16
Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=71261.27017091728 stress="-244691.2634722623 -100629.74479129561 -16447.766259002616 -100629.74479129561 -343746.85232294415 -134556.52490471874 -16447.766259002616 -134556.52490471874 -291964.131658153" pbc="F F F"
Ba      -0.01940829       0.02657740       0.17920691  -11627.72139607  -11250.92789602  -12120.00081820 
Ba       1.30134800       1.25463684       1.59325006   18695.98245854   16498.12164166    3957.83935606 
Ba       2.86404733       0.03205936       0.09960913    3801.52063317   -4733.38422616   -5412.65649392 
Ba       4.27434801       1.60878037       1.77852494   35961.92957775  -38353.92006416  -35650.08544273 
Ba       0.23768628       2.80829605      -0.00866348  -22272.02722555  -26319.01419116  -25299.07091639 
Ba       1.13781559       4.44810878       1.06047016   12999.95056221   36875.58821632   20985.94121141 
Ba       2.92187935       3.11434322      -0.01224415    2424.72621685   -4915.41831006  -10168.70417513 
Ba       4.24079411       4.28715336       1.70457492   26996.01739850   35937.79547591  -24749.87640881 
Ba      -0.08813052       0.19802343       3.07026468  -15298.68862297  -11542.98294420   10229.26750802 
Ba       1.57529174       1.41339901       4.54781467   -6509.48432896    7465.77366254   14425.11112967 
Ba       2.92776194       0.00992760       3.26687725     374.00388934  -20799.02813313  -12473.22065519 
Ba       4.26446711       1.23898555       4.74198235   11093.54175031    4310.86678875   11391.53269649 
Ba       0.25627653       3.18767146       3.21628421  -42369.56959539  -51766.95514977  -38736.88629653 
Ba       1.26227175       4.63107567       4.27460958   37526.40257506   55650.81491450   40828.10818368 
Ba       3.20876017       2.93759557       2.99350828  -63503.96846893    1832.20796082   47803.38821640 
Ba       4.46118453       4.03525883       4.53982750   11707.38457614   11110.46225416   14989.31290518