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=8.131757355476614 pbc="T T F" Ne 0.20996341 0.10662489 0.15300231 10 -22.85890153 1.51546794 -19.89905776 Ne 1.53848316 1.49028240 -0.08147842 10 3.66809614 0.65053100 -5.30726899 Ne 1.45789336 -0.11174318 1.27041603 10 25.86496937 4.74695555 20.43416167 Ne 0.19178619 1.67895518 1.79140871 10 -6.67416399 -6.91295448 4.77216509