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SYSTEM = PbTiO3_p4mm
ENCUT = 800
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ISMEAR = 0; SIGMA = 0.2
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     3.9020000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    3.9020000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.1550000000000000
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  0.5000000000000000  0.5000000000000000  0.1131297125826391
  0.5000000000000000  0.0000000000000000  0.6196488104654303
  0.0000000000000000  0.5000000000000000  0.6196488104654303
  0.5000000000000000  0.5000000000000000  0.5397451459032098
  0.0000000000000000  0.0000000000000000 -0.0047183237261610

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     3.8646149601818020    0.0000000000000000    0.0000000000000000
     0.0000000000000000    3.8646149601818020    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.0560945114966480
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  0.5000000000000000  0.5000000000000000  0.1035077853086349
  0.5000000000000000  0.0000000000000000  0.6148831221823548
  0.0000000000000000  0.5000000000000000  0.6148831221823548
  0.5000000000000000  0.5000000000000000  0.5451943700111713
  0.0000000000000000  0.0000000000000000  0.0089857560060325

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EDIFF = 1E-5
EDIFFG = -1E-2
ISIF = 3
PSTRESS = 80
POTIM = 0.2
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LCHARG =.FALSE.

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     0.0000000000000000    0.0000000000000000    3.8969610358476200
   O    Ti   Pb
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  0.5000000000000000  0.5000000000000000  0.0882145213088690
  0.5000000000000000  0.0000000000000000  0.6050703395668161
  0.0000000000000000  0.5000000000000000  0.6050703395668161
  0.5000000000000000  0.5000000000000000  0.5550015891094247
  0.0000000000000000  0.0000000000000000  0.0340973661386298

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