P LATTICE,NONEQUIV.ATOMS 7 62 Pnma MODE OF CALC=RELA unit=bohr 22.627581 7.516386 27.011745 90.000000 90.000000 90.000000 ATOM -1: X=0.24241000 Y=0.25000000 Z=0.66171000 MULT= 4 ISPLIT= 8 -1: X=0.75759000 Y=0.75000000 Z=0.33829000 -1: X=0.74241000 Y=0.25000000 Z=0.83829000 -1: X=0.25759000 Y=0.75000000 Z=0.16171000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.56781000 Y=0.25000000 Z=0.61024000 MULT= 4 ISPLIT= 8 -2: X=0.43219000 Y=0.75000000 Z=0.38976000 -2: X=0.06781000 Y=0.25000000 Z=0.88976000 -2: X=0.93219000 Y=0.75000000 Z=0.11024000 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=0.08092000 Y=0.25000000 Z=0.39911000 MULT= 4 ISPLIT= 8 -3: X=0.91908000 Y=0.75000000 Z=0.60089000 -3: X=0.58092000 Y=0.25000000 Z=0.10089000 -3: X=0.41908000 Y=0.75000000 Z=0.89911000 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=0.47809000 Y=0.25000000 Z=0.78411000 MULT= 4 ISPLIT= 8 -4: X=0.52191000 Y=0.75000000 Z=0.21589000 -4: X=0.97809000 Y=0.25000000 Z=0.71589000 -4: X=0.02191000 Y=0.75000000 Z=0.28411000 S NPT= 781 R0=.000100000 RMT= 2.32 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=0.08631000 Y=0.25000000 Z=0.07845000 MULT= 4 ISPLIT= 8 -5: X=0.91369000 Y=0.75000000 Z=0.92155000 -5: X=0.58631000 Y=0.25000000 Z=0.42155000 -5: X=0.41369000 Y=0.75000000 Z=0.57845000 S NPT= 781 R0=.000100000 RMT= 2.32 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=0.29257000 Y=0.25000000 Z=0.32568000 MULT= 4 ISPLIT= 8 -6: X=0.70743000 Y=0.75000000 Z=0.67432000 -6: X=0.79257000 Y=0.25000000 Z=0.17432000 -6: X=0.20743000 Y=0.75000000 Z=0.82568000 S NPT= 781 R0=.000100000 RMT= 2.32 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=0.36974000 Y=0.25000000 Z=0.02649000 MULT= 4 ISPLIT= 8 -7: X=0.63026000 Y=0.75000000 Z=0.97351000 -7: X=0.86974000 Y=0.25000000 Z=0.47351000 -7: X=0.13026000 Y=0.75000000 Z=0.52649000 S NPT= 781 R0=.000100000 RMT= 2.32 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000