64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-48.24789414468125 stress="-0.0006329518137780022 -3.452408699971672e-06 -0.00016338169466090208 -3.452408699971672e-06 -0.0007386075188320469 7.692477774111955e-05 -0.00016338169466090208 7.692477774111955e-05 -0.0006019750006123162" free_energy=-48.24789414468125 pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -1.30203203 -0.88006246 -1.22463069 Cu 36.59933616 35.93572417 35.98055861 -8.26824846 -11.82241198 5.45965617 Cu 37.14715992 37.22516294 35.23402360 -0.93652975 4.91220079 -19.29570203 Cu 37.93229823 38.31172061 36.19084223 6.92749397 10.97452548 7.44951954 Cu 37.29465675 34.93158033 37.44481085 1.54401566 -4.20223591 4.59174704 Cu 38.85840215 35.76443239 38.74197382 0.62971379 1.21053102 -0.28736979 Cu 35.01305245 38.37091231 38.11880303 -5.14927577 -5.21737831 -6.64715187 Cu 36.55604684 39.07636534 38.99475015 -5.40838506 36.44454971 -18.52898630 Cu 40.37367246 35.41590283 35.08987003 -0.27113629 0.53247221 -0.43915510 Cu 41.81595901 36.02721648 36.76701063 -6.69344055 5.23177444 -7.19673221 Cu 42.17355270 37.23803765 34.86420263 0.04620258 0.59295314 -0.50405118 Cu 43.67982227 38.56376137 36.36350095 0.42168206 -1.45163515 -1.55258314 Cu 42.81964364 35.29825864 37.95690936 3.94675777 -7.83424804 4.54039872 Cu 43.94092265 36.07198747 39.28323834 16.10634062 -7.97950233 -3.80658248 Cu 39.58503916 37.18049354 36.97266471 1.69448303 -1.63031364 0.44628488 Cu 40.68565759 38.28457910 38.77269330 -0.24772085 0.55755746 -0.06713485 Cu 35.19056740 39.70676063 35.45558802 -0.86121954 -0.94032681 -0.47514055 Cu 36.49928622 40.79692580 36.73410168 -2.36525789 4.44812460 -1.78164857 Cu 37.49728798 42.21972589 35.09651729 -2.12988464 -2.32708435 -1.65244123 Cu 38.61643991 43.32327578 36.40123177 -18.69278489 14.91019536 -12.44337642 Cu 37.95366604 39.88968876 37.71888199 -11.46863978 -12.71060169 -7.57579546 Cu 39.18297782 40.79320854 38.39174556 16.35416462 11.38628078 9.40500649 Cu 35.34278350 42.83814538 37.63905551 -1.97416951 -5.01028533 -8.65788817 Cu 35.60366252 43.66349090 39.11824152 1.46086763 4.86561168 8.66083564 Cu 40.26176311 40.27927672 34.77599447 -0.22159724 -0.10472837 -0.11709581 Cu 41.60365422 41.12475624 36.46651109 -8.69015827 10.53945144 -9.40043787 Cu 41.67119966 43.29253646 34.78221554 0.87438065 -0.16879079 0.44601664 Cu 43.57559210 43.55058575 36.17451505 -0.91421585 -0.46620546 -0.47436746 Cu 42.58087455 40.09122498 37.35935114 8.41071398 -9.81237075 10.21695950 Cu 43.97462727 41.11272182 38.87984742 0.05440920 0.29501137 0.04100882 Cu 39.66448343 42.68403127 37.11226018 19.38290679 -12.02815508 12.18529407 Cu 40.97555741 43.31914392 38.89352680 -9.55245206 4.82634304 -5.03155743 Cu 34.77045360 35.28866239 39.68786656 -2.60304293 -2.51433392 -1.91766579 Cu 36.11803101 36.55239207 40.36469048 -1.99679772 -5.39899143 6.77826715 Cu 37.00297454 37.99791377 39.62151619 18.85551079 -28.95732311 15.98502710 Cu 38.55150311 38.51894432 41.34725891 -4.94691374 -8.13017228 7.39631882 Cu 37.43970136 35.30962604 42.02044147 -2.82826799 0.61929180 1.22212672 Cu 39.08450338 35.75571598 43.58475277 -5.28329757 -6.77646335 5.21622840 Cu 34.99655912 37.96978731 42.51668654 -3.90460415 -3.17656299 -3.79312276 Cu 36.22422232 38.91950201 43.54655608 -5.12123909 -5.17659944 8.89033788 Cu 39.08532250 35.00206044 40.83625574 2.72596161 -0.78399453 -0.70481156 Cu 41.48837336 36.00831489 41.43404765 -11.35035080 16.36550521 -9.74442277 Cu 42.84911873 37.01595790 40.07449325 -14.03711368 7.73762636 4.00236269 Cu 43.60556472 38.49425818 41.03735392 2.77381888 4.08013598 2.44704539 Cu 42.20384740 34.85081933 42.03810700 12.08537924 -18.50491652 10.47163309 Cu 43.75567948 35.58042468 44.03850275 -0.46741592 -0.21972648 -0.60251753 Cu 40.09980901 37.00409575 42.77385137 3.26911143 7.25898028 -5.18692375 Cu 40.45001924 38.68012147 44.06439877 0.65355839 1.40938384 0.78335729 Cu 34.83286624 39.62936138 39.65540456 -6.64938181 4.49994113 6.43023212 Cu 35.43781512 41.81416538 40.78912195 0.47936418 0.02427721 0.00626611 Cu 37.82350393 42.21827495 39.80335328 -6.11272782 -7.77360899 -8.08013620 Cu 38.63834321 43.28337470 40.87827378 5.05135214 8.27452871 7.54604964 Cu 37.36102597 39.94186987 42.87644269 8.60095692 8.24417616 -5.51836648 Cu 39.65391855 41.03411984 43.38544395 -2.58222964 -6.19481440 6.10194834 Cu 35.04351831 43.23553491 42.63970276 0.64682381 0.01282543 0.02880156 Cu 36.97419286 43.97675809 43.59647343 -1.12134921 0.40509667 -0.44441353 Cu 39.50493887 39.74812168 40.36805486 4.49062001 5.15558178 -6.62313408 Cu 40.89974943 41.22892384 41.12165250 11.82899610 -17.62084683 -19.90650914 Cu 42.34497277 42.80178516 39.71375535 11.67870930 -3.65440801 6.84361178 Cu 43.72557247 43.55011602 41.91154804 -0.73860218 -0.32000456 0.63943423 Cu 42.61642137 39.97690407 42.58223207 0.08317723 0.13101100 0.98437239 Cu 43.93333148 41.38215830 43.97076095 -0.78988773 0.28537085 -0.91390317 Cu 40.39757659 42.11536967 42.13716159 -6.22669653 24.27079319 16.14899975 Cu 41.59856987 44.06168698 43.85549530 0.82959455 -0.71300485 -0.76939261