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=36.2259948355902 stress="-4.945721187582495 0.47109976222552924 0.376597611308356 0.47109976222552924 -3.3727768301191 0.02166524251088449 0.376597611308356 0.02166524251088449 -3.179344248652004" pbc="T F F" Zr 0.04396501 0.07236142 0.20379337 10.59287092 -40.24746806 -34.20172565 Zr 1.73854596 1.26922180 0.02031036 -0.83872565 31.53012949 -36.82203339 Zr 1.68745344 0.02015752 1.37970777 -0.75556031 -30.87100632 36.28564753 Zr 0.41327610 1.37871118 1.25213077 -8.99858496 39.58834490 34.73811151