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=28.541555582781868 stress="-6.5551568190030425 -0.06872409141379544 -0.11714445647100008 -0.06872409141379544 -4.353970859628354 -0.21029252430595063 -0.11714445647100008 -0.21029252430595063 -5.169631562831051" pbc="T F T" Mo -0.02432459 0.06329927 -0.06254558 -20.34752410 -36.52886943 32.99166473 Mo 1.27846858 1.49451428 -0.15873180 24.17960220 44.58143965 45.53622805 Mo 1.34140700 0.09073906 1.77219963 17.35818344 -43.08625449 -41.30874887 Mo -0.06618674 1.63132919 1.75978669 -21.19026153 35.03368428 -37.21914391