P LATTICE,NONEQUIV.ATOMS 10 62 Pnma MODE OF CALC=RELA unit=bohr 22.911040 19.541658 25.339338 90.000000 90.000000 90.000000 ATOM -1: X=0.16150000 Y=0.25000000 Z=0.68620000 MULT= 4 ISPLIT= 8 -1: X=0.83850000 Y=0.75000000 Z=0.31380000 -1: X=0.66150000 Y=0.25000000 Z=0.81380000 -1: X=0.33850000 Y=0.75000000 Z=0.18620000 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=0.08040000 Y=0.02630000 Z=0.26270000 MULT= 8 ISPLIT= 8 -2: X=0.91960000 Y=0.97370000 Z=0.73730000 -2: X=0.58040000 Y=0.02630000 Z=0.23730000 -2: X=0.41960000 Y=0.97370000 Z=0.76270000 -2: X=0.41960000 Y=0.52630000 Z=0.76270000 -2: X=0.58040000 Y=0.47370000 Z=0.23730000 -2: X=0.91960000 Y=0.52630000 Z=0.73730000 -2: X=0.08040000 Y=0.47370000 Z=0.26270000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.33040000 Y=0.52150000 Z=0.46500000 MULT= 8 ISPLIT= 8 -3: X=0.66960000 Y=0.47850000 Z=0.53500000 -3: X=0.83040000 Y=0.52150000 Z=0.03500000 -3: X=0.16960000 Y=0.47850000 Z=0.96500000 -3: X=0.16960000 Y=0.02150000 Z=0.96500000 -3: X=0.83040000 Y=0.97850000 Z=0.03500000 -3: X=0.66960000 Y=0.02150000 Z=0.53500000 -3: X=0.33040000 Y=0.97850000 Z=0.46500000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.42100000 Y=0.25000000 Z=0.06670000 MULT= 4 ISPLIT= 8 -4: X=0.57900000 Y=0.75000000 Z=0.93330000 -4: X=0.92100000 Y=0.25000000 Z=0.43330000 -4: X=0.07900000 Y=0.75000000 Z=0.56670000 Al NPT= 781 R0=.000100000 RMT= 2.31 Z: 13.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.31020000 Y=0.25000000 Z=0.30080000 MULT= 4 ISPLIT= 8 -5: X=0.68980000 Y=0.75000000 Z=0.69920000 -5: X=0.81020000 Y=0.25000000 Z=0.19920000 -5: X=0.18980000 Y=0.75000000 Z=0.80080000 Al NPT= 781 R0=.000100000 RMT= 2.31 Z: 13.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.35530000 Y=0.25000000 Z=0.87790000 MULT= 4 ISPLIT= 8 -6: X=0.64470000 Y=0.75000000 Z=0.12210000 -6: X=0.85530000 Y=0.25000000 Z=0.62210000 -6: X=0.14470000 Y=0.75000000 Z=0.37790000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.32740000 Y=0.05640000 Z=0.17090000 MULT= 8 ISPLIT= 8 -7: X=0.67260000 Y=0.94360000 Z=0.82910000 -7: X=0.82740000 Y=0.05640000 Z=0.32910000 -7: X=0.17260000 Y=0.94360000 Z=0.67090000 -7: X=0.17260000 Y=0.55640000 Z=0.67090000 -7: X=0.82740000 Y=0.44360000 Z=0.32910000 -7: X=0.67260000 Y=0.55640000 Z=0.82910000 -7: X=0.32740000 Y=0.44360000 Z=0.17090000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.14870000 Y=0.25000000 Z=0.43560000 MULT= 4 ISPLIT= 8 -8: X=0.85130000 Y=0.75000000 Z=0.56440000 -8: X=0.64870000 Y=0.25000000 Z=0.06440000 -8: X=0.35130000 Y=0.75000000 Z=0.93560000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -9: X=0.45360000 Y=0.25000000 Z=0.62000000 MULT= 4 ISPLIT= 8 -9: X=0.54640000 Y=0.75000000 Z=0.38000000 -9: X=0.95360000 Y=0.25000000 Z=0.88000000 -9: X=0.04640000 Y=0.75000000 Z=0.12000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -10: X=0.00080000 Y=0.25000000 Z=0.09070000 MULT= 4 ISPLIT= 8 -10: X=0.99920000 Y=0.75000000 Z=0.90930000 -10: X=0.50080000 Y=0.25000000 Z=0.40930000 -10: X=0.49920000 Y=0.75000000 Z=0.59070000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000