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=738.6131853957614 stress="-49.61718086813512 5.122613085343721 0.3831915044786085 5.122613085343721 -25.78673924205075 0.24926209048232773 0.3831915044786085 0.24926209048232773 -25.79029683252356" free_energy=738.6131853957614 pbc="T F F"
I       2.82514186       0.11524669       0.22725014      33.84190225    -281.93354598    -254.88453424 
I       1.59401749       1.24236599       0.23446333     -22.60549529     275.30187655    -264.87438716 
I       1.26566576       0.07146234       1.59856702      80.58935417    -306.33320613     264.86166203 
I       0.23939028       1.30557629       1.54165967     -91.82576113     312.96487556     254.89725937