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=58.24124199544972 stress="-3.217493208341431 -0.17584096481453695 0.30708499549184104 -0.17584096481453695 -4.293014691728586 -0.13479225959400487 0.30708499549184104 -0.13479225959400487 -3.5497856743175356" free_energy=58.24124199544972 pbc="F T F" W 0.17858111 0.08352372 0.26111147 -35.37247091 -11.07280143 -37.69117856 W 1.72232616 1.47927008 0.19736496 35.83819416 9.24558996 -32.78368143 W 1.32128623 0.13856038 1.49965461 30.28867030 -9.30619040 33.83967766 W 0.27820060 1.28858747 1.67621204 -30.75439356 11.13340187 36.63518233