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=29.688231968875932 stress="-0.7407176349523096 0.022152264696879836 -0.02701827583172663 0.022152264696879836 -1.7809113746067993 0.00716162811504483 -0.02701827583172663 0.00716162811504483 -0.7532327723488953" free_energy=29.688231968875932 pbc="F T F" Na 0.13661615 -0.09519967 0.11041876 -8.93768329 -1.02244272 -7.32162132 Na 1.26735611 1.33533445 0.08611608 7.05129210 1.35748623 -9.37258181 Na 1.53369179 0.02598936 1.22329650 9.49059897 -1.68327839 6.98070763 Na 0.29874826 1.27290972 1.38090187 -7.60420777 1.34823488 9.71349550