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=106.74153935768372 stress="-6.543598524016227 0.17751226614700427 -0.10681626147250013 0.17751226614700427 -3.18259418124999 0.2121527934232977 -0.10681626147250013 0.2121527934232977 -3.0730334071281544" free_energy=106.74153935768372 pbc="T F F"
Ba      -0.06254558       0.09073906       0.27219963      -4.06650565     -33.90340560     -33.91984486
Ba       1.43381326       1.63132919       0.25978669       3.70542522      31.73259481     -29.15902038
Ba       1.22592512       0.18365717       1.70288723       9.83325569     -30.95409185      33.10862695
Ba       0.08343331       1.29585403       1.44809454      -9.47217526      33.12490264      29.97023829