P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 24.477623  7.338751 24.719508 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.36912000 Y=0.25000000 Z=0.41743000
          MULT= 4          ISPLIT= 8
      -1: X=0.63088000 Y=0.75000000 Z=0.58257000
      -1: X=0.86912000 Y=0.25000000 Z=0.08257000
      -1: X=0.13088000 Y=0.75000000 Z=0.91743000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.10803000 Y=0.25000000 Z=0.58311000
          MULT= 4          ISPLIT= 8
      -2: X=0.89197000 Y=0.75000000 Z=0.41689000
      -2: X=0.60803000 Y=0.25000000 Z=0.91689000
      -2: X=0.39197000 Y=0.75000000 Z=0.08311000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.14554000 Y=0.25000000 Z=0.20405000
          MULT= 4          ISPLIT= 8
      -3: X=0.85446000 Y=0.75000000 Z=0.79595000
      -3: X=0.64554000 Y=0.25000000 Z=0.29595000
      -3: X=0.35446000 Y=0.75000000 Z=0.70405000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.21771000 Y=0.25000000 Z=0.76401000
          MULT= 4          ISPLIT= 8
      -4: X=0.78229000 Y=0.75000000 Z=0.23599000
      -4: X=0.71771000 Y=0.25000000 Z=0.73599000
      -4: X=0.28229000 Y=0.75000000 Z=0.26401000
S          NPT=  781  R0=.000100000 RMT= 2.35        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  -5: X=0.03318000 Y=0.25000000 Z=0.38235000
          MULT= 4          ISPLIT= 8
      -5: X=0.96682000 Y=0.75000000 Z=0.61765000
      -5: X=0.53318000 Y=0.25000000 Z=0.11765000
      -5: X=0.46682000 Y=0.75000000 Z=0.88235000
S          NPT=  781  R0=.000100000 RMT= 2.35        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=0.25509000 Y=0.25000000 Z=0.02559000
          MULT= 4          ISPLIT= 8
      -6: X=0.74491000 Y=0.75000000 Z=0.97441000
      -6: X=0.75509000 Y=0.25000000 Z=0.47441000
      -6: X=0.24491000 Y=0.75000000 Z=0.52559000
S          NPT=  781  R0=.000100000 RMT= 2.35        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  -7: X=0.47203000 Y=0.25000000 Z=0.61759000
          MULT= 4          ISPLIT= 8
      -7: X=0.52797000 Y=0.75000000 Z=0.38241000
      -7: X=0.97203000 Y=0.25000000 Z=0.88241000
      -7: X=0.02797000 Y=0.75000000 Z=0.11759000
S          NPT=  781  R0=.000100000 RMT= 2.35        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000