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=2293.6628743843744 stress="-9940.705223850977 1976.5625029080618 -1248.2668025846242 1976.5625029080618 -8979.992420667682 2160.4018420894627 -1248.2668025846242 2160.4018420894627 -10126.015978407773" pbc="F F F"
Bk      -0.16790711       0.29724103      -0.04783611   -3861.84134238    -695.28235089   -3496.79667791 
Bk       1.72947203       1.45067166      -0.14451667    1751.19018418    3395.71927518   -3240.42150833 
Bk       1.31426185       0.13008898       1.26063525    4735.83614679   -6023.22580973    4789.50448863 
Bk      -0.01505091       1.51804421       1.77265772   -2625.18498859    3322.78888544    1947.71369761