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=-29.0552702676 stress="-34.421231780383046 2.7892616495269498 2.547131327819635 2.7892616495269498 -27.08568244964481 0.15460738209259176 2.547131327819635 0.15460738209259176 -37.85255241227994" pbc="F F F" Mo 0.23171545 0.18190327 -0.17816502 -30.51606736 -28.55223135 -44.66923787 Mo 1.71219253 1.42485375 0.12990665 42.84949625 35.33924615 -36.30378489 Mo 1.28220450 0.28278197 1.56210000 46.65289973 -54.47211755 46.09211391 Mo 0.13362859 1.32702941 1.57034430 -58.98632861 47.68510275 34.88090885