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=162.28081114063392 stress="-8.855126890654944 0.052223709783056405 -0.140942336330049 0.052223709783056405 -9.077505286545533 -0.07857636663230909 -0.140942336330049 -0.07857636663230909 -9.191098758390057" free_energy=162.28081114063392 pbc="T T T"
Ba      -0.14459490       0.11115480       0.11044915       8.28983935      -9.54727288      -1.59537284
Ba       1.70960170       1.31143450      -0.16166483     -12.30605344      10.36738096       2.20934450
Ba       1.28829595       0.03769167       1.64041416      -4.14185509      -6.85616857      -3.70507038
Ba      -0.22187219       1.51878885       1.32834452       8.15806918       6.03606049       3.09109872