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=42.96842122413984 stress="-0.812520092496292 0.014962031749474738 -0.02355394208231962 0.014962031749474738 -2.2661333561326846 0.021994591431352874 -0.02355394208231962 0.021994591431352874 -0.9035154624507635" free_energy=42.96842122413984 pbc="F T F" K 0.08611608 -0.04628956 0.02598936 -8.70612158 -1.92596822 -10.09326654 K 1.22329650 1.16718395 0.29874826 9.21547130 3.21556237 -9.17117074 K 1.27290972 0.16277425 1.36136659 9.42259102 -3.37280041 9.55085045 K 0.05835534 1.25646829 1.48193431 -9.93194073 2.08320626 9.71358683