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=18.388200270001533 stress="-96.99196767475388 31.39800538680653 2.3238723419596425 31.39800538680653 -84.06135196752376 5.4754191677555895 2.3238723419596425 5.4754191677555895 -67.70236569717679" pbc="F F F" Mo 0.23171545 0.18190327 -0.17816502 -18.77901272 -16.85538429 -22.18431438 Mo 1.71219253 1.42485375 0.12990665 24.10577912 24.60327989 -20.23069267 Mo 1.28220450 0.28278197 1.56210000 52.91894753 -59.71095449 27.67562780 Mo 0.13362859 1.32702941 1.57034430 -58.24571393 51.96305889 14.73937925