P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.750198 20.700060 18.099797 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.33832000 Y=0.08392000 Z=0.46283000
          MULT= 8          ISPLIT= 8
      -1: X=0.66168000 Y=0.91608000 Z=0.53717000
      -1: X=0.83832000 Y=0.08392000 Z=0.03717000
      -1: X=0.16168000 Y=0.91608000 Z=0.96283000
      -1: X=0.16168000 Y=0.58392000 Z=0.96283000
      -1: X=0.83832000 Y=0.41608000 Z=0.03717000
      -1: X=0.66168000 Y=0.58392000 Z=0.53717000
      -1: X=0.33832000 Y=0.41608000 Z=0.46283000
Se         NPT=  781  R0=.000050000 RMT= 2.27        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.01219000 Y=0.25000000 Z=0.41529000
          MULT= 4          ISPLIT= 8
      -2: X=0.98781000 Y=0.75000000 Z=0.58471000
      -2: X=0.51219000 Y=0.25000000 Z=0.08471000
      -2: X=0.48781000 Y=0.75000000 Z=0.91529000
Se         NPT=  781  R0=.000050000 RMT= 2.27        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  -3: X=0.19104000 Y=0.25000000 Z=0.74941000
          MULT= 4          ISPLIT= 8
      -3: X=0.80896000 Y=0.75000000 Z=0.25059000
      -3: X=0.69104000 Y=0.25000000 Z=0.75059000
      -3: X=0.30896000 Y=0.75000000 Z=0.24941000
Se         NPT=  781  R0=.000050000 RMT= 2.27        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  -4: X=0.14571000 Y=0.25000000 Z=0.08723000
          MULT= 4          ISPLIT= 8
      -4: X=0.85429000 Y=0.75000000 Z=0.91277000
      -4: X=0.64571000 Y=0.25000000 Z=0.41277000
      -4: X=0.35429000 Y=0.75000000 Z=0.58723000
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  -5: X=0.22116000 Y=0.25000000 Z=0.52181000
          MULT= 4          ISPLIT= 8
      -5: X=0.77884000 Y=0.75000000 Z=0.47819000
      -5: X=0.72116000 Y=0.25000000 Z=0.97819000
      -5: X=0.27884000 Y=0.75000000 Z=0.02181000
P          NPT=  781  R0=.000100000 RMT= 1.86        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  -6: X=0.05356000 Y=0.54473000 Z=0.30151000
          MULT= 8          ISPLIT= 8
      -6: X=0.94644000 Y=0.45527000 Z=0.69849000
      -6: X=0.55356000 Y=0.54473000 Z=0.19849000
      -6: X=0.44644000 Y=0.45527000 Z=0.80151000
      -6: X=0.44644000 Y=0.04473000 Z=0.80151000
      -6: X=0.55356000 Y=0.95527000 Z=0.19849000
      -6: X=0.94644000 Y=0.04473000 Z=0.69849000
      -6: X=0.05356000 Y=0.95527000 Z=0.30151000
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