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:Z:I:1:forces:R:3 energy=7559.326366841053 pbc="F T T" Re -0.03433983 -0.21663495 0.11686081 75 -2676.71795415 7360.45057552 -5644.76976699 Re 1.77155237 1.43607246 -0.14986176 75 6292.67002280 20184.61017142 20308.70982840 Re 1.51315282 0.20278969 1.70646671 75 -169.41094075 -21918.08297624 -20028.58784963 Re 0.05397464 1.53843313 1.47084216 75 -3446.54112791 -5626.97777070 5364.64778822