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=29.68241612670196 stress="-0.7407173737159338 0.022151998120921754 -0.02701824997919427 0.022151998120921754 -1.7807677137522901 0.007161602978766791 -0.02701824997919427 0.007161602978766791 -0.7532325089987458" free_energy=29.68241612670196 pbc="F T F" Na 0.13661615 -0.09519967 0.11041876 -8.93768009 -1.02243964 -7.32161839 Na 1.26735611 1.33533445 0.08611608 7.05128993 1.35748147 -9.37257889 Na 1.53369179 0.02598936 1.22329650 9.49059538 -1.68326843 6.98070516 Na 0.29874826 1.27290972 1.38090187 -7.60420522 1.34822660 9.71349212