P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma    
MODE OF CALC=RELA unit=bohr
 23.840029 16.560804 14.997811 90.000000 90.000000 90.000000
ATOM  -1: X=0.00640000 Y=0.25000000 Z=0.42200000
          MULT= 4          ISPLIT=15
      -1: X=0.99360000 Y=0.75000000 Z=0.57800000
      -1: X=0.50640000 Y=0.25000000 Z=0.07800000
      -1: X=0.49360000 Y=0.75000000 Z=0.92200000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.32850000 Y=0.50400000 Z=0.44260000
          MULT= 8          ISPLIT=15
      -2: X=0.67150000 Y=0.49600000 Z=0.55740000
      -2: X=0.82850000 Y=0.50400000 Z=0.05740000
      -2: X=0.17150000 Y=0.49600000 Z=0.94260000
      -2: X=0.17150000 Y=0.00400000 Z=0.94260000
      -2: X=0.82850000 Y=0.99600000 Z=0.05740000
      -2: X=0.67150000 Y=0.00400000 Z=0.55740000
      -2: X=0.32850000 Y=0.99600000 Z=0.44260000
K          NPT=  781  R0=.000050000 RMT=   2.00000   Z:  19.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00520000 Y=0.25000000 Z=0.06720000
          MULT= 4          ISPLIT=15
      -3: X=0.99480000 Y=0.75000000 Z=0.93280000
      -3: X=0.50520000 Y=0.25000000 Z=0.43280000
      -3: X=0.49480000 Y=0.75000000 Z=0.56720000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.29060000 Y=0.25000000 Z=0.17200000
          MULT= 4          ISPLIT=15
      -4: X=0.70940000 Y=0.75000000 Z=0.82800000
      -4: X=0.79060000 Y=0.25000000 Z=0.32800000
      -4: X=0.20940000 Y=0.75000000 Z=0.67200000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.18090000 Y=0.25000000 Z=0.63480000
          MULT= 4          ISPLIT=15
      -5: X=0.81910000 Y=0.75000000 Z=0.36520000
      -5: X=0.68090000 Y=0.25000000 Z=0.86520000
      -5: X=0.31910000 Y=0.75000000 Z=0.13480000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.08150000 Y=0.54420000 Z=0.33180000
          MULT= 8          ISPLIT=15
      -6: X=0.91850000 Y=0.45580000 Z=0.66820000
      -6: X=0.58150000 Y=0.54420000 Z=0.16820000
      -6: X=0.41850000 Y=0.45580000 Z=0.83180000
      -6: X=0.41850000 Y=0.04420000 Z=0.83180000
      -6: X=0.58150000 Y=0.95580000 Z=0.16820000
      -6: X=0.91850000 Y=0.04420000 Z=0.66820000
      -6: X=0.08150000 Y=0.95580000 Z=0.33180000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000