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=28.2164345304 stress="-12.041847816721294 -0.3388633178780978 -1.4425096031079676 -0.3388633178780978 -13.576855591924554 0.3438616601017993 -1.4425096031079676 0.3438616601017993 -13.951533942681051" pbc="F F F" Li 0.17230680 0.12659488 0.04311643 -21.86262809 -17.79042175 -22.20425605 Li 1.24650446 1.63311255 0.00743936 14.17593600 21.07933814 -13.00792203 Li 1.30175050 0.07094765 1.34738753 21.75630008 -15.78141195 20.70724755 Li -0.11470747 1.47076775 1.65075815 -14.06960799 12.49249556 14.50493054