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=3518.7056530061986 stress="-301.0014933705686 -81.82909142653068 26.363089354646338 -81.82909142653068 -700.2510623880443 -265.60541686499795 26.363089354646338 -265.60541686499795 -671.4561511052731" pbc="T F T"
I       0.23652178       0.21916660       0.14243388   -5162.43057532   -4529.15146381    2141.04626227 
I       1.24907764       1.46602824      -0.28783919    5187.64613560   12463.89039777    7799.53631432 
I       1.23687207       0.27094185       1.71378766    2857.21230862  -10491.70717144   -8560.21336724 
I       0.28007684       1.74802510       1.29557502   -2882.42786890    2556.96823748   -1380.36920936