P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma    
MODE OF CALC=RELA unit=bohr
 20.177740  7.003892 23.888028 90.000000 90.000000 90.000000
ATOM  -1: X=0.25269000 Y=0.25000000 Z=0.64558000
          MULT= 4          ISPLIT=15
      -1: X=0.74731000 Y=0.75000000 Z=0.35442000
      -1: X=0.75269000 Y=0.25000000 Z=0.85442000
      -1: X=0.24731000 Y=0.75000000 Z=0.14558000
Ba         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  56.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.07173000 Y=0.25000000 Z=0.38429000
          MULT= 4          ISPLIT=15
      -2: X=0.92827000 Y=0.75000000 Z=0.61571000
      -2: X=0.57173000 Y=0.25000000 Z=0.11571000
      -2: X=0.42827000 Y=0.75000000 Z=0.88429000
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=0.58737000 Y=0.25000000 Z=0.61087000
          MULT= 4          ISPLIT=15
      -3: X=0.41263000 Y=0.75000000 Z=0.38913000
      -3: X=0.08737000 Y=0.25000000 Z=0.88913000
      -3: X=0.91263000 Y=0.75000000 Z=0.11087000
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=0.28410000 Y=0.25000000 Z=0.32140000
          MULT= 4          ISPLIT=15
      -4: X=0.71590000 Y=0.75000000 Z=0.67860000
      -4: X=0.78410000 Y=0.25000000 Z=0.17860000
      -4: X=0.21590000 Y=0.75000000 Z=0.82140000
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=0.36990000 Y=0.25000000 Z=0.01310000
          MULT= 4          ISPLIT=15
      -5: X=0.63010000 Y=0.75000000 Z=0.98690000
      -5: X=0.86990000 Y=0.25000000 Z=0.48690000
      -5: X=0.13010000 Y=0.75000000 Z=0.51310000
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=0.49270000 Y=0.25000000 Z=0.78260000
          MULT= 4          ISPLIT=15
      -6: X=0.50730000 Y=0.75000000 Z=0.21740000
      -6: X=0.99270000 Y=0.25000000 Z=0.71740000
      -6: X=0.00730000 Y=0.75000000 Z=0.28260000
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=0.06800000 Y=0.25000000 Z=0.07920000
          MULT= 4          ISPLIT=15
      -7: X=0.93200000 Y=0.75000000 Z=0.92080000
      -7: X=0.56800000 Y=0.25000000 Z=0.42080000
      -7: X=0.43200000 Y=0.75000000 Z=0.57920000
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