P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma    
MODE OF CALC=RELA unit=bohr
 14.639708 21.068557 14.382706 90.000000 90.000000 90.000000
ATOM  -1: X=0.24940000 Y=0.02410000 Z=0.44940000
          MULT= 8          ISPLIT=15
      -1: X=0.75060000 Y=0.97590000 Z=0.55060000
      -1: X=0.74940000 Y=0.02410000 Z=0.05060000
      -1: X=0.25060000 Y=0.97590000 Z=0.94940000
      -1: X=0.25060000 Y=0.52410000 Z=0.94940000
      -1: X=0.74940000 Y=0.47590000 Z=0.05060000
      -1: X=0.75060000 Y=0.52410000 Z=0.55060000
      -1: X=0.24940000 Y=0.47590000 Z=0.44940000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.49840000 Y=0.25000000 Z=0.76680000
          MULT= 4          ISPLIT=15
      -2: X=0.50160000 Y=0.75000000 Z=0.23320000
      -2: X=0.99840000 Y=0.25000000 Z=0.73320000
      -2: X=0.00160000 Y=0.75000000 Z=0.26680000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.01110000 Y=0.25000000 Z=0.24840000
          MULT= 4          ISPLIT=15
      -3: X=0.98890000 Y=0.75000000 Z=0.75160000
      -3: X=0.51110000 Y=0.25000000 Z=0.25160000
      -3: X=0.48890000 Y=0.75000000 Z=0.74840000
Nb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  41.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.04000000 Y=0.12320000 Z=0.07670000
          MULT= 8          ISPLIT=15
      -4: X=0.96000000 Y=0.87680000 Z=0.92330000
      -4: X=0.54000000 Y=0.12320000 Z=0.42330000
      -4: X=0.46000000 Y=0.87680000 Z=0.57670000
      -4: X=0.46000000 Y=0.62320000 Z=0.57670000
      -4: X=0.54000000 Y=0.37680000 Z=0.42330000
      -4: X=0.96000000 Y=0.62320000 Z=0.92330000
      -4: X=0.04000000 Y=0.37680000 Z=0.07670000
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  -5: X=0.25130000 Y=0.25000000 Z=0.31860000
          MULT= 4          ISPLIT=15
      -5: X=0.74870000 Y=0.75000000 Z=0.68140000
      -5: X=0.75130000 Y=0.25000000 Z=0.18140000
      -5: X=0.24870000 Y=0.75000000 Z=0.81860000
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  -6: X=0.24910000 Y=0.61890000 Z=0.22420000
          MULT= 8          ISPLIT=15
      -6: X=0.75090000 Y=0.38110000 Z=0.77580000
      -6: X=0.74910000 Y=0.61890000 Z=0.27580000
      -6: X=0.25090000 Y=0.38110000 Z=0.72420000
      -6: X=0.25090000 Y=0.11890000 Z=0.72420000
      -6: X=0.74910000 Y=0.88110000 Z=0.27580000
      -6: X=0.75090000 Y=0.11890000 Z=0.77580000
      -6: X=0.24910000 Y=0.88110000 Z=0.22420000
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  -7: X=0.46370000 Y=0.12640000 Z=0.06080000
          MULT= 8          ISPLIT=15
      -7: X=0.53630000 Y=0.87360000 Z=0.93920000
      -7: X=0.96370000 Y=0.12640000 Z=0.43920000
      -7: X=0.03630000 Y=0.87360000 Z=0.56080000
      -7: X=0.03630000 Y=0.62640000 Z=0.56080000
      -7: X=0.96370000 Y=0.37360000 Z=0.43920000
      -7: X=0.53630000 Y=0.62640000 Z=0.93920000
      -7: X=0.46370000 Y=0.37360000 Z=0.06080000
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