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:Z:I:1:forces:R:3 energy=42.051112216 pbc="T F T" Cd 0.01646202 0.34984450 0.04375058 48 -8.62957517 -39.45522376 -5.85676178 Cd 1.35687199 1.47664413 0.12559374 48 13.52538736 35.34703854 -6.85176143 Cd 1.52201293 0.04745036 1.42534241 48 0.32087388 -31.34764107 7.80959518 Cd -0.00150449 1.31443107 1.54376171 48 -5.21668606 35.45582628 4.89892804