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=18.365951943138967 stress="-1.179075968993286 -0.21364275409524305 0.29888277725887796 -0.21364275409524305 -0.9584439031108432 0.2936571847676727 0.29888277725887796 0.2936571847676727 -0.8165553556510383" pbc="F T T" Na 0.22094491 0.23171545 0.18190327 -10.89807720 0.29385061 -3.26134832 Na 1.32183498 1.71219253 -0.07514625 10.67945636 -11.06551054 7.55922151 Na 1.62990665 -0.21779550 1.78278197 12.82866772 12.54063330 -10.89062997 Na 0.06210000 1.70397289 1.32702941 -12.61004687 -1.76897337 6.59275677