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=16.862063797583275 stress="-2.7738541713168496 1.2041352299696895 -0.3610944671444132 1.2041352299696895 -2.8747150174075795 -0.3879722198531097 -0.3610944671444132 -0.3879722198531097 -2.1352533431209544" pbc="T F F" Ne 0.15839933 0.09073906 0.27219963 -11.10256651 -27.69621521 -31.28219347 Ne 1.43381326 1.45316417 0.25978669 11.99299812 10.37745306 -12.69726454 Ne 1.22592512 0.18365717 1.70288723 42.95834850 -38.30949783 22.68121950 Ne 0.08343331 1.29585403 1.44809454 -43.84878011 55.62825998 21.29823851