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=51.152513406640985 stress="-136.6162260636515 12.8130489991875 -23.478615303922204 12.8130489991875 -115.14089306870676 -12.067393029463986 -23.478615303922204 -12.067393029463986 -141.11213635730377" pbc="F F F" Zr 0.19178619 0.17895518 0.29140871 -56.69538896 -49.89181132 -90.06917869 Zr 1.61455359 1.53253581 0.14904689 31.16033417 37.28525415 -25.19244463 Zr 1.28091226 0.10609294 1.46603997 69.24651000 -41.35621733 70.36949665 Zr -0.19401975 1.32157598 1.51361598 -43.71145521 53.96277450 44.89212667