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=47.996797541286185 stress="-47.78067434957531 0.3158927068237709 0.61075758485023 0.3158927068237709 -48.59585515677129 -2.753092139295674 0.61075758485023 -2.753092139295674 -54.85394046863877" pbc="F F F"
Ba      -0.12320595      -0.04105180       0.20259391     -19.23877717     -15.65657314     -13.27389471 
Ba       1.56504129       1.20865944      -0.13449789      16.32408731      10.75241759     -19.58798174 
Ba       1.28802619       0.22277084       1.68584377      17.50025931     -18.08532093      20.26031735 
Ba       0.18362810       1.69581920       1.64685009     -14.58556945      22.98947649      12.60155910