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=149.71334012108687 stress="-8.112285599396738 0.028804094360325515 -0.0036873328374027294 0.028804094360325515 -4.147162826975556 -0.023514048191984875 -0.0036873328374027294 -0.023514048191984875 -8.578314177568037" free_energy=149.71334012108687 pbc="T F T"
Ba       0.03848316       0.19178619       0.17895518       8.78181583     -40.00801449      -8.04967540
Ba       1.79140871       1.61455359       0.09583508     -11.84725092      45.94067878      -4.68227244
Ba       1.64904689       0.10609294       1.46603997     -10.37848674     -43.86170586       5.83122970
Ba      -0.19401975       1.32157598       1.51361598      13.44392183      37.92904156       6.90071813