4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-11.899127513689255 stress="-33.832127571804975 3.6994034560041262 4.148290433354116 3.6994034560041262 -31.268376100793777 3.2376387165387364 4.148290433354116 3.2376387165387364 -30.41211435695401" pbc="F F F" Zr 0.10170120 -0.12206635 -0.28095614 -4.96719806 -7.37630681 -8.15329505 Zr 1.50082602 1.74624097 0.14302402 12.21496920 9.63112678 -10.66931794 Zr 1.35498893 0.11042859 1.70947124 9.97076683 -11.82145260 10.28132966 Zr -0.14487149 1.55280714 1.41333883 -17.21853797 9.56663264 8.54128333