3
Lattice="4.692305965939192 0.0 0.0 -2.346152982969596 4.063656168832619 0.0 0.0 0.0 18.674373957794884" Properties=species:S:1:pos:R:3 energy=-11.294692888049523 pbc="T T F"
Ba       0.00000000       0.00000000       9.33718698
Br       2.34615298       1.35455206      11.17437396
Br       2.34615298       1.35455206       7.50000000