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=179.0978284169872 stress="-0.003080571899529753 -0.0018447638492607044 0.0003638147469261013 -0.0018447638492607044 -0.00255596074169722 0.0001054891330249948 0.0003638147469261013 0.0001054891330249948 -0.0018745385488306951" pbc="F F F" Zr 35.26751244 35.52136160 34.90267880 -1.21156663 -1.29773918 -1.37047384 Cu 36.56860671 36.79881500 36.11552624 -6.83428021 -6.92780132 13.44715030 Zr 37.47786702 37.67681620 34.87988405 8.11437847 6.65803999 -11.33353648 Cu 38.89801360 39.48558102 35.62743493 -113.65426149 -90.63787578 65.17696840 Cu 37.94775631 35.46667680 38.00425225 -66.85617618 -92.12578716 -21.38537257 Cu 38.74730775 36.58772299 38.25905976 65.09012009 93.25327362 21.08107506 Cu 34.92484837 37.70640243 38.21166221 -94.05722376 -79.55029583 -7.97167507 Zr 35.97630748 38.60459308 38.29327805 91.62064705 80.26755970 3.39801879 Zr 40.02470472 34.94384435 35.12260393 -17.20431199 -9.65408780 -9.89348094 Zr 41.47108376 35.86992394 36.06094196 9.87820967 18.01261564 -0.83633554 Cu 42.66132015 37.52605128 34.93150076 -1.01269548 0.03880267 -2.63571430 Zr 43.72118770 38.27661118 36.68095516 3.65823497 -3.03083718 0.92819915 Zr 42.31129485 34.70452046 37.54070639 -0.55699498 -12.04162485 7.81667251 Zr 44.12170749 35.44312075 38.73436239 6.14469965 3.79588463 4.93675729 Cu 40.19582750 37.62986049 36.78883744 -0.23886746 1.67384581 0.00450130 Cu 41.24705666 39.57993469 38.44785551 -50.84159186 -3.30010831 39.33061289 Cu 34.78353308 40.16746169 35.79096638 0.37860893 -0.58700118 0.50035579 Cu 36.07875178 41.96297049 35.71576079 -44.00072978 -7.90135211 22.17403489 Zr 37.45284697 42.21855784 35.03005084 44.82089635 7.74489531 -20.92369803 Cu 38.78257764 43.69477129 36.92374601 -0.97577353 0.55443778 0.40095454 Cu 37.53776017 40.32181618 38.32694924 -55.74250146 -54.22518779 -7.63259194 Cu 38.59508615 41.36457661 38.45353115 55.66988929 56.21157481 7.30271125 Cu 34.90937980 43.01631224 37.30236118 -1.06974623 -0.55064164 -1.00290003 Zr 36.20354957 43.90948945 38.90614677 1.91685576 -0.45158329 0.82619826 Zr 39.84537630 40.25254060 35.09304388 111.73060418 89.39688512 -66.14356799 Cu 41.58172799 41.05517807 36.36806500 -2.29832334 -40.36714244 48.31415131 Zr 41.70930205 42.05310611 35.23591902 6.96167336 43.56508820 -47.92775908 Zr 44.14853898 43.68412477 35.90752751 -0.67204564 -0.52309431 0.40224820 Cu 42.43972545 39.64475098 37.48763196 47.96551069 4.02875419 -39.97576213 Cu 43.15947224 40.76194530 38.97321239 3.18778927 -9.99925266 -2.20602586 Cu 39.80068668 41.89602403 36.98778894 -0.00884146 0.68522443 0.22781770 Cu 41.34732277 43.28756613 38.88844447 -8.63013617 3.29320639 -3.20473285 Zr 35.18260870 35.45718749 39.94452641 -119.56662903 -75.17352808 -116.40739695 Zr 36.04637803 35.98287224 40.78610325 114.52155582 38.77063965 111.33607019 Cu 36.54092351 37.35280430 39.97434290 12.68724891 24.21511837 -12.73322714 Zr 38.72713023 38.43415617 40.93401673 -31.52744513 -43.58643217 28.25144015 Zr 36.74111304 35.45437291 42.87700050 -2.04611310 -5.54427815 5.70384441 Cu 38.27719125 36.16784914 43.81275626 5.61969602 2.91411610 3.70064730 Zr 35.11681641 37.42107915 42.00074231 -12.75179794 2.10941320 -0.17064067 Zr 35.65031214 38.85162951 43.41996357 5.09360483 10.61047666 9.92612069 Zr 39.65887116 34.91575153 39.95877121 -0.18303971 -0.38411980 -0.37928063 Zr 40.88264827 36.28283765 41.71044858 41.64701882 -59.02847982 -41.63812113 Cu 42.66825160 37.46786518 40.66809895 -38.17902525 -24.98884829 -14.61943276 Zr 43.92369928 38.29508350 41.11137603 38.95821494 25.43052363 13.12241243 Zr 42.51656605 34.64667959 42.61478638 -2.75132962 -4.29305931 -3.93574874 Cu 43.56386946 35.88393995 43.70023634 3.04462286 4.85487512 3.17531695 Zr 40.11575364 37.34558632 42.47299524 -44.62371810 48.72826921 42.43680127 Zr 41.34040093 39.02898005 43.37715892 -221.01249415 -165.32011809 195.83942785 Cu 35.24656625 40.28462450 40.14711905 -14.66436284 -43.82499064 -19.41282186 Cu 35.72422381 41.66167763 40.78426297 -24.15441858 42.90993233 34.80721259 Cu 37.24865926 41.69390911 40.22133341 37.89270647 -0.51123347 -14.26590706 Zr 38.64139130 43.34265684 40.88606456 0.14106748 1.30755853 -1.00189315 Cu 38.01803668 40.08487903 41.84792652 -3.08774927 6.05050540 4.85582696 Cu 38.23149515 41.76958888 44.08568117 -0.31221922 0.03421009 -0.41123554 Cu 34.79225833 43.38162685 42.71057427 -11.20367064 1.25023416 -9.27588753 Cu 36.19970714 43.19764164 43.81507203 11.62213704 -1.68250580 8.56782848 Zr 39.50117672 39.50916108 40.01829091 21.25718096 33.71386353 -40.21599832 Zr 41.12275870 40.66098881 40.93922129 4.89797362 10.42826406 -3.24453312 Zr 42.92720881 42.49882740 39.53650487 5.96470660 6.31657767 5.48624842 Cu 43.91115169 43.63731884 41.33766333 0.13004349 -0.01904136 1.08946913 Zr 42.11062386 39.61434150 42.72436012 218.56948366 153.66434847 -189.18947926 Zr 43.27737908 41.15343325 43.33879528 11.48798059 16.02742988 5.15472637 Zr 40.17176417 42.44223463 42.58910192 -5.82939987 -8.95483833 -8.66597344 Cu 41.00350262 43.42120396 43.81302568 7.08612023 7.96644179 10.28938313