4 Lattice="5.648179761359578 -1.2659668767375126e-18 0.0 1.6766111288434655e-18 5.648179761359578 0.0 0.0 0.0 15.000000005056277" Properties=species:S:1:pos:R:3 energy=-13.421365432395612 dipole="-1.2574762808143046e-14 -6.245326742614636e-16 -1.1535913333113147e-08" free_energy=-13.425329118879585 pbc="T T F" In 0.00000000 -0.00000000 7.50000000 In 2.82408988 2.82408988 7.50000001 Se 2.82408988 -0.00000000 7.50000000 Se 0.00000000 2.82408988 7.50000000