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=131.580319957 pbc="T T F" Ca 0.08407602 0.33863628 0.44854923 20 -8.42426863 -26.75141022 -48.65794398 Ca 1.45717459 1.35402479 0.31605635 20 7.58812633 20.35549751 -49.35462610 Ca 1.45811127 0.16661829 1.53848316 20 6.43317565 -18.01204643 48.23571951 Ca 0.02104585 1.41852158 1.45789336 20 -5.59703335 24.40795915 49.77685057