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=13269.6293134108 pbc="F T T" Mo 0.15036663 -0.15011460 -0.16816766 42 -13333.58309362 3127.57562356 10236.24915025 Mo 1.38607992 1.48592077 0.31529404 42 12858.17877013 1635.44108294 -16964.22057599 Mo 1.39633075 0.02716645 1.37161221 42 13970.91755479 -8544.73784221 13062.02873432 Mo 0.03639127 1.34682386 1.69390447 42 -13495.51323130 3781.72113570 -6334.05730858