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=22.626244815911846 stress="-0.6905585015221699 0.062135949550415515 0.018346185345455672 0.062135949550415515 -0.7562454901797403 0.06568750393890388 0.018346185345455672 0.06568750393890388 -1.3882934247169498" free_energy=22.626244815911846 pbc="F F T" Na 0.05835534 0.20070203 -0.29657041 -6.75655250 -6.52115976 0.16026039 Na 1.40085166 1.49793547 0.28187239 6.74922072 6.98403224 -1.62508405 Na 1.51001192 0.10170120 1.23292258 6.35090571 -7.34192978 1.17321045 Na 0.00082602 1.74624097 1.49815252 -6.34357393 6.87905730 0.29161321