32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=343.24179857035944 stress="-0.019971336417942142 0.00020705802939134532 0.000798105747749238 0.00020705802939134532 -0.01886979868798684 -0.00015082042596626828 0.000798105747749238 -0.00015082042596626828 -0.019319372108518876" pbc="F F F" Zr 20.89971974 20.87366136 20.96097674 -17.93436900 -38.10931064 -41.32188150 Zr 22.28219307 22.71813893 20.76716069 15.70796655 -6.41114762 -47.11518112 Zr 22.69410236 20.83096497 22.38201197 -41.70985133 -56.94449446 40.86204820 Zr 20.93300593 22.02725414 22.27696427 -48.16511934 15.66254471 -17.00733622 Zr 23.67834226 20.96512192 21.22586561 36.43411108 -34.33009509 -96.38148339 Zr 25.79391194 22.27946733 21.02103145 37.91487700 -2.97448943 -59.62419566 Zr 25.27761356 21.18220204 22.39362841 50.26806955 -66.61713404 24.06963099 Zr 24.23573857 22.52724172 22.15974623 -33.16568211 37.56978736 9.96708368 Zr 20.70296332 23.84887301 21.22083292 -45.11477196 20.04568946 -24.05911756 Zr 22.52095654 25.48735431 20.92299150 -32.68730849 44.89969162 -46.62897997 Zr 22.40698366 24.18107110 22.32641343 6.24775607 -15.79233245 5.19433182 Zr 21.13102478 25.59995250 22.77404031 -39.15248013 44.74509652 -10.42461078 Zr 24.01193751 24.45298089 20.96431997 17.41200043 -27.04350633 -51.90958818 Zr 25.54396501 25.57236142 21.20379337 34.67188675 31.68809383 -19.68158214 Zr 25.73854596 23.76922180 22.28229695 40.87774733 11.40702074 16.65772031 Zr 23.84889072 25.68745344 22.52015752 5.44879930 44.87063697 25.92734411 Zr 20.87970777 21.27711528 23.87871118 -57.69893358 -57.82367114 42.51769243 Zr 22.25213077 22.23125112 23.71824351 39.70305814 13.13846199 21.14315251 Zr 22.63616082 20.76429260 25.62968218 -25.62182578 -26.06823573 26.01267700 Zr 21.21980528 22.79977655 25.68543805 -22.30954130 -17.99663303 32.13596683 Zr 23.95460942 21.07327937 24.19989723 9.96855992 -43.02541762 -18.58773792 Zr 25.62961200 22.37425859 24.30441214 43.35149729 3.80217145 -10.28678985 Zr 25.26564846 20.88507600 25.79768454 27.79020535 -31.94180998 28.14167888 Zr 23.98273691 22.36065667 25.67089611 -10.38582362 24.65488593 51.08437854 Zr 20.97011124 23.70220318 23.71755886 -55.41751989 12.73425885 15.69878020 Zr 22.35541431 25.39917148 24.35177682 7.79919666 63.80159223 -37.93245471 Zr 22.30544521 24.48565335 25.71211731 -9.04456091 -35.02742320 72.73506507 Zr 20.94968690 25.79594673 25.65710459 -40.31770780 28.62860990 19.03834490 Zr 23.70364567 23.85687199 24.19400857 19.80753616 -5.84606114 -19.65337230 Zr 25.74122900 25.52201293 23.60239126 20.90590409 22.79229627 7.36794541 Zr 25.42534241 24.18950407 25.31443107 52.67716405 -6.14977917 23.66344638 Zr 24.04376171 25.22051529 25.69273990 11.73915952 51.66070321 38.39702405