P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.856022 30.859228 12.596914 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.01470000 Y=0.14980000 Z=0.04960000
          MULT= 8          ISPLIT= 8
      -1: X=0.98530000 Y=0.85020000 Z=0.95040000
      -1: X=0.51470000 Y=0.14980000 Z=0.45040000
      -1: X=0.48530000 Y=0.85020000 Z=0.54960000
      -1: X=0.48530000 Y=0.64980000 Z=0.54960000
      -1: X=0.51470000 Y=0.35020000 Z=0.45040000
      -1: X=0.98530000 Y=0.64980000 Z=0.95040000
      -1: X=0.01470000 Y=0.35020000 Z=0.04960000
P          NPT=  781  R0=.000100000 RMT= 1.92        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.24720000 Y=0.25000000 Z=0.74950000
          MULT= 4          ISPLIT= 8
      -2: X=0.75280000 Y=0.75000000 Z=0.25050000
      -2: X=0.74720000 Y=0.25000000 Z=0.75050000
      -2: X=0.25280000 Y=0.75000000 Z=0.24950000
P          NPT=  781  R0=.000100000 RMT= 1.92        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.13220000 Y=0.25000000 Z=0.20010000
          MULT= 4          ISPLIT= 8
      -3: X=0.86780000 Y=0.75000000 Z=0.79990000
      -3: X=0.63220000 Y=0.25000000 Z=0.29990000
      -3: X=0.36780000 Y=0.75000000 Z=0.70010000
P          NPT=  781  R0=.000100000 RMT= 1.92        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.10960000 Y=0.14780000 Z=0.75860000
          MULT= 8          ISPLIT= 8
      -4: X=0.89040000 Y=0.85220000 Z=0.24140000
      -4: X=0.60960000 Y=0.14780000 Z=0.74140000
      -4: X=0.39040000 Y=0.85220000 Z=0.25860000
      -4: X=0.39040000 Y=0.64780000 Z=0.25860000
      -4: X=0.60960000 Y=0.35220000 Z=0.74140000
      -4: X=0.89040000 Y=0.64780000 Z=0.24140000
      -4: X=0.10960000 Y=0.35220000 Z=0.75860000
S          NPT=  781  R0=.000100000 RMT= 2.02        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=0.32540000 Y=0.25000000 Z=0.04350000
          MULT= 4          ISPLIT= 8
      -5: X=0.67460000 Y=0.75000000 Z=0.95650000
      -5: X=0.82540000 Y=0.25000000 Z=0.45650000
      -5: X=0.17460000 Y=0.75000000 Z=0.54350000
S          NPT=  781  R0=.000100000 RMT= 2.02        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.14680000 Y=0.03910000 Z=0.22640000
          MULT= 8          ISPLIT= 8
      -6: X=0.85320000 Y=0.96090000 Z=0.77360000
      -6: X=0.64680000 Y=0.03910000 Z=0.27360000
      -6: X=0.35320000 Y=0.96090000 Z=0.72640000
      -6: X=0.35320000 Y=0.53910000 Z=0.72640000
      -6: X=0.64680000 Y=0.46090000 Z=0.27360000
      -6: X=0.85320000 Y=0.53910000 Z=0.77360000
      -6: X=0.14680000 Y=0.46090000 Z=0.22640000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000