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=19.074598087433806 stress="-3.8631403178730266 0.3471292574797404 -0.13470533643425076 0.3471292574797404 -2.6740774189928116 0.2604143327091134 -0.13470533643425076 0.2604143327091134 -3.9493420190202797" free_energy=19.074598087433806 pbc="T F T" W 0.17895518 0.29140871 0.20529265 10.55056755 -21.48564063 6.19293699 W 1.53253581 1.64904689 2.71472551 -12.15485869 28.93318138 -4.72333734 W 1.73742213 0.01361598 1.61177374 -3.28384962 -27.35511254 -0.80698136 W 2.70160054 1.56329927 1.22250176 4.88814075 19.90757179 -0.66261828