4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=66.32955638369168 stress="-4.400462129452283 -0.07396894871574239 -0.021331121148940972 -0.07396894871574239 -7.3338996661483105 -0.1976392297928614 -0.021331121148940972 -0.1976392297928614 -3.4704635394171883" free_energy=66.32955638369168 pbc="F T F" Se 0.26235339 2.84838096 0.21005355 -38.25353419 13.76797039 -42.63657452 Se 1.71211731 1.49344861 0.29594673 42.51070215 -19.31179766 -43.75702970 Se 1.65710459 2.71094383 1.35687199 40.32280409 21.26727765 46.50007062 Se 0.24122900 1.52201293 1.31634348 -44.57997204 -15.72345038 39.89353360