P   LATTICE,NONEQUIV.ATOMS   6   57 Pbcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.550676 22.495300 11.034111 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15911000 Y=0.74615000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.84089000 Y=0.25385000 Z=0.75000000
      -1: X=0.84089000 Y=0.24615000 Z=0.25000000
      -1: X=0.15911000 Y=0.75385000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.07        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.34433000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.65567000 Y=0.75000000 Z=0.00000000
      -2: X=0.34433000 Y=0.25000000 Z=0.50000000
      -2: X=0.65567000 Y=0.75000000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 2.07        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.19260000 Y=0.00350000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.80740000 Y=0.99650000 Z=0.75000000
      -3: X=0.80740000 Y=0.50350000 Z=0.25000000
      -3: X=0.19260000 Y=0.49650000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.14        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00710000 Y=0.36190000 Z=0.00580000
          MULT= 8          ISPLIT= 8
      -4: X=0.99290000 Y=0.63810000 Z=0.99420000
      -4: X=0.00710000 Y=0.36190000 Z=0.49420000
      -4: X=0.99290000 Y=0.63810000 Z=0.50580000
      -4: X=0.99290000 Y=0.86190000 Z=0.00580000
      -4: X=0.00710000 Y=0.13810000 Z=0.99420000
      -4: X=0.99290000 Y=0.86190000 Z=0.49420000
      -4: X=0.00710000 Y=0.13810000 Z=0.50580000
O          NPT=  781  R0=.000100000 RMT= 1.88        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=0.50750000 Y=0.14030000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.49250000 Y=0.85970000 Z=0.75000000
      -5: X=0.49250000 Y=0.64030000 Z=0.25000000
      -5: X=0.50750000 Y=0.35970000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.88        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=0.51400000 Y=0.35630000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.48600000 Y=0.64370000 Z=0.75000000
      -6: X=0.48600000 Y=0.85630000 Z=0.25000000
      -6: X=0.51400000 Y=0.14370000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.88        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000