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=21.616344166437397 stress="-3.148114528274195 0.09712371946367399 0.24443620473865194 0.09712371946367399 -1.8882168482050694 -0.2686713866463072 0.24443620473865194 -0.2686713866463072 -2.248424886698905" free_energy=21.616344166437397 pbc="T F F" W 0.46643914 0.20288723 0.08343331 2.06604972 -18.14563641 -25.65282502 W 1.35795403 1.44809454 0.22094491 2.38949580 19.75508123 -19.09038003 W 1.73171545 0.18190327 1.32183498 0.12327992 -22.80812903 19.02657441 W 0.21219253 1.42485375 1.62990665 -4.57882543 21.19868421 25.71663064