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=148.84447501864153 stress="-8.081047090561556 0.028829549654602403 -0.0036758684625268685 0.028829549654602403 -4.146878417398053 -0.023549295257595304 -0.0036758684625268685 -0.023549295257595304 -8.54653093980784" free_energy=148.84447501864153 pbc="T F T"
Ba       0.03848316       0.19178619       0.17895518       8.78156492     -40.00540865      -8.05009547
Ba       1.79140871       1.61455359       0.09583508     -11.84590459      45.93720454      -4.68134678
Ba       1.64904689       0.10609294       1.46603997     -10.37736356     -43.85864771       5.83106032
Ba      -0.19401975       1.32157598       1.51361598      13.44170323      37.92685181       6.90038193