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=169.550242303 pbc="T T F"
Ba       0.08407602       0.33863628       0.44854923       56      -6.19047803     -19.66362583     -45.00197661 
Ba       1.45717459       1.35402479       0.31605635       56       5.61282870      15.38747933     -48.13169891 
Ba       1.45811127       0.16661829       1.53848316       56       4.80208067     -13.76772105      46.84542617 
Ba       0.02104585       1.41852158       1.45789336       56      -4.22443135      18.04386755      46.28824934