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=22.620447863894864 stress="-0.6905578783249494 0.06213581676849383 0.01834536596636785 0.06213581676849383 -0.7562447955840206 0.06568947772618172 0.01834536596636785 0.06568947772618172 -1.3881040477403663" pbc="F F T" Na 0.05835534 0.20070203 -0.29657041 -6.75654708 -6.52115431 0.16027764 Na 1.40085166 1.49793547 0.28187239 6.74921547 6.98402694 -1.62508688 Na 1.51001192 0.10170120 1.23292258 6.35089922 -7.34192270 1.17322707 Na 0.00082602 1.74624097 1.49815252 -6.34356762 6.87905007 0.29158217