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=21.009344310450953 stress="-1.7201828325666833 -0.04444717364168488 0.011611887282717849 -0.04444717364168488 -2.1099647789283904 0.29391070634655764 0.011611887282717849 0.29391070634655764 -2.16326592010061" free_energy=21.009344310450953 pbc="F F T" W 0.20070203 0.28187239 0.21948316 -19.61093719 -17.22450810 7.62283133 W 1.48453339 1.60170120 2.73306216 20.68709969 21.31570501 -0.36345795 W 1.21904386 0.00082602 1.74624097 18.42356518 -24.53641455 -0.24684349 W 0.14302402 1.35498893 1.61042859 -19.49972768 20.44521764 -7.01252990