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=106.72953987908652 stress="-6.543260760808376 0.17751100025254843 -0.10681582981069522 0.17751100025254843 -3.182593305126471 0.21215264207157483 -0.10681582981069522 0.21215264207157483 -3.0730325590309064" free_energy=106.72953987908652 pbc="T F F"
Ba      -0.06254558       0.09073906       0.27219963      -4.06650932     -33.90339691     -33.91983664
Ba       1.43381326       1.63132919       0.25978669       3.70543345      31.73258465     -29.15901136
Ba       1.22592512       0.18365717       1.70288723       9.83323142     -30.95408306      33.10861709
Ba       0.08343331       1.29585403       1.44809454      -9.47215555      33.12489532      29.97023091