4 Lattice="3.8600711409654056 9.796154898309415e-19 0.0 -3.2163044065408014e-18 3.8600711534705683 0.0 6.256320609813359e-18 0.0 18.2795238" Properties=species:S:1:pos:R:3 energy=-29.744498940203002 dipole="-6.18659158958675e-08 -6.186591485022184e-08 3.893297564682322e-10" free_energy=-29.764598239578014 pbc="T T F" Nb 0.00000000 0.00000000 9.13976188 Nb 1.93003557 1.93003557 9.13976190 Se -0.00000000 1.93003557 7.28505555 Se 1.93003557 0.00000000 10.99446823