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=18.47954066480981 stress="-36.621548232913014 3.2051600266983726 -6.005977725205156 3.2051600266983726 -30.258244037486932 -2.984240935951231 -6.005977725205156 -2.984240935951231 -37.5996265034051" pbc="F F F" Na 0.19178619 0.17895518 0.29140871 -15.13733742 -13.06822518 -23.81264543 Na 1.61455359 1.53253581 0.14904689 8.51712036 9.89763329 -6.87911321 Na 1.28091226 0.10609294 1.46603997 18.34510738 -10.89132027 18.73606263 Na -0.19401975 1.32157598 1.51361598 -11.72489031 14.06191216 11.95569600