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=-11.733714439296818 stress="0.7019875502627294 -0.24290691330263361 0.0484332195438336 -0.24290691330263361 1.1126582520956578 0.24556444804084596 0.0484332195438336 0.24556444804084596 0.840097121370749" free_energy=-11.733714439296818 pbc="F T F" C 0.11041876 2.76735611 0.08611608 7.32076775 -1.89989556 9.26858294 C 1.53369179 1.52598936 0.29874826 -6.74371335 8.31582884 9.57151545 C 1.27290972 2.80092052 1.36136659 -7.72757817 -4.62000151 -13.10065418 C 0.05835534 1.24645637 1.48193431 7.15052377 -1.79593178 -5.73944421