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=12.527220202030191 pbc="F T T" Mo -0.15859300 -0.18331863 -0.08013605 42 -28.41709322 2.59646067 16.73065158 Mo 1.24396547 1.59073906 0.47508685 42 28.76355021 -1.73465329 -14.20070988 Mo 1.43381326 0.13132919 1.75978669 42 30.51758890 -4.72346903 7.06475337 Mo -0.27407488 1.28504734 1.68365717 42 -30.86404589 3.86166165 -9.59469506