P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma    
MODE OF CALC=RELA unit=bohr
 10.476642 31.889129 10.000431 90.000000 90.000000 90.000000
ATOM  -1: X=0.26210000 Y=0.25000000 Z=0.04270000
          MULT= 4          ISPLIT=15
      -1: X=0.73790000 Y=0.75000000 Z=0.95730000
      -1: X=0.76210000 Y=0.25000000 Z=0.45730000
      -1: X=0.23790000 Y=0.75000000 Z=0.54270000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.32500000 Y=0.09730000 Z=0.46200000
          MULT= 8          ISPLIT=15
      -2: X=0.67500000 Y=0.90270000 Z=0.53800000
      -2: X=0.82500000 Y=0.09730000 Z=0.03800000
      -2: X=0.17500000 Y=0.90270000 Z=0.96200000
      -2: X=0.17500000 Y=0.59730000 Z=0.96200000
      -2: X=0.82500000 Y=0.40270000 Z=0.03800000
      -2: X=0.67500000 Y=0.59730000 Z=0.53800000
      -2: X=0.32500000 Y=0.40270000 Z=0.46200000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.04300000 Y=0.17460000 Z=0.29800000
          MULT= 8          ISPLIT=15
      -3: X=0.95700000 Y=0.82540000 Z=0.70200000
      -3: X=0.54300000 Y=0.17460000 Z=0.20200000
      -3: X=0.45700000 Y=0.82540000 Z=0.79800000
      -3: X=0.45700000 Y=0.67460000 Z=0.79800000
      -3: X=0.54300000 Y=0.32540000 Z=0.20200000
      -3: X=0.95700000 Y=0.67460000 Z=0.70200000
      -3: X=0.04300000 Y=0.32540000 Z=0.29800000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.11900000 Y=0.01420000 Z=0.20900000
          MULT= 8          ISPLIT=15
      -4: X=0.88100000 Y=0.98580000 Z=0.79100000
      -4: X=0.61900000 Y=0.01420000 Z=0.29100000
      -4: X=0.38100000 Y=0.98580000 Z=0.70900000
      -4: X=0.38100000 Y=0.51420000 Z=0.70900000
      -4: X=0.61900000 Y=0.48580000 Z=0.29100000
      -4: X=0.88100000 Y=0.51420000 Z=0.79100000
      -4: X=0.11900000 Y=0.48580000 Z=0.20900000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.33700000 Y=0.62690000 Z=0.32000000
          MULT= 8          ISPLIT=15
      -5: X=0.66300000 Y=0.37310000 Z=0.68000000
      -5: X=0.83700000 Y=0.62690000 Z=0.18000000
      -5: X=0.16300000 Y=0.37310000 Z=0.82000000
      -5: X=0.16300000 Y=0.12690000 Z=0.82000000
      -5: X=0.83700000 Y=0.87310000 Z=0.18000000
      -5: X=0.66300000 Y=0.12690000 Z=0.68000000
      -5: X=0.33700000 Y=0.87310000 Z=0.32000000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.40000000 Y=0.25000000 Z=0.64400000
          MULT= 4          ISPLIT=15
      -6: X=0.60000000 Y=0.75000000 Z=0.35600000
      -6: X=0.90000000 Y=0.25000000 Z=0.85600000
      -6: X=0.10000000 Y=0.75000000 Z=0.14400000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000