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=408.4051875464864 stress="-0.025546577568521366 -0.00019783690340756914 -7.375142494584257e-05 -0.00019783690340756914 -0.025470146817559065 0.00020355738627456655 -7.375142494584257e-05 0.00020355738627456655 -0.02575884449618485" pbc="F F F" Zr 21.00910691 20.85287712 20.98481612 -25.60238527 -23.79015116 -30.91262458 Zr 22.57793106 22.57400254 20.91613300 -5.61721069 -10.83549220 -76.17921093 Zr 22.29930145 21.06018015 22.47815624 13.49505941 -76.15384608 -24.40492028 Zr 21.12421959 22.57216330 22.38011746 -81.93693700 -16.99610918 -16.50582224 Zr 24.18893709 21.12955945 21.09509663 -12.66779156 -51.71774665 -48.39282256 Zr 25.59938857 22.43349699 21.06625128 43.94510854 12.54069501 -49.26430286 Zr 25.55015576 21.02721290 22.47275758 49.99481038 -55.43483033 -6.91786183 Zr 23.89005856 22.56786064 22.52895765 29.43181409 -20.20511120 -34.26786639 Zr 20.86693748 23.94071402 21.03301694 -42.84398315 16.53001673 -47.01243841 Zr 22.50346678 25.58250876 21.11290039 -18.23040125 49.29645019 -46.88098802 Zr 22.46433160 24.09441578 22.49977937 -11.95375507 26.80659969 -34.22196583 Zr 21.02156983 25.47416092 22.73718298 -59.49225979 50.96303917 -15.45735612 Zr 23.98333621 24.27528762 20.95147669 18.31151456 -5.45343556 -64.68104266 Zr 25.55169427 25.62379583 21.05509151 28.85293487 25.29921863 -20.29849557 Zr 25.46259098 23.87331761 22.49351244 67.55526182 17.58932025 -12.37810343 Zr 23.97428943 25.59421548 22.58530650 23.05684955 68.62406893 -7.15893869 Zr 21.14584904 20.98431501 23.89947157 -56.60635749 -46.25264561 19.50926066 Zr 22.51925543 22.57491495 23.87397694 -21.16789567 -30.00387321 44.36722572 Zr 22.50710999 20.89373925 25.44738373 -9.01742178 -38.26736118 42.02494052 Zr 20.93996902 22.64047848 25.41232294 -38.47992811 -15.27160335 48.48012712 Zr 24.04593560 20.93837987 23.85277123 -0.48033903 -72.55978639 5.60758842 Zr 25.64230356 22.25769464 23.88386225 63.53570083 10.27352342 25.13150383 Zr 25.38857843 20.87007445 25.46599447 25.61646677 -27.87184441 31.47374415 Zr 23.91371559 22.39773141 25.35470310 16.62400832 -7.95640192 68.80664782 Zr 21.05946971 23.86478469 23.91942760 -77.65248410 14.41129729 18.13275541 Zr 22.50208894 25.61505022 23.92913532 -0.03574172 69.90632945 19.21763413 Zr 22.62396041 24.08281827 25.58914474 -11.03066511 -2.33154451 67.12451153 Zr 21.10591445 25.39650912 25.36620992 -37.18335722 31.23975061 32.95654205 Zr 24.03627689 24.00564616 24.00629391 27.67047100 19.90396441 23.61163176 Zr 25.58455669 25.40227050 24.03785877 46.91294633 47.61937647 -1.89702359 Zr 25.47794369 24.03945402 25.42340938 44.09088688 -10.84785775 47.93376974 Zr 23.93447049 25.52368566 25.51619392 10.90508066 50.94599042 42.45390115