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=188642.8886959891 stress="-599211.5006112196 138075.7670023367 57659.72900688276 138075.7670023367 -863696.0695054517 190575.69952438842 57659.72900688276 190575.69952438842 -816507.8616017688" pbc="F F F"
Ba      -0.21621487      -0.00694037      -0.13529088  -65129.56111928 -202434.96233878 -221826.19799700 
Ba       1.75038406       1.27006378       0.15479255  184782.29640079  313020.73391968 -396444.32197027 
Ba       1.45781119       0.08176437       1.46438167  192658.10495961 -517722.55316434  394117.91561724 
Ba       0.06137989       1.24544399       1.20776815 -312310.84024113  407136.78158343  224152.60435003