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=3.4416517293 pbc="T F F" Ne 0.34880868 -0.17034592 0.24032542 10 -3.39965714 -2.45093475 -5.10881191 Ne 1.28220450 1.78278197 0.14821608 10 2.96663151 1.79621153 -4.11303097 Ne 1.35692509 0.12577768 1.57034430 10 4.39521464 -1.45905122 5.24639545 Ne 0.10688008 1.55473499 1.41561068 10 -3.96218901 2.11377444 3.97544742