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:Z:I:1:forces:R:3 energy=88.4109403707 pbc="F T T" Mo -0.25271761 -0.01806569 0.16625962 42 -43.50141840 -13.07820922 -35.66924656 Mo 1.70070203 1.20342959 -0.09914834 42 56.46424507 84.85167747 -17.18890658 Mo 1.49793547 0.42489640 1.36500085 42 65.35409187 -123.47159103 21.28778133 Mo 0.09496198 1.45682971 1.43074079 42 -78.31691854 51.69812278 31.57037181