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=12704.407484058287 pbc="F F T" Mo 0.19359173 0.29669343 0.07445983 42 -17539.32549754 -20926.56287144 -10188.77391153 Mo 1.56399518 1.62568716 0.28491652 42 10862.51843532 8709.46698619 -3749.06583522 Mo 1.25325937 0.10551926 1.63247477 42 24283.67220762 -14887.84122264 -3921.66598250 Mo -0.02837841 1.41279072 1.40747682 42 -17606.86514539 27104.93710789 17859.50572925