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=32.4003866922 stress="-12.043100899306543 -0.060390618293434 -1.0595653820255455 -0.060390618293434 -11.064283269426173 -0.36997269198277793 -1.0595653820255455 -0.36997269198277793 -9.377991869124024" pbc="F F F" Na -0.27190523 -0.11651820 0.28475322 -23.97013826 -16.51016152 -20.41134328 Na 1.48341465 1.60989136 -0.04412655 11.40465494 15.12839789 -15.70736651 Na 1.24267548 0.06729228 1.32607419 27.00163599 -17.90909116 21.26133002 Na -0.22671410 1.57022621 1.60537101 -14.43615266 19.29085480 14.85737977