1
Lattice="2.5125 2.5125 2.5125 2.5125 -2.5125 -2.5125 -2.5125 2.5125 -2.5125" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1.8283274205089197 stress="-0.002762062048098911 -3.046030060968455e-19 1.0369464037339422e-19 -3.046030060968455e-19 -0.0027620620480989103 -2.7219843098015983e-19 1.0369464037339422e-19 -2.7219843098015983e-19 -0.0027620620480989107" pbc="T T T"
Ba       0.00000000       0.00000000       0.00000000      -0.00000000       0.00000000      -0.00000000