P LATTICE,NONEQUIV.ATOMS 7 62 Pnma MODE OF CALC=RELA unit=bohr 23.602679 7.842363 28.119125 90.000000 90.000000 90.000000 ATOM -1: X=0.24000000 Y=0.25000000 Z=0.67600000 MULT= 4 ISPLIT= 8 -1: X=0.76000000 Y=0.75000000 Z=0.32400000 -1: X=0.74000000 Y=0.25000000 Z=0.82400000 -1: X=0.26000000 Y=0.75000000 Z=0.17600000 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=0.55100000 Y=0.25000000 Z=0.61200000 MULT= 4 ISPLIT= 8 -2: X=0.44900000 Y=0.75000000 Z=0.38800000 -2: X=0.05100000 Y=0.25000000 Z=0.88800000 -2: X=0.94900000 Y=0.75000000 Z=0.11200000 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=0.08400000 Y=0.25000000 Z=0.40500000 MULT= 4 ISPLIT= 8 -3: X=0.91600000 Y=0.75000000 Z=0.59500000 -3: X=0.58400000 Y=0.25000000 Z=0.09500000 -3: X=0.41600000 Y=0.75000000 Z=0.90500000 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=0.29800000 Y=0.25000000 Z=0.34500000 MULT= 4 ISPLIT= 8 -4: X=0.70200000 Y=0.75000000 Z=0.65500000 -4: X=0.79800000 Y=0.25000000 Z=0.15500000 -4: X=0.20200000 Y=0.75000000 Z=0.84500000 Se NPT= 781 R0=.000050000 RMT= 2.50000 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=0.37600000 Y=0.25000000 Z=0.02900000 MULT= 4 ISPLIT= 8 -5: X=0.62400000 Y=0.75000000 Z=0.97100000 -5: X=0.87600000 Y=0.25000000 Z=0.47100000 -5: X=0.12400000 Y=0.75000000 Z=0.52900000 Se NPT= 781 R0=.000050000 RMT= 2.50000 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=0.46700000 Y=0.25000000 Z=0.78600000 MULT= 4 ISPLIT= 8 -6: X=0.53300000 Y=0.75000000 Z=0.21400000 -6: X=0.96700000 Y=0.25000000 Z=0.71400000 -6: X=0.03300000 Y=0.75000000 Z=0.28600000 Se NPT= 781 R0=.000050000 RMT= 2.50000 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 -7: X=0.09100000 Y=0.25000000 Z=0.07300000 MULT= 4 ISPLIT= 8 -7: X=0.90900000 Y=0.75000000 Z=0.92700000 -7: X=0.59100000 Y=0.25000000 Z=0.42700000 -7: X=0.40900000 Y=0.75000000 Z=0.57300000 Se NPT= 781 R0=.000050000 RMT= 2.50000 Z: 34.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000