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=215440.41660436842 stress="-954053.7185347355 307542.38668478216 35678.19984481938 307542.38668478216 -829743.5305357331 231843.15750476136 35678.19984481938 231843.15750476136 -818448.0862543173" pbc="F F F" Ra -0.01705132 -0.18141081 0.02407640 -70541.76350234 -190715.35322046 -176483.31263132 Ra 1.36775208 1.42513633 0.16460595 193737.00916936 310440.12885346 -407862.03269931 Ra 1.32991535 0.24998685 1.59018627 445185.19207933 -504231.86188956 412195.29280587 Ra -0.16856328 1.24517220 1.36140761 -568380.43774635 384507.08625657 172150.05252476