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=20.22678974953171 stress="-1.3207954392061672 -0.22018157991530496 -0.0813277897312373 -0.22018157991530496 -1.9935151709045356 0.1211233192837394 -0.0813277897312373 0.1211233192837394 -1.2135844711681376" pbc="F T F" Na 0.04852473 0.01848935 0.13661615 -16.76226527 -1.38413296 -14.29491821 Na 1.40480033 1.28303047 0.11041876 11.52665212 3.43736423 -12.11811355 Na 1.26735611 -0.16466555 1.24148635 16.78858289 1.15139441 14.93214772 Na 0.08611608 1.53369179 1.52598936 -11.55296973 -3.20462567 11.48088404