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=121.71179224075351 stress="-3.1847719900528113 0.10605758754426858 -0.09974849019668036 0.10605758754426858 -7.428982158126496 0.035300164022798404 -0.09974849019668036 0.035300164022798404 -3.241250153030518" free_energy=121.71179224075351 pbc="F T F"
Ba       0.13661615      -0.09519967       0.11041876     -38.28571331      -4.82418313     -31.19644493
Ba       1.26735611       1.33533445       0.08611608      30.53893845       6.44433762     -40.62380625
Ba       1.53369179       0.02598936       1.22329650      40.65063983      -8.00663804      29.94776682
Ba       0.29874826       1.27290972       1.38090187     -32.90386497       6.38648355      41.87248437