3
Lattice="4.96316837477471 1.2321095645880392e-19 0.0 -2.4815841873873556 4.298229895814424 0.0 0.0 0.0 18.113660877873677" Properties=species:S:1:pos:R:3 energy=-11.626546672271246 dipole="-1.0295609136537429e-14 5.9946812823523e-15 -1.9481962632912245e-14" free_energy=-11.626546672271466 pbc="T T F"
Ba       0.00000000       0.00000000       9.05683044
Br       2.48158419       1.43274330      10.61366088
Br      -0.00000000       2.86548660       7.50000000