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=48.8847112905 stress="-17.6048816338955 -0.033962682176318114 0.6248768670495857 -0.033962682176318114 -20.3955690300645 -0.4434723260420017 0.6248768670495857 -0.4434723260420017 -20.81437874275127" pbc="F F F" Na 0.27852494 -0.01973705 -0.04699380 -21.12362024 -33.15234533 -32.60694345 Na 1.43918063 1.41995536 -0.05189122 28.45318553 26.48387670 -19.09806808 Na 1.30703665 -0.12227646 1.61434322 23.18138946 -21.73370339 26.42890746 Na -0.01224415 1.24079411 1.28715336 -30.51095475 28.40217203 25.27610407