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=2.4868056490598716 pbc="F T F" Ne 0.06210000 0.13362859 -0.17297059 10 -2.88273532 -1.20946405 -2.69439230 Ne 1.57034430 1.54852473 0.05473499 10 2.56358833 2.24708376 -3.78520899 Ne 1.41561068 0.13661615 1.40480033 10 4.48759197 -4.15193983 4.63938689 Ne -0.12280496 1.29869006 1.61041876 10 -4.16844498 3.11432012 1.84021439