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=42.97433500421206 stress="-0.8125203544761028 0.014962230095636924 -0.023553959467277556 0.014962230095636924 -2.2663384439954046 0.021994800140018995 -0.023553959467277556 0.021994800140018995 -0.9035157728535587" free_energy=42.97433500421206 pbc="F T F" K 0.08611608 -0.04628956 0.02598936 -8.70612446 -1.92597673 -10.09327063 K 1.22329650 1.16718395 0.29874826 9.21547411 3.21557973 -9.17117307 K 1.27290972 0.16277425 1.36136659 9.42259421 -3.37282128 9.55085316 K 0.05835534 1.25646829 1.48193431 -9.93194387 2.08321828 9.71359054