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=27.86202044822614 stress="-2.8864846040009766 -0.5948234457181134 -0.45596022526049795 -0.5948234457181134 -3.99727498759014 -0.33819974409582104 -0.45596022526049795 -0.33819974409582104 -4.0852401126511095" free_energy=27.86202044822614 pbc="F T T" W 0.23171545 0.18190327 2.82183498 -25.05662371 -12.40233489 -9.84247598 W 1.71219253 1.42485375 0.12990665 39.37870709 9.67149712 3.18673128 W 1.28220450 0.33130671 1.56210000 15.87270688 1.74970044 7.17922555 W 0.13362859 1.38176440 1.48595498 -30.19479026 0.98113733 -0.52348085