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=-17.754137575257605 stress="-0.0005772752675011351 -5.784160081416328e-05 -0.00032121015532399883 -5.784160081416328e-05 -0.0006672172870953267 3.8352267258114966e-05 -0.00032121015532399883 3.8352267258114966e-05 -0.0005566843958332039" pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -1.37405036 -0.77221630 -1.14436499 Cu 36.59933616 35.93572417 35.98055861 -5.71782510 -16.20548973 12.23820635 Cu 37.14715992 37.22516294 35.23402360 -1.02484087 6.07725799 -20.17836813 Cu 37.93229823 38.31172061 36.19084223 7.28216017 11.03782097 8.60149397 Cu 37.29465675 35.14771729 38.20399864 -0.88728618 0.40790444 0.26740571 Cu 39.35802973 36.07349581 38.45018589 -1.04921561 -8.82805364 7.25158592 Cu 34.76884260 38.20444678 38.02575960 -0.20343176 -0.62921714 -0.72803212 Cu 36.55604684 39.07636534 38.99475015 -18.16656862 43.64876071 -24.54796003 Cu 40.23975440 35.55577733 35.25284888 -1.68826156 0.28972041 -1.15863917 Cu 41.57116719 36.00454661 36.78983070 -4.11919602 4.36913305 -3.14525190 Cu 42.51432400 36.93324962 34.69615509 -0.53908596 0.23374492 1.00660074 Cu 43.42712388 38.91385061 36.22088890 2.82599957 -5.59708592 -4.55337674 Cu 42.81964364 35.29825864 37.90182602 5.04767722 -3.13082633 5.09385473 Cu 43.94092265 36.79747090 39.26025248 9.66706910 -6.76620849 -9.09498983 Cu 39.61890133 37.43827487 37.40447350 1.69489810 9.05245567 -7.25856387 Cu 41.32868209 38.48931485 38.46659910 0.55043574 -0.32396263 0.53814402 Cu 34.72941635 39.65017747 35.17843495 -1.28696632 -3.55488588 -0.94335258 Cu 35.67994952 41.20201413 35.91957267 -2.69905987 -2.34310294 5.87709579 Cu 36.83832478 42.32454839 35.07964709 5.26557141 4.64856108 -3.30621735 Cu 38.61643991 43.32327578 36.40123177 -29.17532594 17.39595546 -19.34321018 Cu 37.95366604 39.88968876 37.71888199 -9.90691124 -5.94928492 -7.93974702 Cu 39.18297782 40.79320854 38.39174556 11.66966578 10.51042023 3.42666351 Cu 35.30302897 42.83814538 37.63905551 -0.29077069 -2.49787355 -2.49512324 Cu 35.93114464 43.99801325 39.11824152 1.73588385 1.24278874 2.90067352 Cu 40.10049303 40.54851891 34.85209736 -0.73999675 -0.09080738 0.71272406 Cu 41.60365422 41.12475624 36.46651109 -8.64138982 9.78968890 -7.36447328 Cu 42.06544791 43.43063630 35.46577408 -12.76290044 -3.40521309 -3.83299606 Cu 43.61612729 43.80145122 36.02098422 11.84398179 2.45608529 4.78150571 Cu 42.58087455 40.09122498 37.35935114 4.51875636 -4.97288454 11.28738825 Cu 43.53127631 41.09201764 38.97117919 0.94108235 -0.33117294 1.50978904 Cu 39.66448343 42.68403127 37.11226018 28.52728945 -17.56545656 18.12895104 Cu 40.97555741 43.07655432 38.89352680 -15.47461941 2.80688619 -8.47342534 Cu 35.04263434 35.15136053 39.28249517 -2.04696010 -0.29496528 -3.54880342 Cu 36.21994698 35.60264947 40.79204899 -2.24382436 5.02400869 -8.19793918 Cu 37.00297454 37.99791377 39.62151619 18.70543611 -45.61797333 26.15711847 Cu 38.81127333 38.51894432 41.34725891 -2.05042566 -2.35477854 3.02003918 Cu 36.91735306 35.17049102 42.29388522 5.75395069 -2.43992910 11.23665418 Cu 39.08450338 35.75571598 43.99881808 -4.65625933 -8.59713940 6.25091580 Cu 35.23710347 37.57017884 42.51668654 -1.32506299 -3.10733415 -3.25413286 Cu 36.22422232 38.91950201 43.54655608 -8.10079983 -6.56397035 7.99163343 Cu 39.94590214 35.43324153 40.72739038 -9.03669579 -2.66306460 -3.60871864 Cu 41.48837336 36.00831489 41.43404765 -6.31843242 27.24653915 -8.25557258 Cu 42.84911873 37.58984275 40.26936712 -32.22667660 -19.02840744 -13.81303528 Cu 43.60556472 38.49425818 41.03735392 21.69514895 27.11227961 22.99558450 Cu 42.20384740 34.85081933 42.03810700 14.92128711 -23.31303700 12.68947700 Cu 43.86847215 36.00394286 43.76534421 -0.91828999 0.22304709 -0.87898425 Cu 39.73333753 37.00409575 43.00005349 2.66426155 6.97986915 -8.49602979 Cu 41.03695434 38.28719268 43.94632733 1.72171725 1.88246326 0.24363700 Cu 34.94292271 39.80099153 40.20999044 -1.15070890 0.12987319 1.12253662 Cu 36.26332309 41.49467021 41.17665376 -0.24307061 -0.44808504 0.86724501 Cu 37.82350393 42.21827495 39.80335328 -5.38291160 -7.66034285 -9.14541832 Cu 38.63834321 43.28337470 40.87827378 5.92703965 7.74097736 8.03511531 Cu 37.36102597 39.94186987 42.87644269 9.83878773 9.34611494 -7.26102918 Cu 39.23911782 40.86547492 43.69892213 0.74537835 -0.14900758 0.09877955 Cu 35.06236183 42.74812411 42.77511221 -0.45026979 -0.89195339 -0.73744170 Cu 36.48115325 43.96771709 43.78828861 1.15194465 0.15184629 0.02206651 Cu 39.68857725 39.62342496 39.94578024 2.45360911 -0.60924952 -0.04891967 Cu 40.89974943 41.22892384 41.12165250 12.57322339 -22.56651105 -26.70156256 Cu 42.34497277 42.80178516 39.71375535 15.43346349 -2.31405665 10.39238646 Cu 43.94674946 43.83088558 41.99939752 -1.06347438 -1.19243012 0.00024911 Cu 42.80425086 40.90660926 42.38824999 -7.80200263 -4.71169436 -11.38134101 Cu 43.73378564 41.43478714 43.66957874 7.76713658 5.24510207 10.91446109 Cu 40.39757659 42.11536967 42.13716159 -12.71269668 22.62382474 25.27941491 Cu 40.99934153 43.70821989 43.60820831 0.55340875 -0.18545786 -0.10237622