16
Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=71261.27017091723 stress="-3.3027111471798625 -1.3582462043960726 -0.22200310791224606 -1.3582462043960726 -4.63971024083447 -1.816171645944256 -0.22200310791224606 -1.816171645944256 -3.9407749117016535" pbc="F F F"
Ba      20.98059171      21.02657740      21.17920691  -11627.72139607  -11250.92789602  -12120.00081820 
Ba      22.30134800      22.25463684      22.59325006   18695.98245854   16498.12164166    3957.83935606 
Ba      23.86404733      21.03205936      21.09960913    3801.52063317   -4733.38422616   -5412.65649392 
Ba      25.27434801      22.60878037      22.77852494   35961.92957775  -38353.92006416  -35650.08544273 
Ba      21.23768628      23.80829605      20.99133652  -22272.02722555  -26319.01419116  -25299.07091639 
Ba      22.13781559      25.44810878      22.06047016   12999.95056221   36875.58821632   20985.94121141 
Ba      23.92187935      24.11434322      20.98775585    2424.72621685   -4915.41831006  -10168.70417513 
Ba      25.24079411      25.28715336      22.70457492   26996.01739850   35937.79547591  -24749.87640881 
Ba      20.91186948      21.19802343      24.07026468  -15298.68862297  -11542.98294420   10229.26750802 
Ba      22.57529174      22.41339901      25.54781467   -6509.48432896    7465.77366254   14425.11112967 
Ba      23.92776194      21.00992760      24.26687725     374.00388934  -20799.02813313  -12473.22065519 
Ba      25.26446711      22.23898555      25.74198235   11093.54175031    4310.86678875   11391.53269649 
Ba      21.25627653      24.18767146      24.21628421  -42369.56959539  -51766.95514977  -38736.88629653 
Ba      22.26227175      25.63107567      25.27460958   37526.40257506   55650.81491450   40828.10818368 
Ba      24.20876017      23.93759557      23.99350828  -63503.96846893    1832.20796082   47803.38821640 
Ba      25.46118453      25.03525883      25.53982750   11707.38457614   11110.46225416   14989.31290518