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:forces:R:3 energy=0.31689612997033795 stress="-1.400657132190958 0.24805858454684465 0.12968640709396584 0.24805858454684465 -1.6967083503755664 -0.5835653936264581 0.12968640709396584 -0.5835653936264581 -1.7120733070183394" pbc="F F F" Ne -0.27713580 -0.06141927 -0.24794580 -0.26852886 -0.61483483 -0.64238395 Ne 1.65488783 1.55988540 -0.29754255 0.36845888 0.21430280 -0.38845019 Ne 1.66431082 -0.18574270 1.48844065 0.44115269 -0.48189426 0.18469720 Ne 0.03277713 1.39971974 1.37366136 -0.54108272 0.88242628 0.84613694