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=732.9804244635219 stress="-27.18864640622598 0.37829737483919595 -0.8097257557608913 0.37829737483919595 -48.076639343732865 1.7300194235608033 -0.8097257557608913 1.7300194235608033 -25.220886211867924" free_energy=732.9804244635219 pbc="F T F"
I       0.18723373       2.95042521       0.04684578    -230.99220209     -77.73759300    -282.88482436 
I       1.43053312       1.22809477       0.28475322     308.90437462     121.90675213    -280.70820929 
I       1.48341465       0.10989136       1.45587345     240.57807172    -117.98297662     309.62374112 
I       0.06729228       1.32607419       1.27328590    -318.49024426      73.81381749     253.96929253