4 Lattice="4.0742448149687736 -6.937680409065838e-18 0.0 -2.0371224074843868 3.528399510999987 0.0 0.0 0.0 20.367306183268767" Properties=species:S:1:pos:R:3 energy=-14.641769592321385 dipole="1.5446961611309724 -0.8918307444451677 3.2476623587433105e-09" free_energy=-14.64176961332951 pbc="T T F" In 2.03712241 1.17613317 8.77653025 In 2.03712241 1.17613317 11.59077596 Se 0.00000000 2.35226634 7.50000000 Se 0.00000000 2.35226634 12.86730618