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:Z:I:1:forces:R:3 energy=685493.0859389283 pbc="F T F"
Ba      -0.01670121       0.22650889      -0.15105599       56 -493323.06921314 -417036.87149008 -227401.83074178 
Ba       1.28799751       1.34890793       0.19986769       56 2433024.16043280 -208840.23032289 -2758448.33733471 
Ba       1.68682144      -0.23222561       1.20058748       56  366249.09067987  368333.66527236  376551.54934685 
Ba       0.29348094       1.50940417       1.36544080       56 -2305950.18189953  257543.43654062 2609298.61872964