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=2.4854487249930037 pbc="F T F" Ne 0.06210000 0.13362859 -0.17297059 10 -2.88272518 -1.20947392 -2.69438485 Ne 1.57034430 1.54852473 0.05473499 10 2.56357644 2.24707905 -3.78520019 Ne 1.41561068 0.13661615 1.40480033 10 4.48758747 -4.15195003 4.63937718 Ne -0.12280496 1.29869006 1.61041876 10 -4.16843873 3.11434490 1.84020786