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=121.72379375721106 stress="-3.184772699731314 0.10605829065171637 -0.0997485607976482 0.10605829065171637 -7.429321133756122 0.03530028619680595 -0.0997485607976482 0.03530028619680595 -3.2412508695992535" free_energy=121.72379375721106 pbc="F T F"
Ba       0.13661615      -0.09519967       0.11041876     -38.28572235      -4.82418068     -31.19645250
Ba       1.26735611       1.33533445       0.08611608      30.53894470       6.44433980     -40.62381463
Ba       1.53369179       0.02598936       1.22329650      40.65064926      -8.00665480      29.94777394
Ba       0.29874826       1.27290972       1.38090187     -32.90387161       6.38649567      41.87249319