P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.139481 20.866356 18.254754 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.28765000 Y=0.25000000 Z=0.01540000
          MULT= 4          ISPLIT= 8
      -1: X=0.71235000 Y=0.75000000 Z=0.98460000
      -1: X=0.78765000 Y=0.25000000 Z=0.48460000
      -1: X=0.21235000 Y=0.75000000 Z=0.51540000
Nb         NPT=  781  R0=.000010000 RMT= 2.24        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.05567000 Y=0.04661000 Z=0.29262000
          MULT= 8          ISPLIT= 8
      -2: X=0.94433000 Y=0.95339000 Z=0.70738000
      -2: X=0.55567000 Y=0.04661000 Z=0.20738000
      -2: X=0.44433000 Y=0.95339000 Z=0.79262000
      -2: X=0.44433000 Y=0.54661000 Z=0.79262000
      -2: X=0.55567000 Y=0.45339000 Z=0.20738000
      -2: X=0.94433000 Y=0.54661000 Z=0.70738000
      -2: X=0.05567000 Y=0.45339000 Z=0.29262000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.36888000 Y=0.25000000 Z=0.58898000
          MULT= 4          ISPLIT= 8
      -3: X=0.63112000 Y=0.75000000 Z=0.41102000
      -3: X=0.86888000 Y=0.25000000 Z=0.91102000
      -3: X=0.13112000 Y=0.75000000 Z=0.08898000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.01685000 Y=0.25000000 Z=0.58477000
          MULT= 4          ISPLIT= 8
      -4: X=0.98315000 Y=0.75000000 Z=0.41523000
      -4: X=0.51685000 Y=0.25000000 Z=0.91523000
      -4: X=0.48315000 Y=0.75000000 Z=0.08477000
Se         NPT=  781  R0=.000050000 RMT= 2.24        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.30877000 Y=0.25000000 Z=0.26164000
          MULT= 4          ISPLIT= 8
      -5: X=0.69123000 Y=0.75000000 Z=0.73836000
      -5: X=0.80877000 Y=0.25000000 Z=0.23836000
      -5: X=0.19123000 Y=0.75000000 Z=0.76164000
Se         NPT=  781  R0=.000050000 RMT= 2.24        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.33399000 Y=0.57095000 Z=0.44699000
          MULT= 8          ISPLIT= 8
      -6: X=0.66601000 Y=0.42905000 Z=0.55301000
      -6: X=0.83399000 Y=0.57095000 Z=0.05301000
      -6: X=0.16601000 Y=0.42905000 Z=0.94699000
      -6: X=0.16601000 Y=0.07095000 Z=0.94699000
      -6: X=0.83399000 Y=0.92905000 Z=0.05301000
      -6: X=0.66601000 Y=0.07095000 Z=0.55301000
      -6: X=0.33399000 Y=0.92905000 Z=0.44699000
Se         NPT=  781  R0=.000050000 RMT= 2.24        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000