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=3.29026560336 pbc="F T F" Ne -0.05388404 -0.19246836 0.09055128 10 -2.53508205 -0.99282490 -1.13041195 Ne 1.32230844 1.17765229 -0.08303344 10 2.50923398 1.09729592 -2.37933460 Ne 1.43858073 -0.02208018 1.65488783 10 5.97665591 -4.99038710 1.28353734 Ne 0.35379734 1.20245745 1.66431082 10 -5.95080785 4.88591609 2.22620921