Perovskite Bulk ideal, vac 0.5 0.25 0.75 and 0 0 0.5, Ni int 0.4 0.1 0.3, Cr int 0.8 0.7 0.6, 0.3 0.3 0.2, Sr sub 0.5 0.5 0, Fe sub 0.25 0.75 0.75, Fe sub 0.25 0.25 0.25
   1.00000000000000
     7.8793224333361840    0.0000000000000000    0.0000000000000000
     0.0000000000000000    7.8793224333361840    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.8793224333361840
   La   Mn   O Ni Cr Sr Fe
   6   6  23  1  2   1  2 
Direct
  0.0000000000000000  0.0000000000000000  0.0000000000000000
  0.0000000000000000  0.5000000000000000  0.0000000000000000
  0.0000000000000000  0.5000000000000000  0.5000000000000000
  0.5000000000000000  0.0000000000000000  0.0000000000000000
  0.5000000000000000  0.0000000000000000  0.5000000000000000
  0.5000000000000000  0.5000000000000000  0.5000000000000000
  0.2500000000000000  0.2500000000000000  0.7500000000000000
  0.2500000000000000  0.7500000000000000  0.2500000000000000
  0.7500000000000000  0.2500000000000000  0.2500000000000000
  0.7500000000000000  0.2500000000000000  0.7500000000000000
  0.7500000000000000  0.7500000000000000  0.2500000000000000
  0.7500000000000000  0.7500000000000000  0.7500000000000000
  0.2500000000000000  0.2500000000000000  0.0000000000000000
  0.0000000000000000  0.2500000000000000  0.2500000000000000
  0.2500000000000000  0.0000000000000000  0.2500000000000000
  0.2500000000000000  0.2500000000000000  0.5000000000000000
  0.0000000000000000  0.2500000000000000  0.7500000000000000
  0.2500000000000000  0.0000000000000000  0.7500000000000000
  0.2500000000000000  0.7500000000000000  0.0000000000000000
  0.0000000000000000  0.7500000000000000  0.2500000000000000
  0.2500000000000000  0.5000000000000000  0.2500000000000000
  0.2500000000000000  0.7500000000000000  0.5000000000000000
  0.0000000000000000  0.7500000000000000  0.7500000000000000
  0.2500000000000000  0.5000000000000000  0.7500000000000000
  0.7500000000000000  0.2500000000000000  0.0000000000000000
  0.5000000000000000  0.2500000000000000  0.2500000000000000
  0.7500000000000000  0.0000000000000000  0.2500000000000000
  0.7500000000000000  0.2500000000000000  0.5000000000000000
  0.7500000000000000  0.0000000000000000  0.7500000000000000
  0.7500000000000000  0.7500000000000000  0.0000000000000000
  0.5000000000000000  0.7500000000000000  0.2500000000000000
  0.7500000000000000  0.5000000000000000  0.2500000000000000
  0.7500000000000000  0.7500000000000000  0.5000000000000000
  0.5000000000000000  0.7500000000000000  0.7500000000000000
  0.7500000000000000  0.5000000000000000  0.7500000000000000
  0.4 0.1 0.3
  0.8 0.7 0.6
  0.3 0.3 0.2
  0.5000000000000000  0.5000000000000000  0.0000000000000000
  0.2500000000000000  0.7500000000000000  0.7500000000000000
  0.2500000000000000  0.2500000000000000  0.2500000000000000
