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=43.02141039673185 stress="-0.8125233285604742 0.014963315321594022 -0.02355420145645825 0.014963315321594022 -2.2680420520120412 0.02198738436725615 -0.02355420145645825 0.02198738436725615 -0.9035198864858847" free_energy=43.02141039673185 pbc="F T F" K 0.08611608 -0.04628956 0.02598936 -8.70615820 -1.92597366 -10.09331223 K 1.22329650 1.16718395 0.29874826 9.21550646 3.21539072 -9.17122110 K 1.27290972 0.16277425 1.36136659 9.42263007 -3.37266419 9.55090556 K 0.05835534 1.25646829 1.48193431 -9.93197833 2.08324713 9.71362776