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=2752.9985230911843 stress="-14721.902282479092 -7087.028971566501 -1262.97863111899 -7087.028971566501 -13685.009218908599 -1056.11137326704 -1262.97863111899 -1056.11137326704 -6237.187175007604" pbc="F F F"
Bk       0.26741370       0.19307059      -0.23296640   -7550.05452553   -8343.21776454   -2822.94546557 
Bk       1.55191908       1.49459105      -0.00573975    7917.23370523    8786.92973562    -620.94622156 
Bk       1.72577782       0.19035129       1.64504501    2568.97126656   -2494.04155019    1734.56382755 
Bk      -0.00698554       1.28648422       1.59275243   -2936.15044625    2050.32957911    1709.32785958