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=148.96055188128227 stress="-8.085439778340403 0.028824478766289522 -0.0037315991691488173 0.028824478766289522 -4.146899429513308 -0.02355374779895406 -0.0037315991691488173 -0.02355374779895406 -8.550689367557073" free_energy=148.96055188128227 pbc="T F T"
Ba       0.03848316       0.19178619       0.17895518       8.78140918     -40.00560791      -8.04985358
Ba       1.79140871       1.61455359       0.09583508     -11.84542257      45.93745878      -4.68129257
Ba       1.64904689       0.10609294       1.46603997     -10.37721525     -43.85886796       5.83074965
Ba      -0.19401975       1.32157598       1.51361598      13.44122864      37.92701708       6.90039650