R LATTICE,NONEQUIV.ATOMS 4 148 R-3 MODE OF CALC=RELA unit=bohr 18.825452 18.825452 35.167801 90.000000 90.000000120.000000 ATOM -1: X=0.41210000 Y=0.85861000 Z=0.04030000 MULT= 6 ISPLIT= 8 -1: X=0.58790000 Y=0.14139000 Z=0.95970000 -1: X=0.85861000 Y=0.04030000 Z=0.41210000 -1: X=0.14139000 Y=0.95970000 Z=0.58790000 -1: X=0.04030000 Y=0.41210000 Z=0.85861000 -1: X=0.95970000 Y=0.58790000 Z=0.14139000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 4 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=0.20720000 Y=0.20720000 Z=0.20720000 MULT= 2 ISPLIT= 4 -3: X=0.79280000 Y=0.79280000 Z=0.79280000 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=0.34840000 Y=0.60021000 Z=0.83340000 MULT= 6 ISPLIT= 8 -4: X=0.65160000 Y=0.39979000 Z=0.16660000 -4: X=0.60021000 Y=0.83340000 Z=0.34840000 -4: X=0.39979000 Y=0.16660000 Z=0.65160000 -4: X=0.83340000 Y=0.34840000 Z=0.60021000 -4: X=0.16660000 Y=0.65160000 Z=0.39979000 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