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=121.82026417604034 stress="-3.184787916579598 0.10602416379353106 -0.09974970245621453 0.10602416379353106 -7.4333483955673225 0.03531028892046522 -0.09974970245621453 0.03531028892046522 -3.241263066286286" free_energy=121.82026417604034 pbc="F T F"
Ba       0.13661615      -0.09519967       0.11041876     -38.28595223      -4.82346108     -31.19658625
Ba       1.26735611       1.33533445       0.08611608      30.53912705       6.44367666     -40.62395172
Ba       1.53369179       0.02598936       1.22329650      40.65080875      -8.00529408      29.94788887
Ba       0.29874826       1.27290972       1.38090187     -32.90398356       6.38507849      41.87264910