P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma    
MODE OF CALC=RELA unit=bohr
 23.300323 16.639039 14.853247 90.000000 90.000000 90.000000
ATOM  -1: X=0.32200000 Y=0.00100000 Z=0.02800000
          MULT= 8          ISPLIT=15
      -1: X=0.67800000 Y=0.99900000 Z=0.97200000
      -1: X=0.82200000 Y=0.00100000 Z=0.47200000
      -1: X=0.17800000 Y=0.99900000 Z=0.52800000
      -1: X=0.17800000 Y=0.50100000 Z=0.52800000
      -1: X=0.82200000 Y=0.49900000 Z=0.47200000
      -1: X=0.67800000 Y=0.50100000 Z=0.97200000
      -1: X=0.32200000 Y=0.49900000 Z=0.02800000
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=0.01000000 Y=0.25000000 Z=0.07400000
          MULT= 4          ISPLIT=15
      -2: X=0.99000000 Y=0.75000000 Z=0.92600000
      -2: X=0.51000000 Y=0.25000000 Z=0.42600000
      -2: X=0.49000000 Y=0.75000000 Z=0.57400000
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  -3: X=0.09200000 Y=0.54400000 Z=0.16900000
          MULT= 8          ISPLIT=15
      -3: X=0.90800000 Y=0.45600000 Z=0.83100000
      -3: X=0.59200000 Y=0.54400000 Z=0.33100000
      -3: X=0.40800000 Y=0.45600000 Z=0.66900000
      -3: X=0.40800000 Y=0.04400000 Z=0.66900000
      -3: X=0.59200000 Y=0.95600000 Z=0.33100000
      -3: X=0.90800000 Y=0.04400000 Z=0.83100000
      -3: X=0.09200000 Y=0.95600000 Z=0.16900000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.18700000 Y=0.25000000 Z=0.83300000
          MULT= 4          ISPLIT=15
      -4: X=0.81300000 Y=0.75000000 Z=0.16700000
      -4: X=0.68700000 Y=0.25000000 Z=0.66700000
      -4: X=0.31300000 Y=0.75000000 Z=0.33300000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00100000 Y=0.25000000 Z=0.45900000
          MULT= 4          ISPLIT=15
      -5: X=0.99900000 Y=0.75000000 Z=0.54100000
      -5: X=0.50100000 Y=0.25000000 Z=0.04100000
      -5: X=0.49900000 Y=0.75000000 Z=0.95900000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.28200000 Y=0.25000000 Z=0.30800000
          MULT= 4          ISPLIT=15
      -6: X=0.71800000 Y=0.75000000 Z=0.69200000
      -6: X=0.78200000 Y=0.25000000 Z=0.19200000
      -6: X=0.21800000 Y=0.75000000 Z=0.80800000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000