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=167.21929603374136 stress="-9.035650131582711 0.05275841609145352 -0.14130120647240074 0.05275841609145352 -9.25941217775027 -0.07945610378740081 -0.14130120647240074 -0.07945610378740081 -9.372096678124286" pbc="T T T"
Ba      -0.14459490       0.11115480       0.11044915       8.29202566      -9.55253073      -1.60048692 
Ba       1.70960170       1.31143450      -0.16166483     -12.32019768      10.37606760       2.21482399 
Ba       1.28829595       0.03769167       1.64041416      -4.13499029      -6.85686743      -3.71210444 
Ba      -0.22187219       1.51878885       1.32834452       8.16316230       6.03333056       3.09776737