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=342882.6519365768 stress="-45545.68497363999 -12730.003049690493 -10299.093438746826 -12730.003049690493 -37544.91408008072 -16639.15629014256 -10299.093438746826 -16639.15629014256 -70629.3470538347" pbc="T F T"
Ba      -0.08292316       0.23569352      -0.02495530  256164.80058746 -553115.30555623 -148980.61232215 
Ba       1.40308152       1.77309356       0.04536948  112509.11391117  159663.60741149 -109183.91641106 
Ba       1.68827503       0.05968154       1.69770818 -455364.53925865 -292470.97940440 -284478.66166339 
Ba       0.07416130       1.28066181       1.33615751   86690.62476002  685922.67754914  542643.19039660