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=2412.6474663135677 stress="-6410.248257630912 -455.2534357402967 -1035.0396412725165 -455.2534357402967 -13429.592674703068 3186.786215561774 -1035.0396412725165 3186.786215561774 -10687.073493856275" pbc="F F F"
Bk      -0.06007409       0.04922453       0.27756747   -2755.31041307   -3207.28810328   -3520.01755430 
Bk       1.61030143       1.37813981       0.27818949    1660.70093001    6503.05912135   -4942.14995061 
Bk       1.66883339      -0.11864975       1.45044332    2084.11919222   -5968.02609642    5431.96077321 
Bk      -0.09342881       1.46589318       1.70292632    -989.50970916    2672.25507835    3030.20673170