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=24.05279272421154 stress="-1.3281101932207837 -0.023873158551995313 -0.05592042567184143 -0.023873158551995313 -1.36457663459027 0.23543157194229447 -0.05592042567184143 0.23543157194229447 -2.0116149160534262" free_energy=24.05279272421154 pbc="F F T" F 0.19736496 0.13856038 2.99605935 -14.71032705 -10.93802247 -0.76494967 F 1.77820060 1.28858747 0.17621204 13.42854168 14.58810881 -4.09902299 F 1.63215382 0.03922890 1.37689326 9.72531426 -14.99017208 5.53129227 F 0.11719846 1.77680686 1.66192007 -8.44352890 11.34008574 -0.66731961