4
Lattice="6.319853006667847 1.3290842236654838e-18 0.0 3.7999108146844844e-16 6.319853006667847 0.0 -2.4537145660250946e-17 2.1533140096994324e-37 19.737615433949866" Properties=species:S:1:pos:R:3 energy=-12.045966886394368 pbc="T T F"
Br       0.00000000       0.00000000      10.63817403
Br       3.15992650       3.15992650       9.09941353
Ba       3.15992650       0.00000000       9.86881023
Ba       0.00000000       3.15992650       9.86881023