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:forces:R:3 energy=106.83780658837476 stress="-6.547556798311312 0.17750509580688195 -0.10680808932406866 0.17750509580688195 -3.1826149490508837 0.21215523622204557 -0.10680808932406866 0.21215523622204557 -3.073047715730181" free_energy=106.83780658837476 pbc="T F F"
Ba      -0.06254558       0.09073906       0.27219963      -4.06575107     -33.90367449     -33.91998949
Ba       1.43381326       1.63132919       0.25978669       3.70459807      31.73288984     -29.15916544
Ba       1.22592512       0.18365717       1.70288723       9.83201450     -30.95421567      33.10879920
Ba       0.08343331       1.29585403       1.44809454      -9.47086150      33.12500032      29.97035573