P LATTICE,NONEQUIV.ATOMS 7 62 Pnma MODE OF CALC=RELA unit=bohr 19.048439 6.425069 22.506638 90.000000 90.000000 90.000000 ATOM -1: X=0.24900000 Y=0.25000000 Z=0.65300000 MULT= 4 ISPLIT= 8 -1: X=0.75100000 Y=0.75000000 Z=0.34700000 -1: X=0.74900000 Y=0.25000000 Z=0.84700000 -1: X=0.25100000 Y=0.75000000 Z=0.15300000 Sr NPT= 781 R0=.000010000 RMT= 2.33 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=0.07600000 Y=0.25000000 Z=0.39100000 MULT= 4 ISPLIT= 8 -2: X=0.92400000 Y=0.75000000 Z=0.60900000 -2: X=0.57600000 Y=0.25000000 Z=0.10900000 -2: X=0.42400000 Y=0.75000000 Z=0.89100000 Y NPT= 781 R0=.000010000 RMT= 2.17 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=0.57400000 Y=0.25000000 Z=0.60900000 MULT= 4 ISPLIT= 8 -3: X=0.42600000 Y=0.75000000 Z=0.39100000 -3: X=0.07400000 Y=0.25000000 Z=0.89100000 -3: X=0.92600000 Y=0.75000000 Z=0.10900000 Y NPT= 781 R0=.000010000 RMT= 2.17 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=0.29000000 Y=0.25000000 Z=0.30700000 MULT= 4 ISPLIT= 8 -4: X=0.71000000 Y=0.75000000 Z=0.69300000 -4: X=0.79000000 Y=0.25000000 Z=0.19300000 -4: X=0.21000000 Y=0.75000000 Z=0.80700000 O NPT= 781 R0=.000100000 RMT= 1.97 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.36100000 Y=0.25000000 Z=0.03300000 MULT= 4 ISPLIT= 8 -5: X=0.63900000 Y=0.75000000 Z=0.96700000 -5: X=0.86100000 Y=0.25000000 Z=0.46700000 -5: X=0.13900000 Y=0.75000000 Z=0.53300000 O NPT= 781 R0=.000100000 RMT= 1.97 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.48000000 Y=0.25000000 Z=0.77600000 MULT= 4 ISPLIT= 8 -6: X=0.52000000 Y=0.75000000 Z=0.22400000 -6: X=0.98000000 Y=0.25000000 Z=0.72400000 -6: X=0.02000000 Y=0.75000000 Z=0.27600000 O NPT= 781 R0=.000100000 RMT= 1.97 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.08600000 Y=0.25000000 Z=0.09000000 MULT= 4 ISPLIT= 8 -7: X=0.91400000 Y=0.75000000 Z=0.91000000 -7: X=0.58600000 Y=0.25000000 Z=0.41000000 -7: X=0.41400000 Y=0.75000000 Z=0.59000000 O NPT= 781 R0=.000100000 RMT= 1.97 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000