P   LATTICE,NONEQUIV.ATOMS  12   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 32.996319  8.107870 33.942127 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.02046000 Y=0.25000000 Z=0.62073000
          MULT= 4          ISPLIT= 8
      -1: X=0.97954000 Y=0.75000000 Z=0.37927000
      -1: X=0.52046000 Y=0.25000000 Z=0.87927000
      -1: X=0.47954000 Y=0.75000000 Z=0.12073000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.04258000 Y=0.25000000 Z=0.13045000
          MULT= 4          ISPLIT= 8
      -2: X=0.95742000 Y=0.75000000 Z=0.86955000
      -2: X=0.54258000 Y=0.25000000 Z=0.36955000
      -2: X=0.45742000 Y=0.75000000 Z=0.63045000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.15773000 Y=0.25000000 Z=0.81209000
          MULT= 4          ISPLIT= 8
      -3: X=0.84227000 Y=0.75000000 Z=0.18791000
      -3: X=0.65773000 Y=0.25000000 Z=0.68791000
      -3: X=0.34227000 Y=0.75000000 Z=0.31209000
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=0.31191000 Y=0.25000000 Z=0.77898000
          MULT= 4          ISPLIT= 8
      -4: X=0.68809000 Y=0.75000000 Z=0.22102000
      -4: X=0.81191000 Y=0.25000000 Z=0.72102000
      -4: X=0.18809000 Y=0.75000000 Z=0.27898000
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  -5: X=0.17319000 Y=0.25000000 Z=0.44182000
          MULT= 4          ISPLIT= 8
      -5: X=0.82681000 Y=0.75000000 Z=0.55818000
      -5: X=0.67319000 Y=0.25000000 Z=0.05818000
      -5: X=0.32681000 Y=0.75000000 Z=0.94182000
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  -6: X=0.32928000 Y=0.25000000 Z=0.47149000
          MULT= 4          ISPLIT= 8
      -6: X=0.67072000 Y=0.75000000 Z=0.52851000
      -6: X=0.82928000 Y=0.25000000 Z=0.02851000
      -6: X=0.17072000 Y=0.75000000 Z=0.97149000
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  -7: X=0.28915000 Y=0.25000000 Z=0.12686000
          MULT= 4          ISPLIT= 8
      -7: X=0.71085000 Y=0.75000000 Z=0.87314000
      -7: X=0.78915000 Y=0.25000000 Z=0.37314000
      -7: X=0.21085000 Y=0.75000000 Z=0.62686000
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  -8: X=0.10370000 Y=0.25000000 Z=0.30931000
          MULT= 4          ISPLIT= 8
      -8: X=0.89630000 Y=0.75000000 Z=0.69069000
      -8: X=0.60370000 Y=0.25000000 Z=0.19069000
      -8: X=0.39630000 Y=0.75000000 Z=0.80931000
As         NPT=  781  R0=.000050000 RMT= 2.43        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -9: X=0.38575000 Y=0.25000000 Z=0.01156000
          MULT= 4          ISPLIT= 8
      -9: X=0.61425000 Y=0.75000000 Z=0.98844000
      -9: X=0.88575000 Y=0.25000000 Z=0.48844000
      -9: X=0.11425000 Y=0.75000000 Z=0.51156000
As         NPT=  781  R0=.000050000 RMT= 2.43        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM -10: X=0.39297000 Y=0.25000000 Z=0.23718000
          MULT= 4          ISPLIT= 8
     -10: X=0.60703000 Y=0.75000000 Z=0.76282000
     -10: X=0.89297000 Y=0.25000000 Z=0.26282000
     -10: X=0.10703000 Y=0.75000000 Z=0.73718000
As         NPT=  781  R0=.000050000 RMT= 2.43        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM -11: X=0.58216000 Y=0.25000000 Z=0.55705000
          MULT= 4          ISPLIT= 8
     -11: X=0.41784000 Y=0.75000000 Z=0.44295000
     -11: X=0.08216000 Y=0.25000000 Z=0.94295000
     -11: X=0.91784000 Y=0.75000000 Z=0.05705000
As         NPT=  781  R0=.000050000 RMT= 2.43        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM -12: X=0.30407000 Y=0.25000000 Z=0.62603000
          MULT= 4          ISPLIT= 8
     -12: X=0.69593000 Y=0.75000000 Z=0.37397000
     -12: X=0.80407000 Y=0.25000000 Z=0.87397000
     -12: X=0.19593000 Y=0.75000000 Z=0.12603000
As         NPT=  781  R0=.000050000 RMT= 2.43        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000