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=29.13657232711514 stress="-0.001199617735645598 -0.0001295115341662467 -0.0004068873929157812 -0.0001295115341662467 -0.0010833500519117083 5.908172942846627e-06 -0.0004068873929157812 5.908172942846627e-06 -0.0009850527652284118" pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -1.58520166 -0.92083781 -1.46840346 Cu 36.59933616 35.93572417 35.98055861 -8.68180077 -23.54732838 16.40394266 Cu 37.14715992 37.22516294 35.23402360 -1.08604310 9.21912327 -28.53824755 Cu 37.93229823 38.31172061 36.19084223 9.04001141 15.04485701 11.45981105 Cu 36.90181109 35.14771729 38.20399864 0.62872327 0.51888683 0.14603661 Cu 39.35802973 36.07349581 38.45018589 -0.16678051 -0.42893716 -0.84343361 Cu 34.76884260 38.20444678 38.02575960 -0.43817580 -0.53514736 -1.04833633 Cu 36.55604684 39.07636534 38.99475015 -24.88813596 76.78754979 -53.27132642 Cu 40.23975440 35.55577733 35.25284888 -1.76684145 0.19276842 -1.72207465 Cu 41.57116719 36.00454661 36.78983070 -3.75037990 2.33336888 -4.32472475 Cu 42.51432400 36.93324962 34.69615509 -0.64390697 0.30692401 0.95555219 Cu 43.42712388 38.91385061 36.22088890 3.71331744 -6.65519389 -6.21379161 Cu 42.73578848 35.79150318 38.24752218 -55.66202671 -26.38049294 -20.27913001 Cu 43.94092265 36.28827392 38.75986480 64.70758706 23.11407554 19.69209662 Cu 39.59592731 38.07886991 37.48008817 -12.20614210 -2.92408911 -17.60214075 Cu 40.62053955 38.32819731 38.74879789 16.06044444 3.05438521 17.79849024 Cu 34.82624793 39.49365118 35.42673195 -12.24047558 -13.05564669 -11.03503111 Cu 35.82447290 40.48365875 36.32972720 13.31264557 12.84285053 12.05233708 Cu 37.04272155 42.62085647 34.71585688 -0.04327482 -0.49236718 0.98458221 Cu 38.61643991 43.32327578 36.40123177 -47.80665800 28.71008190 -32.25856738 Cu 37.95366604 39.88968876 37.71888199 -5.04723527 -2.13145680 -7.09469993 Cu 39.18297782 40.79320854 38.72626791 7.86490771 8.55138419 2.94119933 Cu 35.02039589 43.08349217 37.63905551 -3.86619099 -2.86940386 -6.53515511 Cu 36.05879578 43.59193131 39.11824152 2.03042710 5.05999081 5.11751414 Cu 40.84552544 39.82520067 35.06533237 -0.97563112 -2.57347943 -1.50541346 Cu 41.60365422 41.12475624 36.46651109 -10.79247639 16.03161543 -8.58487419 Cu 41.78042048 43.31103882 34.75724372 0.05378104 -0.78974925 1.62828337 Cu 43.52629705 43.46239944 36.79309461 -1.43224640 -1.20656062 0.11941066 Cu 42.58087455 40.09122498 37.35935114 4.26644727 -9.12197502 14.38798282 Cu 43.73510397 41.07781524 38.65337001 2.71580412 2.27793185 2.70033447 Cu 39.66448343 42.68403127 37.11226018 47.12855028 -29.59627216 31.07774986 Cu 40.97555741 43.06281160 38.89352680 -17.99636522 5.89268850 -10.10144514 Cu 35.08650936 34.99270265 39.79859771 -51.27180102 -44.39595169 -32.29051323 Cu 36.02951638 35.81350238 40.39348859 51.74754446 45.01802787 32.97980583 Cu 37.00297454 37.99791377 39.62151619 34.69495985 -82.28321598 47.27360717 Cu 38.75210362 38.44613179 41.76132422 -1.85310760 -4.67777420 6.58361790 Cu 37.31797163 35.38405289 42.79856259 0.17870744 0.71756742 -0.99324932 Cu 39.40149214 36.08701121 43.76610800 -14.61165663 -13.12556544 12.84190637 Cu 35.21739672 38.13697317 42.60739620 -19.34898225 -15.51854202 -19.37101961 Cu 36.22422232 38.91950201 43.54655608 5.41227509 2.00409613 27.16041275 Cu 39.28893760 35.22757881 40.50692713 -0.40680108 0.22368882 1.75964383 Cu 41.48837336 36.00831489 41.43404765 -24.21912943 32.99854091 -18.99635476 Cu 42.84911873 36.81500577 40.22971067 -2.72292263 2.13065471 2.83368508 Cu 43.71562119 38.49425818 41.03735392 3.26146427 -1.54250965 -1.54658040 Cu 42.20384740 34.85081933 42.03810700 22.90486101 -36.14980221 19.60675337 Cu 43.65919048 36.11178622 43.88925171 -1.09576398 0.02736413 -1.23506600 Cu 40.41452828 37.00336033 42.84575081 12.81198842 14.90801294 -10.85153410 Cu 40.85429854 39.16374031 43.74908259 0.87888754 0.10530582 -0.83831926 Cu 35.28526443 39.62769123 40.10727546 -10.01205724 4.45224358 9.06672137 Cu 36.29964123 41.79720326 40.73723777 -30.97121008 -13.87482807 26.62701363 Cu 37.40122931 42.21827495 39.80335328 31.58474959 5.98700725 -29.93432613 Cu 38.63834321 43.28337470 40.87827378 3.67076435 3.03959933 3.41043280 Cu 37.36102597 39.94186987 42.87644269 14.06220063 13.95007099 -9.48410077 Cu 39.21822805 40.70787358 44.06940741 0.05598516 0.75497122 -0.42775122 Cu 35.11551939 42.75138677 42.23322464 -1.80411053 0.11184375 0.83484484 Cu 36.70708239 44.04511937 42.95555895 1.34114445 0.13137620 -0.40049297 Cu 39.22042981 39.39391917 40.19266730 1.11013858 1.69719006 -2.85380875 Cu 40.89974943 41.22892384 41.12165250 20.41433274 -36.83534183 -41.84490209 Cu 42.34497277 42.60168189 39.71375535 18.48763912 -5.86084909 11.36932242 Cu 43.67611777 43.71118706 41.38918701 -0.93639770 -0.73649268 0.00337025 Cu 42.99424106 40.00955443 42.05340744 -3.02883675 4.04693833 1.75670670 Cu 43.45186979 40.93751722 43.97630385 -0.48308379 0.50278950 0.57172296 Cu 40.39757659 42.11536967 42.13716159 -21.37525265 33.74012817 40.29260092 Cu 40.99623589 43.72152709 43.29927288 1.07681269 1.74391121 1.05732254