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=161.34096253767052 stress="-8.819810320767417 0.05212352833552677 -0.1410286981178016 0.05212352833552677 -9.04243377459305 -0.0786271885984716 -0.1410286981178016 -0.0786271885984716 -9.15592051010468" pbc="T T T"
Ba      -0.14459490       0.11115480       0.11044915       8.29024554      -9.54722921      -1.59555028 
Ba       1.70960170       1.31143450      -0.16166483     -12.30603639      10.36764516       2.20952026 
Ba       1.28829595       0.03769167       1.64041416      -4.14223153      -6.85638261      -3.70493580 
Ba      -0.22187219       1.51878885       1.32834452       8.15802238       6.03596666       3.09096582