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=15601.973653068922 stress="-41455.82069703035 4545.219653231623 20102.261866243232 4545.219653231623 -68236.59394682394 -44166.686572894265 20102.261866243232 -44166.686572894265 -81332.77538941742" pbc="F F F"
Pr       0.07679261      -0.03562020      -0.21676548    2539.80676583  -43442.02365012  -46114.95278156 
Pr       1.35813006       1.79203779      -0.06013617   14706.50716744   13226.76063441   -9746.49546783 
Pr       1.66906118       0.02553858       1.53747170    8565.55236701   -5664.82016300    6085.75984848 
Pr      -0.27084450       1.20208742       1.23341026  -25811.86630028   35880.08317871   49775.68840090