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=91.95377551877675 stress="-2.8846746286109437 0.2486907718836669 0.08710861437372065 0.2486907718836669 -3.178815522192681 0.313015524274221 0.08710861437372065 0.313015524274221 -5.70611644604768" free_energy=91.95377551877675 pbc="F F T"
Ba       0.05835534       0.20070203      -0.29657041     -28.26755293     -27.27437298       0.78610244
Ba       1.40085166       1.49793547       0.28187239      28.37300466      29.80336084      -7.71059404
Ba       1.51001192       0.10170120       1.23292258      26.36487263     -31.05717050       5.56450523
Ba       0.00082602       1.74624097       1.49815252     -26.47032437      28.52818264       1.35998636