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=29.171948128243788 stress="-0.001199821637332969 -0.00012953570217534316 -0.0004069413250988016 -0.00012953570217534316 -0.0010835333828853077 5.899066716580539e-06 -0.0004069413250988016 5.899066716580539e-06 -0.0009852384620671333" pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -1.58571367 -0.92120622 -1.46884054 Cu 36.59933616 35.93572417 35.98055861 -8.68275999 -23.55025118 16.40605327 Cu 37.14715992 37.22516294 35.23402360 -1.08617798 9.22026820 -28.54205487 Cu 37.93229823 38.31172061 36.19084223 9.04114625 15.04680881 11.46102064 Cu 36.90181109 35.14771729 38.20399864 0.62890148 0.51872890 0.14593372 Cu 39.35802973 36.07349581 38.45018589 -0.16682094 -0.42919730 -0.84360783 Cu 34.76884260 38.20444678 38.02575960 -0.43860433 -0.53539935 -1.04861163 Cu 36.55604684 39.07636534 38.99475015 -24.89033372 76.79518442 -53.27686057 Cu 40.23975440 35.55577733 35.25284888 -1.76734522 0.19257628 -1.72258996 Cu 41.57116719 36.00454661 36.78983070 -3.75086662 2.33358260 -4.32525397 Cu 42.51432400 36.93324962 34.69615509 -0.64382594 0.30695326 0.95535425 Cu 43.42712388 38.91385061 36.22088890 3.71414733 -6.65621480 -6.21475785 Cu 42.73578848 35.79150318 38.24752218 -55.66793150 -26.38364998 -20.28125648 Cu 43.94092265 36.28827392 38.75986480 64.71514232 23.11651452 19.69397482 Cu 39.59592731 38.07886991 37.48008817 -12.20751620 -2.92443622 -17.60444813 Cu 40.62053955 38.32819731 38.74879789 16.06270745 3.05477154 17.80078681 Cu 34.82624793 39.49365118 35.42673195 -12.24228689 -13.05741518 -11.03668339 Cu 35.82447290 40.48365875 36.32972720 13.31433708 12.84464987 12.05389819 Cu 37.04272155 42.62085647 34.71585688 -0.04339776 -0.49240713 0.98440060 Cu 38.61643991 43.32327578 36.40123177 -47.81197005 28.71348860 -32.26212188 Cu 37.95366604 39.88968876 37.71888199 -5.04790714 -2.13154395 -7.09579365 Cu 39.18297782 40.79320854 38.72626791 7.86605873 8.55266370 2.94154554 Cu 35.02039589 43.08349217 37.63905551 -3.86699948 -2.86978342 -6.53628287 Cu 36.05879578 43.59193131 39.11824152 2.03066670 5.06109076 5.11823511 Cu 40.84552544 39.82520067 35.06533237 -0.97594048 -2.57393588 -1.50597257 Cu 41.60365422 41.12475624 36.46651109 -10.79386066 16.03378378 -8.58591466 Cu 41.78042048 43.31103882 34.75724372 0.05375222 -0.78971105 1.62818371 Cu 43.52629705 43.46239944 36.79309461 -1.43217949 -1.20651738 0.11944244 Cu 42.58087455 40.09122498 37.35935114 4.26688454 -9.12318928 14.38994721 Cu 43.73510397 41.07781524 38.65337001 2.71654497 2.27819458 2.70083964 Cu 39.66448343 42.68403127 37.11226018 47.13371236 -29.59951211 31.08110464 Cu 40.97555741 43.06281160 38.89352680 -17.99868333 5.89366188 -10.10269742 Cu 35.08650936 34.99270265 39.79859771 -51.27766201 -44.40092946 -32.29398061 Cu 36.02951638 35.81350238 40.39348859 51.75308548 45.02291358 32.98357729 Cu 37.00297454 37.99791377 39.62151619 34.69858582 -82.29171778 47.27841798 Cu 38.75210362 38.44613179 41.76132422 -1.85335562 -4.67852612 6.58454004 Cu 37.31797163 35.38405289 42.79856259 0.17853853 0.71747622 -0.99327443 Cu 39.40149214 36.08701121 43.76610800 -14.61349668 -13.12733016 12.84384581 Cu 35.21739672 38.13697317 42.60739620 -19.35163159 -15.52060981 -19.37342806 Cu 36.22422232 38.91950201 43.54655608 5.41281193 2.00426269 27.16408393 Cu 39.28893760 35.22757881 40.50692713 -0.40692723 0.22347904 1.75994942 Cu 41.48837336 36.00831489 41.43404765 -24.22199895 33.00224849 -18.99864605 Cu 42.84911873 36.81500577 40.22971067 -2.72330580 2.13101827 2.83413640 Cu 43.71562119 38.49425818 41.03735392 3.26217919 -1.54269977 -1.54683736 Cu 42.20384740 34.85081933 42.03810700 22.90756674 -36.15438528 19.60905423 Cu 43.65919048 36.11178622 43.88925171 -1.09568780 0.02740038 -1.23497719 Cu 40.41452828 37.00336033 42.84575081 12.81362797 14.90996125 -10.85278100 Cu 40.85429854 39.16374031 43.74908259 0.87916177 0.10526574 -0.83824031 Cu 35.28526443 39.62769123 40.10727546 -10.01373630 4.45296548 9.06807959 Cu 36.29964123 41.79720326 40.73723777 -30.97483856 -13.87664299 26.63014066 Cu 37.40122931 42.21827495 39.80335328 31.58848986 5.98747372 -29.93796644 Cu 38.63834321 43.28337470 40.87827378 3.67137953 3.04030201 3.41093808 Cu 37.36102597 39.94186987 42.87644269 14.06391120 13.95203431 -9.48529936 Cu 39.21822805 40.70787358 44.06940741 0.05589961 0.75525982 -0.42750095 Cu 35.11551939 42.75138677 42.23322464 -1.80480074 0.11180515 0.83509975 Cu 36.70708239 44.04511937 42.95555895 1.34148415 0.13169923 -0.40029402 Cu 39.22042981 39.39391917 40.19266730 1.11034020 1.69743904 -2.85406330 Cu 40.89974943 41.22892384 41.12165250 20.41661122 -36.83961355 -41.84963552 Cu 42.34497277 42.60168189 39.71375535 18.49000573 -5.86150693 11.37072983 Cu 43.67611777 43.71118706 41.38918701 -0.93626393 -0.73637309 0.00351770 Cu 42.99424106 40.00955443 42.05340744 -3.02921674 4.04752921 1.75684321 Cu 43.45186979 40.93751722 43.97630385 -0.48296255 0.50299526 0.57216683 Cu 40.39757659 42.11536967 42.13716159 -21.37769909 33.74376270 40.29708146 Cu 40.99623589 43.72152709 43.29927288 1.07702462 1.74449206 1.05775005