16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=193.083077075 pbc="F F F" Ba -0.08129564 0.04860922 0.20118821 56 -9.90202794 -6.53088798 -8.58264232 Ba 1.98180132 1.24524776 1.46966436 56 -14.48538007 1.84260014 -0.98242792 Ba 2.78829595 0.09488445 0.32407133 56 8.70344770 -20.44333831 -22.53660320 Ba 4.27812781 1.72167608 1.41177783 56 26.57117857 -2.13635087 -5.89734521 Ba 0.09773896 2.95894820 0.43430936 56 -18.09205412 1.12728561 -10.59732919 Ba 1.74694456 4.20865944 1.18733709 56 -12.92817947 30.33604306 1.34096108 Ba 2.78802619 3.22277084 0.39803630 56 14.07255998 -0.25123968 -28.87365592 Ba 4.68362810 4.69581920 1.57170384 56 11.30249305 10.10483323 -2.89498670 Ba 0.39950070 -0.04153317 2.85402479 56 -13.40292100 -10.18262286 8.05471951 Ba 1.99274538 1.55417130 4.65300231 56 -7.71686688 -4.98656878 19.76152003 Ba 3.03848316 0.09137518 2.91852158 56 6.64702837 -23.51890868 7.85564775 Ba 4.45789336 1.21528623 4.27041603 56 16.89728576 -2.81758597 11.65202696 Ba 0.26213048 3.22747991 3.29140871 56 -19.74758438 1.32152076 3.81774975 Ba 1.66928858 4.53253581 4.64904689 56 -4.61931292 13.37727124 12.46265899 Ba 2.78091226 3.10609294 2.96603997 56 5.93474109 5.78977401 6.69512263 Ba 4.30598025 4.32157598 4.51361598 56 10.76559226 6.96817507 8.72458377