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=202525.9920445663 stress="-422660.1501654732 -21144.314531077176 -45046.95986191055 -21144.314531077176 -946195.3650241457 697518.3765319425 -45046.95986191055 697518.3765319425 -1076995.1636404884" pbc="F F F"
Ba       0.19035528       0.16603248      -0.21372217 -147650.69165646 -141108.04468248 -103916.73267577 
Ba       1.68585738       1.37871891       0.04029094  124177.72338687  735137.43731076 -713861.60538259 
Ba       1.73524698       0.25094627       1.30465638  143605.03582751 -690130.89528353  727539.34060606 
Ba       0.06467796       1.34505467       1.48892576 -120132.06755792   96101.50265525   90238.99745230