P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma    
MODE OF CALC=RELA unit=bohr
 34.971272  8.856202 13.873235 90.000000 90.000000 90.000000
ATOM  -1: X=0.28199000 Y=0.25000000 Z=0.52914000
          MULT= 4          ISPLIT=15
      -1: X=0.71801000 Y=0.75000000 Z=0.47086000
      -1: X=0.78199000 Y=0.25000000 Z=0.97086000
      -1: X=0.21801000 Y=0.75000000 Z=0.02914000
Au         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  79.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.03762000 Y=0.25000000 Z=0.74170000
          MULT= 4          ISPLIT=15
      -2: X=0.96238000 Y=0.75000000 Z=0.25830000
      -2: X=0.53762000 Y=0.25000000 Z=0.75830000
      -2: X=0.46238000 Y=0.75000000 Z=0.24170000
Au         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  79.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.35942000 Y=0.25000000 Z=0.01741000
          MULT= 4          ISPLIT=15
      -3: X=0.64058000 Y=0.75000000 Z=0.98259000
      -3: X=0.85942000 Y=0.25000000 Z=0.48259000
      -3: X=0.14058000 Y=0.75000000 Z=0.51741000
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  -4: X=0.43162000 Y=0.25000000 Z=0.48940000
          MULT= 4          ISPLIT=15
      -4: X=0.56838000 Y=0.75000000 Z=0.51060000
      -4: X=0.93162000 Y=0.25000000 Z=0.01060000
      -4: X=0.06838000 Y=0.75000000 Z=0.98940000
In         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  49.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.03491000 Y=0.25000000 Z=0.34812000
          MULT= 4          ISPLIT=15
      -5: X=0.96509000 Y=0.75000000 Z=0.65188000
      -5: X=0.53491000 Y=0.25000000 Z=0.15188000
      -5: X=0.46509000 Y=0.75000000 Z=0.84812000
In         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  49.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.18408000 Y=0.25000000 Z=0.82151000
          MULT= 4          ISPLIT=15
      -6: X=0.81592000 Y=0.75000000 Z=0.17849000
      -6: X=0.68408000 Y=0.25000000 Z=0.67849000
      -6: X=0.31592000 Y=0.75000000 Z=0.32151000
In         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  49.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.18919000 Y=0.25000000 Z=0.22828000
          MULT= 4          ISPLIT=15
      -7: X=0.81081000 Y=0.75000000 Z=0.77172000
      -7: X=0.68919000 Y=0.25000000 Z=0.27172000
      -7: X=0.31081000 Y=0.75000000 Z=0.72828000
In         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  49.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000