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=92.04980852054648 stress="-2.8846965917711853 0.24869368604502534 0.08708567418547743 0.24869368604502534 -3.178832015379843 0.3129804729394523 0.08708567418547743 0.3129804729394523 -5.709942328465373" free_energy=92.04980852054648 pbc="F F T"
Ba       0.05835534       0.20070203      -0.29657041     -28.26781028     -27.27451652       0.78573212
Ba       1.40085166       1.49793547       0.28187239      28.37315019      29.80347571      -7.70975460
Ba       1.51001192       0.10170120       1.23292258      26.36514036     -31.05732373       5.56415104
Ba       0.00082602       1.74624097       1.49815252     -26.47048028      28.52836454       1.35987144