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=87.4574265262 pbc="F T T" Mo -0.25271761 -0.01806569 0.16625962 42 -43.48498785 -13.06345603 -35.69072665 Mo 1.70070203 1.20342959 -0.09914834 42 56.44830267 84.86193353 -17.17583781 Mo 1.49793547 0.42489640 1.36500085 42 65.34252575 -123.47340992 21.29255725 Mo 0.09496198 1.45682971 1.43074079 42 -78.30584057 51.67493242 31.57400722