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=2.43053734724 pbc="F F T" Ne -0.09278361 -0.15071534 -0.09136166 10 -1.17146028 -0.66305530 -0.57614414 Ne 1.68220204 1.39362841 0.33569107 10 1.87960692 6.75250565 -4.58233445 Ne 1.52724172 0.03658906 1.20296332 10 0.41736386 -6.83718647 4.60604865 Ne -0.13918948 1.72083292 1.28984966 10 -1.12551050 0.74773612 0.55242994