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=79.02639289888333 stress="-0.001765574396622946 -0.00017587711931378236 -0.0005884284325132647 -0.00017587711931378236 -0.0015895736130314266 6.8207449031261e-05 -0.0005884284325132647 6.8207449031261e-05 -0.0013893235246524955" pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -0.58917567 -0.20939989 -0.63879220 Cu 36.59933616 35.93572417 35.98055861 -15.00263023 -36.84623720 22.82010444 Cu 37.14715992 37.22516294 35.23402360 -0.86247493 14.71827497 -42.16402672 Cu 37.93229823 38.31172061 36.19084223 15.35955923 22.70970963 19.48280380 Cu 36.90181109 35.14771729 38.20399864 0.52720550 0.42742029 0.27096013 Cu 39.35802973 36.07349581 38.45018589 0.08513494 -0.18501018 -0.68168411 Cu 34.76884260 38.20444678 38.02575960 0.25543562 -0.06419510 -0.70169207 Cu 36.55604684 39.07636534 38.99475015 -38.21101771 117.22018463 -81.26764715 Cu 40.23975440 35.55577733 35.25284888 -0.77581140 0.41834369 -0.54897042 Cu 41.57116719 36.00454661 36.78983070 -5.78592854 2.13596171 -6.36821484 Cu 42.51432400 36.93324962 34.69615509 -0.52657807 0.27570997 0.64514047 Cu 43.42712388 38.91385061 36.22088890 4.80852832 -7.81672093 -7.61856785 Cu 42.73578848 35.79150318 38.24752218 -88.04583823 -39.95352641 -32.55587001 Cu 43.94092265 36.28827392 38.75986480 98.48009520 36.59973121 33.22494231 Cu 39.59592731 38.07886991 37.48008817 -20.40224811 -4.69786685 -26.37701364 Cu 40.62053955 38.32819731 38.74879789 22.24108987 4.89603712 26.13335408 Cu 34.82624793 39.49365118 35.42673195 -17.98380737 -18.77854981 -16.21200563 Cu 35.82447290 40.48365875 36.32972720 18.89620800 18.25797551 17.12633902 Cu 37.04272155 42.62085647 34.71585688 -0.11163521 -0.40540308 0.74513446 Cu 38.61643991 43.32327578 36.40123177 -74.26989046 45.17251260 -50.30477534 Cu 37.95366604 39.88968876 37.71888199 -7.89878563 -5.11164092 -7.76240575 Cu 39.18297782 40.79320854 38.72626791 9.71689956 8.90645447 5.32327956 Cu 35.02039589 43.08349217 37.63905551 -4.89359804 -3.30427023 -7.86491670 Cu 36.05879578 43.59193131 39.11824152 3.99968949 4.47492438 7.19705158 Cu 40.84552544 39.82520067 35.06533237 -0.23224877 -1.58914193 -0.49015308 Cu 41.60365422 41.12475624 36.46651109 -16.22877550 20.26363460 -14.13302650 Cu 41.78042048 43.31103882 34.75724372 -0.09162070 -0.67479757 1.25125571 Cu 43.52629705 43.46239944 36.79309461 -1.11306154 -1.10279828 0.32107303 Cu 42.58087455 40.09122498 37.35935114 8.28786139 -12.88606002 20.37994412 Cu 43.73510397 41.07781524 38.65337001 2.40489458 2.35463860 2.53280667 Cu 39.66448343 42.68403127 37.11226018 74.14943792 -45.84391889 49.77393034 Cu 40.97555741 43.06281160 38.89352680 -26.64349002 8.32647694 -15.45079442 Cu 35.08650936 34.99270265 39.79859771 -79.47024445 -69.01858335 -50.15762054 Cu 36.02951638 35.81350238 40.39348859 79.91750601 69.48942760 50.75876184 Cu 37.00297454 37.99791377 39.62151619 51.63717086 -123.22080548 70.96279914 Cu 38.75210362 38.44613179 41.76132422 -2.19708208 -5.22572156 7.89729522 Cu 37.31797163 35.38405289 42.79856259 0.16104472 0.56976123 -0.92571020 Cu 39.40149214 36.08701121 43.76610800 -21.11350333 -19.07750851 18.74890089 Cu 35.21739672 38.13697317 42.60739620 -29.47363102 -23.32541679 -28.82697044 Cu 36.22422232 38.91950201 43.54655608 9.21006441 4.19272026 40.42077916 Cu 39.28893760 35.22757881 40.50692713 -0.40949820 0.31144437 1.33383828 Cu 41.48837336 36.00831489 41.43404765 -37.46242045 54.21640124 -28.79709690 Cu 42.84911873 36.81500577 40.22971067 -2.63536133 3.32300221 3.64518572 Cu 43.71562119 38.49425818 41.04890985 2.89348894 -3.53178554 -2.54302161 Cu 42.20384740 34.85081933 42.03810700 35.34504613 -56.47107891 30.21030613 Cu 43.92266376 36.21309164 43.88925171 -0.84166601 -0.06683609 -0.92033384 Cu 40.41452828 37.00336033 42.84575081 20.12348477 20.12660445 -17.98006616 Cu 40.85429854 39.16374031 43.74908259 0.07349335 0.79916852 -0.75252649 Cu 35.28526443 39.62769123 40.10727546 -12.94807171 5.67730724 11.79597429 Cu 36.29964123 41.79720326 40.73723777 -49.57227229 -19.72586774 42.68276889 Cu 37.40122931 42.21827495 39.80335328 47.70319610 13.26486323 -46.06714541 Cu 38.61671803 43.28337470 40.87827378 4.11748133 3.43340392 3.83423010 Cu 37.36102597 39.94186987 42.87644269 20.74079901 19.41804144 -13.02175526 Cu 39.15415133 41.10762709 44.06940741 0.43961958 -0.08221396 -0.58022553 Cu 35.11551939 42.75138677 42.23322464 -0.39395004 -0.00942275 -0.02025044 Cu 36.70708239 44.04511937 42.95555895 0.65914246 -0.23717745 -0.56789866 Cu 39.22042981 39.39391917 40.19266730 1.48803953 2.95683198 -5.42555232 Cu 40.89974943 41.22892384 41.12165250 31.81238128 -57.01372397 -65.34779375 Cu 42.34497277 42.60168189 39.71375535 26.65333605 -8.96700935 16.03627887 Cu 43.67611777 43.71118706 41.38918701 -0.65143901 -0.39357300 0.12400797 Cu 42.99424106 40.00955443 42.05340744 -3.07925365 4.81116959 2.73917561 Cu 43.45186979 40.93751722 43.97630385 -0.48642751 0.07968045 0.10047254 Cu 40.39757659 42.11536967 42.13716159 -32.23452575 55.53537771 64.27793927 Cu 40.99623589 43.72152709 43.29927288 0.45062881 0.47306598 0.27769035