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=48.57266688522501 stress="-7.465875935629803 -0.4729450657957436 -0.39790988139910416 -0.4729450657957436 -4.667157505924884 0.2049052072683874 -0.39790988139910416 0.2049052072683874 -5.083492989735039" pbc="T F F" Zr 0.09995250 0.26120756 0.01193751 15.48315399 -52.62468434 -42.70700230 Zr 1.75226748 1.46431997 0.04396501 -27.70447354 48.82516379 -43.69027064 Zr 1.57236142 0.20379337 1.73854596 -31.17472546 -58.77721941 38.18946319 Zr -0.23077820 1.28229695 1.52031036 43.39604502 62.57673996 48.20780975