3
Lattice="5.380802414102982 2.5830113040787592e-18 0.0 -1.5185874906719602e-17 5.380801764181729 0.0 -5.70189560686992e-17 0.0 19.73761543394987" Properties=species:S:1:pos:R:3 energy=-11.062693624201572 pbc="T T F"
Ba      -0.00000000      -0.00000000       9.86880779
Br      -0.00000000       2.69040088      11.43842634
Br       2.69040121      -0.00000000       8.29919012