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=34.0802064487 stress="-11.831624690315746 -0.7269071543996063 -0.7662915577527483 -0.7269071543996063 -12.72092751790247 0.4586478652660422 -0.7662915577527483 0.4586478652660422 -13.131300548610868" pbc="F F F" Na 0.23624620 -0.23677542 -0.17613075 -22.23939274 -22.51692670 -17.49062164 Na 1.40022344 1.30134800 -0.24536316 15.87589583 25.51528873 -18.53586059 Na 1.59325006 -0.06073670 1.31382609 23.02992387 -17.09948999 20.97600751 Na 0.00882294 1.27434801 1.60878037 -16.66642696 14.10112796 15.05047472