P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma    
MODE OF CALC=RELA unit=bohr
 23.054659 15.873700 14.550891 90.000000 90.000000 90.000000
ATOM  -1: X=0.17600000 Y=0.00100000 Z=0.52900000
          MULT= 8          ISPLIT=15
      -1: X=0.82400000 Y=0.99900000 Z=0.47100000
      -1: X=0.67600000 Y=0.00100000 Z=0.97100000
      -1: X=0.32400000 Y=0.99900000 Z=0.02900000
      -1: X=0.32400000 Y=0.50100000 Z=0.02900000
      -1: X=0.67600000 Y=0.49900000 Z=0.97100000
      -1: X=0.82400000 Y=0.50100000 Z=0.47100000
      -1: X=0.17600000 Y=0.49900000 Z=0.52900000
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=0.00900000 Y=0.25000000 Z=0.07400000
          MULT= 4          ISPLIT=15
      -2: X=0.99100000 Y=0.75000000 Z=0.92600000
      -2: X=0.50900000 Y=0.25000000 Z=0.42600000
      -2: X=0.49100000 Y=0.75000000 Z=0.57400000
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  -3: X=0.09400000 Y=0.54200000 Z=0.16800000
          MULT= 8          ISPLIT=15
      -3: X=0.90600000 Y=0.45800000 Z=0.83200000
      -3: X=0.59400000 Y=0.54200000 Z=0.33200000
      -3: X=0.40600000 Y=0.45800000 Z=0.66800000
      -3: X=0.40600000 Y=0.04200000 Z=0.66800000
      -3: X=0.59400000 Y=0.95800000 Z=0.33200000
      -3: X=0.90600000 Y=0.04200000 Z=0.83200000
      -3: X=0.09400000 Y=0.95800000 Z=0.16800000
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=0.18900000 Y=0.25000000 Z=0.83400000
          MULT= 4          ISPLIT=15
      -4: X=0.81100000 Y=0.75000000 Z=0.16600000
      -4: X=0.68900000 Y=0.25000000 Z=0.66600000
      -4: X=0.31100000 Y=0.75000000 Z=0.33400000
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=0.00200000 Y=0.25000000 Z=0.45900000
          MULT= 4          ISPLIT=15
      -5: X=0.99800000 Y=0.75000000 Z=0.54100000
      -5: X=0.50200000 Y=0.25000000 Z=0.04100000
      -5: X=0.49800000 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=0.28300000 Y=0.25000000 Z=0.30500000
          MULT= 4          ISPLIT=15
      -6: X=0.71700000 Y=0.75000000 Z=0.69500000
      -6: X=0.78300000 Y=0.25000000 Z=0.19500000
      -6: X=0.21700000 Y=0.75000000 Z=0.80500000
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