P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.998302  8.129602 37.745390 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15130000 Y=0.25000000 Z=0.36681000
          MULT= 4          ISPLIT= 8
      -1: X=0.84870000 Y=0.75000000 Z=0.63319000
      -1: X=0.65130000 Y=0.25000000 Z=0.13319000
      -1: X=0.34870000 Y=0.75000000 Z=0.86681000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.17970000 Y=0.25000000 Z=0.01299000
          MULT= 4          ISPLIT= 8
      -2: X=0.82030000 Y=0.75000000 Z=0.98701000
      -2: X=0.67970000 Y=0.25000000 Z=0.48701000
      -2: X=0.32030000 Y=0.75000000 Z=0.51299000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.55530000 Y=0.25000000 Z=0.60573000
          MULT= 4          ISPLIT= 8
      -3: X=0.44470000 Y=0.75000000 Z=0.39427000
      -3: X=0.05530000 Y=0.25000000 Z=0.89427000
      -3: X=0.94470000 Y=0.75000000 Z=0.10573000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.24090000 Y=0.25000000 Z=0.80133000
          MULT= 4          ISPLIT= 8
      -4: X=0.75910000 Y=0.75000000 Z=0.19867000
      -4: X=0.74090000 Y=0.25000000 Z=0.69867000
      -4: X=0.25910000 Y=0.75000000 Z=0.30133000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.08940000 Y=0.25000000 Z=0.14365000
          MULT= 4          ISPLIT= 8
      -5: X=0.91060000 Y=0.75000000 Z=0.85635000
      -5: X=0.58940000 Y=0.25000000 Z=0.35635000
      -5: X=0.41060000 Y=0.75000000 Z=0.64365000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.15900000 Y=0.25000000 Z=0.50672000
          MULT= 4          ISPLIT= 8
      -6: X=0.84100000 Y=0.75000000 Z=0.49328000
      -6: X=0.65900000 Y=0.25000000 Z=0.99328000
      -6: X=0.34100000 Y=0.75000000 Z=0.00672000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.42890000 Y=0.25000000 Z=0.17295000
          MULT= 4          ISPLIT= 8
      -7: X=0.57110000 Y=0.75000000 Z=0.82705000
      -7: X=0.92890000 Y=0.25000000 Z=0.32705000
      -7: X=0.07110000 Y=0.75000000 Z=0.67295000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000