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=46.24165546111802 stress="-72.85286094418339 4.336344799398782 -6.658910681219957 4.336344799398782 -58.36755131100939 -3.581190045027242 -6.658910681219957 -3.581190045027242 -70.96829835703164" pbc="F F F" Cd 0.19178619 0.17895518 0.29140871 -28.09319646 -24.69414253 -42.40349250 Cd 1.61455359 1.53253581 0.14904689 19.12159087 20.23587995 -15.22313689 Cd 1.28091226 0.10609294 1.46603997 33.29548967 -21.29404667 34.27316590 Cd -0.19401975 1.32157598 1.51361598 -24.32388407 25.75230925 23.35346348