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=41.912601094245595 stress="-48.570979808437016 2.5058297474466116 0.2810376999104811 2.5058297474466116 -44.365739073112174 -1.0904031843562123 0.2810376999104811 -1.0904031843562123 -45.450490168414056" pbc="F F F"
Ba      -0.14459490       0.11115480       0.11044915     -15.82142488     -16.67442151     -18.38240427 
Ba       1.70960170       1.31143450      -0.16166483      15.79528840      10.03935809     -12.08336687 
Ba       1.28829595      -0.16490224       1.64041416      12.77038563     -13.64618497      16.20893162 
Ba      -0.22187219       1.51878885       1.32834452     -12.74424916      20.28124839      14.25683953