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=1.4052391635322725 stress="-4.573563146296367 1.5058481103017223 -0.4286639690927778 1.5058481103017223 -5.274508828522237 0.31466027518869577 -0.4286639690927778 0.31466027518869577 -3.730149771900605" pbc="F F F" Ne -0.12320595 -0.04105180 0.20259391 -1.49398090 -0.95780171 -0.93786585 Ne 1.56504129 1.20865944 -0.13449789 1.02415209 0.89306976 -1.29535410 Ne 1.28802619 0.22277084 1.68584377 2.44511627 -2.74668406 1.74784260 Ne 0.18362810 1.69581920 1.64685009 -1.97528746 2.81141601 0.48537735