4 Lattice="3.8848541637574927 -5.486255887157562e-18 0.0 8.487366396607724e-17 3.8876048841697832 0.0 1.538199585470185e-16 0.0 17.78751582" Properties=species:S:1:pos:R:3 energy=-23.477192276512074 pbc="T T F" Ti 0.00000000 -0.00009592 8.89371884 Se -0.00000000 1.94138545 10.64656293 Ti 1.94242709 1.94352736 8.89377315 Se -0.00000000 1.94575020 7.14092228