32 Lattice="9.10576057434082 0.0 0.0 0.0 9.10576057434082 0.0 0.0 0.0 9.10576057434082" Properties=species:S:1:pos:R:3:forces:R:3 energy=-180.59270145956106 stress="32.12855093942113 -0.5533980573178567 -0.2230684918632857 -0.5533980573178567 32.91812912907831 0.4162895512223912 -0.2230684918632857 0.4162895512223912 32.84519955581158" pbc="F F F" Zr -0.07459033 -0.23094650 -0.05118273 1.15155338 1.19372251 1.13065472 Zr 1.95054530 2.40551333 0.03044127 0.16910516 -0.32295101 -0.20762442 Zr 2.02848802 0.33794986 2.12165456 -0.34819255 -0.87069555 -0.45061850 Zr -0.00963279 2.30375442 2.21121737 -0.21501964 -0.08369513 0.08220927 Zr 4.44759809 -0.03251939 -0.18150577 0.31700704 1.06380518 1.13857388 Zr 7.01110287 1.92936029 0.16175196 -1.12444311 -0.22387890 0.97906020 Zr 6.68845791 -0.09832336 2.22061175 -0.44179278 0.73075738 -0.62624585 Zr 4.31956764 2.09057703 2.20695313 1.02627389 -0.04105872 -0.66082374 Zr -0.02906507 4.74110163 0.24492662 0.35400071 -0.60484216 -0.57870363 Zr 2.04822789 6.84684664 -0.18532204 0.26941322 -0.82447829 0.74106302 Zr 2.42827518 4.46423729 2.47288895 -0.78956616 0.68788183 -1.35607383 Zr 0.02270143 6.64213835 2.02890958 0.39176177 0.58523015 0.63239712 Zr 4.42694113 4.73690772 -0.17512529 0.44144736 0.74556169 0.96731241 Zr 6.81878235 6.76514668 -0.07751362 -1.52962848 -1.22132738 1.29013535 Zr 6.98021301 4.40975796 2.38562746 -1.01050098 0.34657723 -0.34590482 Zr 4.63617403 7.04699339 2.28638807 0.66776482 -0.96376901 -0.32212541 Zr 0.21022290 -0.02973336 4.58951779 0.77726684 0.65721541 0.50109915 Zr 2.33674133 2.44626795 4.75166858 -0.94755821 -1.40686448 0.33171755 Zr 2.08412498 -0.18141921 6.84624573 -0.41353459 1.00357265 -1.05882616 Zr 0.15621120 2.29323808 6.72907691 0.61345833 -0.33200809 -0.46420586 Zr 4.78380969 -0.16328868 4.34632260 -0.22404583 0.21507105 0.54571642 Zr 6.60536303 2.04164307 4.65439993 0.16591170 0.16264785 0.17920351 Zr 6.63289760 0.10806848 7.01249149 -0.84114001 0.94777561 -1.06712188 Zr 4.64805330 2.46743994 6.79149495 0.41875619 -0.32528055 0.13931746 Zr 0.06106614 4.71946131 4.66089028 0.04054234 0.21104872 0.38657567 Zr 1.93875171 6.96032382 4.35758734 0.11208747 -0.28330569 0.52874303 Zr 2.18067015 4.80095074 6.81493452 -0.17208398 0.51868486 -0.28373993 Zr -0.11611944 6.97173386 6.80441313 1.05787250 -1.06794314 -1.05801106 Zr 4.30471627 4.31751267 4.43239221 2.02363815 1.45992892 0.77943277 Zr 6.74529667 7.04794825 4.42653109 -1.17649453 -1.12185145 0.32789212 Zr 7.00436505 4.72964471 6.78739285 -1.48658968 0.46965792 -1.00058663 Zr 4.79950256 6.96024093 6.82134421 0.72272963 -1.30518941 -1.20049191