P   LATTICE,NONEQUIV.ATOMS   7   57 Pbcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.046669 37.970267 13.275326 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11300000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.88700000 Y=0.75000000 Z=0.00000000
      -1: X=0.11300000 Y=0.25000000 Z=0.50000000
      -1: X=0.88700000 Y=0.75000000 Z=0.50000000
Au         NPT=  781  R0=.000005000 RMT= 2.41        Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.20790000 Y=0.51500000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.79210000 Y=0.48500000 Z=0.75000000
      -2: X=0.79210000 Y=0.01500000 Z=0.25000000
      -2: X=0.20790000 Y=0.98500000 Z=0.75000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.60430000 Y=0.33540000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.39570000 Y=0.66460000 Z=0.75000000
      -3: X=0.39570000 Y=0.83540000 Z=0.25000000
      -3: X=0.60430000 Y=0.16460000 Z=0.75000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.52900000 Y=0.16100000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.47100000 Y=0.83900000 Z=0.75000000
      -4: X=0.47100000 Y=0.66100000 Z=0.25000000
      -4: X=0.52900000 Y=0.33900000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.88        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.11370000 Y=0.13630000 Z=0.00470000
          MULT= 8          ISPLIT= 8
      -5: X=0.88630000 Y=0.86370000 Z=0.99530000
      -5: X=0.11370000 Y=0.13630000 Z=0.49530000
      -5: X=0.88630000 Y=0.86370000 Z=0.50470000
      -5: X=0.88630000 Y=0.63630000 Z=0.00470000
      -5: X=0.11370000 Y=0.36370000 Z=0.99530000
      -5: X=0.88630000 Y=0.63630000 Z=0.49530000
      -5: X=0.11370000 Y=0.36370000 Z=0.50470000
S          NPT=  781  R0=.000100000 RMT= 1.88        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.29700000 Y=0.01400000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.70300000 Y=0.98600000 Z=0.75000000
      -6: X=0.70300000 Y=0.51400000 Z=0.25000000
      -6: X=0.29700000 Y=0.48600000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.88        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.27600000 Y=0.11290000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -7: X=0.72400000 Y=0.88710000 Z=0.75000000
      -7: X=0.72400000 Y=0.61290000 Z=0.25000000
      -7: X=0.27600000 Y=0.38710000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 1.82        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000