32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=343.2417985703599 stress="-1479.6363725324995 15.340515281545834 59.13005863924482 15.340515281545834 -1398.025645195571 -11.173983718989234 59.13005863924482 -11.173983718989234 -1431.3336407759498" pbc="F F F" Zr -0.10028026 -0.12633864 -0.03902326 -17.93436900 -38.10931064 -41.32188150 Zr 1.28219307 1.71813893 -0.23283931 15.70796655 -6.41114762 -47.11518112 Zr 1.69410236 -0.16903503 1.38201197 -41.70985133 -56.94449446 40.86204820 Zr -0.06699407 1.02725414 1.27696427 -48.16511934 15.66254471 -17.00733622 Zr 2.67834226 -0.03487808 0.22586561 36.43411108 -34.33009509 -96.38148339 Zr 4.79391194 1.27946733 0.02103145 37.91487700 -2.97448943 -59.62419566 Zr 4.27761356 0.18220204 1.39362841 50.26806955 -66.61713404 24.06963099 Zr 3.23573857 1.52724172 1.15974623 -33.16568211 37.56978736 9.96708368 Zr -0.29703668 2.84887301 0.22083292 -45.11477196 20.04568946 -24.05911756 Zr 1.52095654 4.48735431 -0.07700850 -32.68730849 44.89969162 -46.62897997 Zr 1.40698366 3.18107110 1.32641343 6.24775607 -15.79233245 5.19433182 Zr 0.13102478 4.59995250 1.77404031 -39.15248013 44.74509652 -10.42461078 Zr 3.01193751 3.45298089 -0.03568003 17.41200043 -27.04350633 -51.90958818 Zr 4.54396501 4.57236142 0.20379337 34.67188675 31.68809383 -19.68158214 Zr 4.73854596 2.76922180 1.28229695 40.87774733 11.40702074 16.65772031 Zr 2.84889072 4.68745344 1.52015752 5.44879930 44.87063697 25.92734411 Zr -0.12029223 0.27711528 2.87871118 -57.69893358 -57.82367114 42.51769243 Zr 1.25213077 1.23125112 2.71824351 39.70305814 13.13846199 21.14315251 Zr 1.63616082 -0.23570740 4.62968218 -25.62182578 -26.06823573 26.01267700 Zr 0.21980528 1.79977655 4.68543805 -22.30954130 -17.99663303 32.13596683 Zr 2.95460942 0.07327937 3.19989723 9.96855992 -43.02541762 -18.58773792 Zr 4.62961200 1.37425859 3.30441214 43.35149729 3.80217145 -10.28678985 Zr 4.26564846 -0.11492400 4.79768454 27.79020535 -31.94180998 28.14167888 Zr 2.98273691 1.36065667 4.67089611 -10.38582362 24.65488593 51.08437854 Zr -0.02988876 2.70220318 2.71755886 -55.41751989 12.73425885 15.69878020 Zr 1.35541431 4.39917148 3.35177682 7.79919666 63.80159223 -37.93245471 Zr 1.30544521 3.48565335 4.71211731 -9.04456091 -35.02742320 72.73506507 Zr -0.05031310 4.79594673 4.65710459 -40.31770780 28.62860990 19.03834490 Zr 2.70364567 2.85687199 3.19400857 19.80753616 -5.84606114 -19.65337230 Zr 4.74122900 4.52201293 2.60239126 20.90590409 22.79229627 7.36794541 Zr 4.42534241 3.18950407 4.31443107 52.67716405 -6.14977917 23.66344638 Zr 3.04376171 4.22051529 4.69273990 11.73915952 51.66070321 38.39702405