:46:27 -2253.171966 126.296387 BFGS: 9720 10:46:27 -2253.168083 126.278461 BFGS: 9721 10:46:27 -2253.163780 124.696865 BFGS: 9722 10:46:27 -2253.160312 126.324083 BFGS: 9723 10:46:27 -2253.156434 126.257726 BFGS: 9724 10:46:27 -2253.152551 126.082634 BFGS: 9725 10:46:27 -2253.148662 126.301321 BFGS: 9726 10:46:27 -2253.144773 126.351198 BFGS: 9727 10:46:27 -2253.140894 126.138919 BFGS: 9728 10:46:27 -2253.137004 126.319596 BFGS: 9729 10:46:27 -2253.133112 126.388803 BFGS: 9730 10:46:27 -2253.129228 126.343323 BFGS: 9731 10:46:27 -2253.125335 126.005701 BFGS: 9732 10:46:28 -2253.121450 126.392849 BFGS: 9733 10:46:28 -2253.117562 126.392450 BFGS: 9734 10:46:28 -2253.113262 124.938925 BFGS: 9735 10:46:28 -2253.109780 126.459906 BFGS: 9736 10:46:28 -2253.105897 126.390959 BFGS: 9737 10:46:28 -2253.102009 126.226275 BFGS: 9738 10:46:28 -2253.098115 126.427234 BFGS: 9739 10:46:28 -2253.094221 126.481064 BFGS: 9740 10:46:28 -2253.090337 126.326173 BFGS: 9741 10:46:28 -2253.086444 126.397897 BFGS: 9742 10:46:28 -2253.082551 126.443308 BFGS: 9743 10:46:28 -2253.078663 126.326399 BFGS: 9744 10:46:28 -2253.074768 126.425470 BFGS: 9745 10:46:28 -2253.070495 126.302623 BFGS: 9746 10:46:28 -2253.066973 126.511497 BFGS: 9747 10:46:28 -2253.063071 126.630420 BFGS: 9748 10:46:28 -2253.059167 126.703918 BFGS: 9749 10:46:28 -2253.055258 126.784254 BFGS: 9750 10:46:28 -2253.051344 126.828068 BFGS: 9751 10:46:28 -2253.047426 126.975464 BFGS: 9752 10:46:28 -2253.043503 127.078086 BFGS: 9753 10:46:28 -2253.039581 127.199552 BFGS: 9754 10:46:28 -2253.035652 127.274519 BFGS: 9755 10:46:28 -2253.031720 127.302534 BFGS: 9756 10:46:28 -2253.027773 126.987059 BFGS: 9757 10:46:28 -2253.023846 127.401292 BFGS: 9758 10:46:28 -2253.019905 127.475950 BFGS: 9759 10:46:28 -2252.971135 119.080848 BFGS: 9760 10:46:28 -2253.012017 127.653433 BFGS: 9761 10:46:28 -2253.008070 127.713100 BFGS: 9762 10:46:28 -2253.004119 127.744898 BFGS: 9763 10:46:28 -2253.000161 127.866218 BFGS: 9764 10:46:28 -2252.996210 127.974364 BFGS: 9765 10:46:28 -2252.992449 127.849492 BFGS: 9766 10:46:28 -2252.988524 127.951259 BFGS: 9767 10:46:28 -2252.984759 127.553321 BFGS: 9768 10:46:28 -2252.980917 127.552020 BFGS: 9769 10:46:28 -2252.977219 126.700945 BFGS: 9770 10:46:28 -2252.973338 126.727954 BFGS: 9771 10:46:28 -2252.969445 126.481841 BFGS: 9772 10:46:28 -2252.965542 126.770535 BFGS: 9773 10:46:28 -2252.961636 126.792783 BFGS: 9774 10:46:28 -2252.956335 124.241225 BFGS: 9775 10:46:28 -2252.953820 126.852831 BFGS: 9776 10:46:28 -2252.949920 126.766030 BFGS: 9777 10:46:29 -2252.946017 126.622135 BFGS: 9778 10:46:29 -2252.942106 126.787193 BFGS: 9779 10:46:29 -2252.938193 126.859350 BFGS: 9780 10:46:29 -2252.934287 126.832591 BFGS: 9781 10:46:29 -2252.930287 125.945051 BFGS: 9782 10:46:29 -2252.926470 126.856635 BFGS: 9783 10:46:29 -2252.922566 126.804144 BFGS: 9784 10:46:29 -2252.918657 126.542922 BFGS: 9785 10:46:29 -2252.914746 126.851853 BFGS: 9786 10:46:29 -2252.910837 126.863411 BFGS: 9787 10:46:29 -2252.902266 122.250517 BFGS: 9788 10:46:29 -2252.903013 126.922463 BFGS: 9789 10:46:29 -2252.899111 126.829570 BFGS: 9790 10:46:29 -2252.895203 126.698437 BFGS: 9791 10:46:29 -2252.891289 126.845197 BFGS: 9792 10:46:29 -2252.887373 126.929199 BFGS: 9793 10:46:29 -2252.883458 126.954233 BFGS: 9794 10:46:29 -2252.879541 126.416170 BFGS: 9795 10:46:29 -2252.875642 126.890645 BFGS: 9796 10:46:29 -2252.871731 126.884072 BFGS: 9797 10:46:29 -2252.867558 125.677356 BFGS: 9798 10:46:29 -2252.863903 126.950546 BFGS: 9799 10:46:29 -2252.859996 126.880158 BFGS: 9800 10:46:29 -2252.856086 126.689152 BFGS: 9801 10:46:29 -2252.852169 126.908138 BFGS: 9802 10:46:29 -2252.848253 126.947954 BFGS: 9803 10:46:29 -2252.844345 126.671803 BFGS: 9804 10:46:29 -2252.840429 126.914334 BFGS: 9805 10:46:29 -2252.836513 126.948391 BFGS: 9806 10:46:29 -2252.832598 126.595771 BFGS: 9807 10:46:29 -2252.828686 126.941655 BFGS: 9808 10:46:29 -2252.824771 126.943133 BFGS: 9809 10:46:29 -2252.802892 117.830330 BFGS: 9810 10:46:29 -2252.816937 127.007283 BFGS: 9811 10:46:29 -2252.813030 126.908083 BFGS: 9812 10:46:29 -2252.809117 126.778343 BFGS: 9813 10:46:29 -2252.805199 126.918259 BFGS: 9814 10:46:29 -2252.801276 127.006028 BFGS: 9815 10:46:29 -2252.797355 127.044639 BFGS: 9816 10:46:29 -2252.793452 126.804471 BFGS: 9817 10:46:29 -2252.789536 126.881494 BFGS: 9818 10:46:29 -2252.785407 126.307500 BFGS: 9819 10:46:29 -2252.781693 127.049737 BFGS: 9820 10:46:29 -2252.777778 127.034811 BFGS: 9821 10:46:29 -2252.773855 126.682100 BFGS: 9822 10:46:30 -2252.769945 127.028588 BFGS: 9823 10:46:30 -2252.766028 127.024537 BFGS: 9824 10:46:30 -2252.752984 120.316888 BFGS: 9825 10:46:30 -2252.758191 127.049611 BFGS: 9826 10:46:30 -2252.754281 126.942909 BFGS: 9827 10:46:30 -2252.750366 126.804935 BFGS: 9828 10:46:30 -2252.746444 126.946543 BFGS: 9829 10:46:30 -2252.742519 127.032578 BFGS: 9830 10:46:30 -2252.738596 127.071927 BFGS: 9831 10:46:30 -2252.734690 126.776245 BFGS: 9832 10:46:30 -2252.730769 126.931941 BFGS: 9833 10:46:30 -2252.726843 127.075322 BFGS: 9834 10:46:30 -2252.722919 127.129346 BFGS: 9835 10:46:30 -2252.718956 126.536541 BFGS: 9836 10:46:30 -2252.715073 127.091480 BFGS: 9837 10:46:30 -2252.711151 127.111492 BFGS: 9838 10:46:30 -2252.706939 125.619296 BFGS: 9839 10:46:30 -2252.703329 127.025326 BFGS: 9840 10:46:30 -2252.699415 126.962632 BFGS: 9841 10:46:30 -2252.695496 126.747406 BFGS: 9842 10:46:30 -2252.691573 126.989556 BFGS: 9843 10:46:30 -2252.687650 127.014835 BFGS: 9844 10:46:30 -2252.683711 126.484025 BFGS: 9845 10:46:30 -2252.679809 127.018470 BFGS: 9846 10:46:30 -2252.675891 126.986837 BFGS: 9847 10:46:30 -2252.671939 126.431670 BFGS: 9848 10:46:30 -2252.668046 127.024623 BFGS: 9849 10:46:30 -2252.664129 126.979083 BFGS: 9850 10:46:30 -2252.660198 126.577568 BFGS: 9851 10:46:30 -2252.656284 127.011393 BFGS: 9852 10:46:30 -2252.652364 126.987197 BFGS: 9853 10:46:30 -2252.648361 126.200857 BFGS: 9854 10:46:30 -2252.644518 127.027869 BFGS: 9855 10:46:30 -2252.640601 126.965598 BFGS: 9856 10:46:30 -2252.636679 126.688454 BFGS: 9857 10:46:30 -2252.632755 126.991487 BFGS: 9858 10:46:30 -2252.628833 126.996239 BFGS: 9859 10:46:30 -2252.622965 123.841102 BFGS: 9860 10:46:30 -2252.620985 127.039472 BFGS: 9861 10:46:30 -2252.617070 126.941931 BFGS: 9862 10:46:30 -2252.613151 126.791878 BFGS: 9863 10:46:30 -2252.609225 126.948764 BFGS: 9864 10:46:30 -2252.605297 127.019502 BFGS: 9865 10:46:31 -2252.601374 126.998178 BFGS: 9866 10:46:31 -2252.596731 124.900847 BFGS: 9867 10:46:31 -2252.593527 127.016670 BFGS: 9868 10:46:31 -2252.589611 126.928285 BFGS: 9869 10:46:31 -2252.585692 126.739976 BFGS: 9870 10:46:31 -2252.581765 126.942274 BFGS: 9871 10:46:31 -2252.577839 126.989820 BFGS: 9872 10:46:31 -2252.573923 126.839246 BFGS: 9873 10:46:31 -2252.569999 126.885966 BFGS: 9874 10:46:31 -2252.566076 126.875329 BFGS: 9875 10:46:31 -2252.560549 124.047780 BFGS: 9876 10:46:31 -2252.558221 127.004913 BFGS: 9877 10:46:31 -2252.554306 126.903640 BFGS: 9878 10:46:31 -2252.550385 126.754261 BFGS: 9879 10:46:31 -2252.546459 126.909654 BFGS: 9880 10:46:31 -2252.542530 126.980948 BFGS: 9881 10:46:31 -2252.538606 126.969621 BFGS: 9882 10:46:31 -2252.531540 122.776710 BFGS: 9883 10:46:31 -2252.530757 126.978335 BFGS: 9884 10:46:31 -2252.526841 126.873153 BFGS: 9885 10:46:31 -2252.522921 126.703760 BFGS: 9886 10:46:31 -2252.518995 126.876434 BFGS: 9887 10:46:31 -2252.515066 126.946961 BFGS: 9888 10:46:31 -2252.511144 126.925192 BFGS: 9889 10:46:31 -2252.507125 126.071602 BFGS: 9890 10:46:31 -2252.503296 126.941899 BFGS: 9891 10:46:31 -2252.499377 126.876225 BFGS: 9892 10:46:31 -2252.495454 126.593677 BFGS: 9893 10:46:31 -2252.491528 126.896571 BFGS: 9894 10:46:31 -2252.487604 126.899342 BFGS: 9895 10:46:31 -2252.481983 123.934925 BFGS: 9896 10:46:31 -2252.479753 126.937288 BFGS: 9897 10:46:31 -2252.475837 126.836645 BFGS: 9898 10:46:31 -2252.471916 126.679627 BFGS: 9899 10:46:31 -2252.467989 126.838349 BFGS: 9900 10:46:31 -2252.464060 126.905359 BFGS: 9901 10:46:31 -2252.460137 126.881806 BFGS: 9902 10:46:31 -2252.455966 125.580156 BFGS: 9903 10:46:31 -2252.452288 126.892623 BFGS: 9904 10:46:31 -2252.448370 126.811948 BFGS: 9905 10:46:31 -2252.444449 126.575205 BFGS: 9906 10:46:31 -2252.440522 126.823312 BFGS: 9907 10:46:31 -2252.436597 126.847050 BFGS: 9908 10:46:31 -2252.432660 126.373854 BFGS: 9909 10:46:32 -2252.428750 126.841405 BFGS: 9910 10:46:32 -2252.424829 126.810261 BFGS: 9911 10:46:32 -2252.420848 126.106436 BFGS: 9912 10:46:32 -2252.416978 126.840257 BFGS: 9913 10:46:32 -2252.413059 126.778159 BFGS: 9914 10:46:32 -2252.409134 126.453650 BFGS: 9915 10:46:32 -2252.405211 126.797750 BFGS: 9916 10:46:32 -2252.401288 126.787479 BFGS: 9917 10:46:32 -2252.394354 122.851831 BFGS: 9918 10:46:32 -2252.393437 126.828723 BFGS: 9919 10:46:32 -2252.389521 126.722015 BFGS: 9920 10:46:32 -2252.385601 126.570420 BFGS: 9921 10:46:32 -2252.381674 126.719110 BFGS: 9922 10:46:32 -2252.377746 126.791946 BFGS: 9923 10:46:32 -2252.373821 126.797437 BFGS: 9924 10:46:32 -2252.369556 125.267351 BFGS: 9925 10:46:32 -2252.365977 126.773078 BFGS: 9926 10:46:32 -2252.362060 126.688108 BFGS: 9927 10:46:32 -2252.358140 126.470440 BFGS: 9928 10:46:32 -2252.354213 126.697099 BFGS: 9929 10:46:32 -2252.350288 126.725532 BFGS: 9930 10:46:32 -2252.346368 126.384919 BFGS: 9931 10:46:32 -2252.342445 126.691044 BFGS: 9932 10:46:32 -2252.338522 126.694921 BFGS: 9933 10:46:32 -2252.334109 124.993511 BFGS: 9934 10:46:32 -2252.330674 126.720267 BFGS: 9935 10:46:32 -2252.326758 126.626035 BFGS: 9936 10:46:32 -2252.322839 126.433732 BFGS: 9937 10:46:32 -2252.318913 126.628015 BFGS: 9938 10:46:32 -2252.314987 126.670927 BFGS: 9939 10:46:32 -2252.311073 126.512730 BFGS: 9940 10:46:32 -2252.307150 126.546517 BFGS: 9941 10:46:32 -2252.303230 126.472210 BFGS: 9942 10:46:32 -2252.299308 126.520242 BFGS: 9943 10:46:32 -2252.295385 126.533871 BFGS: 9944 10:46:32 -2252.291462 126.376751 BFGS: 9945 10:46:32 -2252.287540 126.498838 BFGS: 9946 10:46:32 -2252.283614 126.380288 BFGS: 9947 10:46:32 -2252.279693 126.569695 BFGS: 9948 10:46:32 -2252.275768 126.650059 BFGS: 9949 10:46:32 -2252.271851 126.672790 BFGS: 9950 10:46:32 -2252.267931 126.593060 BFGS: 9951 10:46:32 -2252.263956 125.645493 BFGS: 9952 10:46:32 -2252.260091 126.529763 BFGS: 9953 10:46:33 -2252.256175 126.476419 BFGS: 9954 10:46:33 -2252.252234 125.961017 BFGS: 9955 10:46:33 -2252.248334 126.508323 BFGS: 9956 10:46:33 -2252.244417 126.472837 BFGS: 9957 10:46:33 -2252.240472 125.952934 BFGS: 9958 10:46:33 -2252.236574 126.503426 BFGS: 9959 10:46:33 -2252.232658 126.455917 BFGS: 9960 10:46:33 -2252.228723 125.985915 BFGS: 9961 10:46:33 -2252.224817 126.474578 BFGS: 9962 10:46:33 -2252.220900 126.433443 BFGS: 9963 10:46:33 -2252.216945 125.818889 BFGS: 9964 10:46:33 -2252.213059 126.455068 BFGS: 9965 10:46:33 -2252.209144 126.397239 BFGS: 9966 10:46:33 -2252.205218 125.997738 BFGS: 9967 10:46:33 -2252.201305 126.412887 BFGS: 9968 10:46:33 -2252.197388 126.383879 BFGS: 9969 10:46:33 -2252.193329 125.371853 BFGS: 9970 10:46:33 -2252.189548 126.410547 BFGS: 9971 10:46:33 -2252.185636 126.328915 BFGS: 9972 10:46:33 -2252.181720 126.075305 BFGS: 9973 10:46:33 -2252.177799 126.334925 BFGS: 9974 10:46:33 -2252.173880 126.346657 BFGS: 9975 10:46:33 -2252.169906 125.635564 BFGS: 9976 10:46:33 -2252.166045 126.342741 BFGS: 9977 10:46:33 -2252.162132 126.277595 BFGS: 9978 10:46:33 -2252.158212 125.922538 BFGS: 9979 10:46:33 -2252.154296 126.289683 BFGS: 9980 10:46:33 -2252.150381 126.270545 BFGS: 9981 10:46:33 -2252.145710 124.181608 BFGS: 9982 10:46:33 -2252.142544 126.301660 BFGS: 9983 10:46:33 -2252.138635 126.198959 BFGS: 9984 10:46:33 -2252.134722 126.016436 BFGS: 9985 10:46:33 -2252.130803 126.193475 BFGS: 9986 10:46:33 -2252.126883 126.243474 BFGS: 9987 10:46:33 -2252.122973 126.162277 BFGS: 9988 10:46:33 -2252.119061 125.978908 BFGS: 9989 10:46:33 -2252.115143 126.135412 BFGS: 9990 10:46:33 -2252.111223 126.198879 BFGS: 9991 10:46:33 -2252.107307 126.187603 BFGS: 9992 10:46:33 -2252.098754 121.036053 BFGS: 9993 10:46:33 -2252.099444 125.995401 BFGS: 9994 10:46:33 -2252.095499 126.300827 BFGS: 9995 10:46:33 -2252.091651 126.133793 BFGS: 9996 10:46:33 -2252.087737 126.064301 BFGS: 9997 10:46:34 -2252.083822 125.887082 BFGS: 9998 10:46:34 -2252.079902 126.038000 BFGS: 9999 10:46:34 -2252.075978 126.095638 BFGS: 10000 10:46:34 -2252.071973 125.386732 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 110.94114134075016 eV/Angstrom Maximum stress component: 1.502450366102599 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 4.16427689e-25 6.96562486e-01] [6.66666667e-01 3.33333333e-01 2.98958192e-02] [3.33333333e-01 6.66666667e-01 3.63229153e-01] [1.19677288e-17 4.23312931e-24 3.99346904e-01] [6.66666667e-01 3.33333333e-01 7.32680238e-01] [3.33333333e-01 6.66666667e-01 6.60135709e-02] [5.54457439e-17 0.00000000e+00 1.53795109e-01] [6.66666667e-01 3.33333333e-01 4.87128442e-01] [3.33333333e-01 6.66666667e-01 8.20461775e-01] [3.26531175e-18 0.00000000e+00 5.08681296e-01] [6.66666667e-01 3.33333333e-01 8.42014630e-01] [3.33333333e-01 6.66666667e-01 1.75347963e-01] [0.00000000e+00 4.74157134e-26 8.47932881e-01] [6.66666667e-01 3.33333333e-01 1.81266214e-01] [3.33333333e-01 6.66666667e-01 5.14599548e-01] [4.23939409e-17 0.00000000e+00 1.95919262e-01] [6.66666667e-01 3.33333333e-01 5.29252596e-01] [3.33333333e-01 6.66666667e-01 8.62585929e-01] [1.00000000e+00 1.88625889e-26 8.70798282e-01] [6.66666667e-01 3.33333333e-01 2.04131615e-01] [3.33333333e-01 6.66666667e-01 5.37464948e-01] [0.00000000e+00 5.58090266e-26 6.41037132e-01] [6.66666667e-01 3.33333333e-01 9.74370465e-01] [3.33333333e-01 6.66666667e-01 3.07703798e-01] [2.93527154e-17 0.00000000e+00 3.21355483e-01] [6.66666667e-01 3.33333333e-01 6.54688817e-01] [3.33333333e-01 6.66666667e-01 9.88022150e-01] [0.00000000e+00 3.53706582e-26 6.64910710e-01] [6.66666667e-01 3.33333333e-01 9.98244043e-01] [3.33333333e-01 6.66666667e-01 3.31577376e-01] [6.84877584e-17 1.23053765e-26 1.44714246e-02] [6.66666667e-01 3.33333333e-01 3.47804758e-01] [3.33333333e-01 6.66666667e-01 6.81138091e-01] [0.00000000e+00 0.00000000e+00 6.54296730e-01] [6.66666667e-01 3.33333333e-01 9.87630063e-01] [3.33333333e-01 6.66666667e-01 3.20963397e-01] [3.26232291e-17 0.00000000e+00 2.57775624e-01] [6.66666667e-01 3.33333333e-01 5.91108957e-01] [3.33333333e-01 6.66666667e-01 9.24442290e-01] [0.00000000e+00 0.00000000e+00 5.34228851e-01] [6.66666667e-01 3.33333333e-01 8.67562184e-01] [3.33333333e-01 6.66666667e-01 2.00895517e-01] [0.00000000e+00 9.02931818e-26 8.59685053e-01] [6.66666667e-01 3.33333333e-01 1.93018387e-01] [3.33333333e-01 6.66666667e-01 5.26351720e-01] [4.56646643e-17 0.00000000e+00 1.83693668e-01] [6.66666667e-01 3.33333333e-01 5.17027001e-01] [3.33333333e-01 6.66666667e-01 8.50360334e-01] [0.00000000e+00 1.01321605e-25 8.36090720e-01] [6.66666667e-01 3.33333333e-01 1.69424054e-01] [3.33333333e-01 6.66666667e-01 5.02757387e-01] [6.52666754e-18 1.82138760e-25 4.91316553e-01] [6.66666667e-01 3.33333333e-01 8.24649886e-01] [3.33333333e-01 6.66666667e-01 1.57983220e-01] [5.87166057e-17 3.42064622e-25 6.64476770e-02] [6.66666667e-01 3.33333333e-01 3.99781010e-01] [3.33333333e-01 6.66666667e-01 7.33114344e-01] [1.52292291e-17 0.00000000e+00 3.66870640e-01] [6.66666667e-01 3.33333333e-01 7.00203973e-01] [3.33333333e-01 6.66666667e-01 3.35373064e-02] [0.00000000e+00 1.96124566e-25 6.85634430e-01] [6.66666667e-01 3.33333333e-01 1.89677631e-02] [3.33333333e-01 6.66666667e-01 3.52301096e-01] [1.00000000e+00 1.30555873e-25 2.60116378e-03] [6.66666667e-01 3.33333333e-01 3.35934497e-01] [3.33333333e-01 6.66666667e-01 6.69267830e-01]] cellpar = Cell([[1.791991934109392, -2.637872265573065e-16, 1.9588215507724667e-15], [-0.8959959670546964, 1.5519105383155434, -1.955716452244899e-15], [3.467465216119581e-14, -1.9765497969342638e-14, 94.37893531144913]]) forces = [[-1.33625318e-14 7.61700775e-15 -3.63707043e+01] [-1.33625318e-14 7.61700775e-15 -3.63707043e+01] [-1.33625318e-14 7.61700775e-15 -3.63707043e+01] [ 9.62511503e-15 -5.48657823e-15 2.61980453e+01] [ 9.62511503e-15 -5.48657823e-15 2.61980453e+01] [ 9.62511503e-15 -5.48657823e-15 2.61980453e+01] [ 7.48876698e-15 -4.26880154e-15 2.03832428e+01] [ 7.48876698e-15 -4.26880154e-15 2.03832428e+01] [ 7.48876698e-15 -4.26880154e-15 2.03832428e+01] [-2.15934284e-15 1.23088434e-15 -5.87739069e+00] [-2.15934284e-15 1.23088434e-15 -5.87739069e+00] [-2.15934284e-15 1.23088434e-15 -5.87739069e+00] [-2.02173342e-14 1.15244322e-14 -5.50283957e+01] [-2.02173342e-14 1.15244322e-14 -5.50283957e+01] [-2.02173342e-14 1.15244322e-14 -5.50283957e+01] [ 2.40049776e-14 -1.36834923e-14 6.53377636e+01] [ 2.40049776e-14 -1.36834923e-14 6.53377636e+01] [ 2.40049776e-14 -1.36834923e-14 6.53377636e+01] [ 9.84847238e-15 -5.61389801e-15 2.68059888e+01] [ 9.84847238e-15 -5.61389801e-15 2.68059888e+01] [ 9.84847238e-15 -5.61389801e-15 2.68059888e+01] [ 3.35478492e-15 -1.91231895e-15 9.13119552e+00] [ 3.35478492e-15 -1.91231895e-15 9.13119552e+00] [ 3.35478492e-15 -1.91231895e-15 9.13119552e+00] [ 9.15833192e-16 -5.22049912e-16 2.49275353e+00] [ 9.15833192e-16 -5.22049912e-16 2.49275353e+00] [ 9.15833192e-16 -5.22049912e-16 2.49275353e+00] [ 2.87639420e-14 -1.63962319e-14 7.82909142e+01] [ 2.87639420e-14 -1.63962319e-14 7.82909142e+01] [ 2.87639420e-14 -1.63962319e-14 7.82909142e+01] [-1.27704225e-14 7.27948930e-15 -3.47590762e+01] [-1.27704225e-14 7.27948930e-15 -3.47590762e+01] [-1.27704225e-14 7.27948930e-15 -3.47590762e+01] [-2.09241237e-14 1.19273215e-14 -5.69521651e+01] [-2.09241237e-14 1.19273215e-14 -5.69521651e+01] [-2.09241237e-14 1.19273215e-14 -5.69521651e+01] [ 1.58281566e-41 -9.02248120e-42 4.30817463e-26] [ 1.58281566e-41 -9.02248120e-42 4.30817463e-26] [ 1.58281566e-41 -9.02248120e-42 4.30817463e-26] [-2.63031969e-14 1.49935400e-14 -7.15931543e+01] [-2.63031969e-14 1.49935400e-14 -7.15931543e+01] [-2.63031969e-14 1.49935400e-14 -7.15931543e+01] [ 9.68415068e-15 -5.52023016e-15 2.63587310e+01] [ 9.68415068e-15 -5.52023016e-15 2.63587310e+01] [ 9.68415068e-15 -5.52023016e-15 2.63587310e+01] [-3.92775488e-15 2.23892746e-15 -1.06907294e+01] [-3.92775488e-15 2.23892746e-15 -1.06907294e+01] [-3.92775488e-15 2.23892746e-15 -1.06907294e+01] [ 4.62773347e-15 -2.63793437e-15 1.25959608e+01] [ 4.62773347e-15 -2.63793437e-15 1.25959608e+01] [ 4.62773347e-15 -2.63793437e-15 1.25959608e+01] [-3.04647224e-15 1.73657231e-15 -8.29201703e+00] [-3.04647224e-15 1.73657231e-15 -8.29201703e+00] [-3.04647224e-15 1.73657231e-15 -8.29201703e+00] [-9.33770131e-15 5.32274457e-15 -2.54157505e+01] [-9.33770131e-15 5.32274457e-15 -2.54157505e+01] [-9.33770131e-15 5.32274457e-15 -2.54157505e+01] [ 2.11019651e-14 -1.20286960e-14 5.74362215e+01] [ 2.11019651e-14 -1.20286960e-14 5.74362215e+01] [ 2.11019651e-14 -1.20286960e-14 5.74362215e+01] [-4.07595771e-14 2.32340712e-14 -1.10941141e+02] [-4.07595771e-14 2.32340712e-14 -1.10941141e+02] [-4.07595771e-14 2.32340712e-14 -1.10941141e+02] [ 3.33927160e-14 -1.90347594e-14 9.08897073e+01] [ 3.33927160e-14 -1.90347594e-14 9.08897073e+01] [ 3.33927160e-14 -1.90347594e-14 9.08897073e+01]] stress = [ 1.50245037e+00 1.50245037e+00 1.31679701e+00 9.56506356e-16 -1.66828241e-15 7.01355994e-16] energy per atom = -34.12230262508177 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0