P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.592757 24.287138 12.793068 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.01143000 Y=0.09339000 Z=0.67843000
          MULT= 8          ISPLIT= 8
      -1: X=0.98857000 Y=0.90661000 Z=0.32157000
      -1: X=0.51143000 Y=0.09339000 Z=0.82157000
      -1: X=0.48857000 Y=0.90661000 Z=0.17843000
      -1: X=0.48857000 Y=0.59339000 Z=0.17843000
      -1: X=0.51143000 Y=0.40661000 Z=0.82157000
      -1: X=0.98857000 Y=0.59339000 Z=0.32157000
      -1: X=0.01143000 Y=0.40661000 Z=0.67843000
Ti         NPT=  781  R0=.000050000 RMT= 2.37        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.17298000 Y=0.25000000 Z=0.00779000
          MULT= 4          ISPLIT= 8
      -2: X=0.82702000 Y=0.75000000 Z=0.99221000
      -2: X=0.67298000 Y=0.25000000 Z=0.49221000
      -2: X=0.32702000 Y=0.75000000 Z=0.50779000
Ti         NPT=  781  R0=.000050000 RMT= 2.37        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.34854000 Y=0.12538000 Z=0.33563000
          MULT= 8          ISPLIT= 8
      -3: X=0.65146000 Y=0.87462000 Z=0.66437000
      -3: X=0.84854000 Y=0.12538000 Z=0.16437000
      -3: X=0.15146000 Y=0.87462000 Z=0.83563000
      -3: X=0.15146000 Y=0.62538000 Z=0.83563000
      -3: X=0.84854000 Y=0.37462000 Z=0.16437000
      -3: X=0.65146000 Y=0.62538000 Z=0.66437000
      -3: X=0.34854000 Y=0.37462000 Z=0.33563000
Ti         NPT=  781  R0=.000050000 RMT= 2.37        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.31933000 Y=0.25000000 Z=0.65291000
          MULT= 4          ISPLIT= 8
      -4: X=0.68067000 Y=0.75000000 Z=0.34709000
      -4: X=0.81933000 Y=0.25000000 Z=0.84709000
      -4: X=0.18067000 Y=0.75000000 Z=0.15291000
Ge         NPT=  781  R0=.000050000 RMT= 2.37        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.04847000 Y=0.25000000 Z=0.39163000
          MULT= 4          ISPLIT= 8
      -5: X=0.95153000 Y=0.75000000 Z=0.60837000
      -5: X=0.54847000 Y=0.25000000 Z=0.10837000
      -5: X=0.45153000 Y=0.75000000 Z=0.89163000
Ge         NPT=  781  R0=.000050000 RMT= 2.37        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.19237000 Y=0.04096000 Z=0.03537000
          MULT= 8          ISPLIT= 8
      -6: X=0.80763000 Y=0.95904000 Z=0.96463000
      -6: X=0.69237000 Y=0.04096000 Z=0.46463000
      -6: X=0.30763000 Y=0.95904000 Z=0.53537000
      -6: X=0.30763000 Y=0.54096000 Z=0.53537000
      -6: X=0.69237000 Y=0.45904000 Z=0.46463000
      -6: X=0.80763000 Y=0.54096000 Z=0.96463000
      -6: X=0.19237000 Y=0.45904000 Z=0.03537000
Ge         NPT=  781  R0=.000050000 RMT= 2.37        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000