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=2.4856279871205524 pbc="F T F" Ne 0.06210000 0.13362859 -0.17297059 10 -2.88272544 -1.20947246 -2.69438547 Ne 1.57034430 1.54852473 0.05473499 10 2.56357679 2.24707886 -3.78520049 Ne 1.41561068 0.13661615 1.40480033 10 4.48758799 -4.15194854 4.63937746 Ne -0.12280496 1.29869006 1.61041876 10 -4.16843934 3.11434214 1.84020850