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=15.7486957024 stress="-6.55577831179492 0.03338159435260146 -0.004343872702743032 0.03338159435260146 -6.591790335774514 -0.3681046032615175 -0.004343872702743032 -0.3681046032615175 -6.82627130474901" pbc="F F F" Li -0.02006342 0.12986364 0.27479266 -11.67290734 -12.78764457 -9.01850994 Li 1.40389038 1.64223686 -0.09307654 8.98170447 9.57479853 -11.09079977 Li 1.73257448 0.15839896 1.71468373 12.57506706 -9.66937864 7.22708614 Li 0.22428872 1.55719733 1.77027626 -9.88386420 12.88222468 12.88222357