P LATTICE,NONEQUIV.ATOMS 6 19 P212121 MODE OF CALC=RELA unit=bohr 8.751133 13.491322 19.668081 90.000000 90.000000 90.000000 ATOM -1: X=0.07340000 Y=0.62930000 Z=0.11780000 MULT= 4 ISPLIT= 8 -1: X=0.42660000 Y=0.37070000 Z=0.61780000 -1: X=0.57340000 Y=0.87070000 Z=0.88220000 -1: X=0.92660000 Y=0.12930000 Z=0.38220000 Ag NPT= 781 R0=.000010000 RMT= 2.18 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=0.48000000 Y=0.39710000 Z=0.27410000 MULT= 4 ISPLIT= 8 -2: X=0.02000000 Y=0.60290000 Z=0.77410000 -2: X=0.98000000 Y=0.10290000 Z=0.72590000 -2: X=0.52000000 Y=0.89710000 Z=0.22590000 Ag NPT= 781 R0=.000010000 RMT= 2.18 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 -3: X=0.03110000 Y=0.13440000 Z=0.06290000 MULT= 4 ISPLIT= 8 -3: X=0.46890000 Y=0.86560000 Z=0.56290000 -3: X=0.53110000 Y=0.36560000 Z=0.93710000 -3: X=0.96890000 Y=0.63440000 Z=0.43710000 Ge NPT= 781 R0=.000050000 RMT= 1.69 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.12400000 Y=0.40600000 Z=0.45340000 MULT= 4 ISPLIT= 8 -4: X=0.37600000 Y=0.59400000 Z=0.95340000 -4: X=0.62400000 Y=0.09400000 Z=0.54660000 -4: X=0.87600000 Y=0.90600000 Z=0.04660000 O NPT= 781 R0=.000100000 RMT= 1.53 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.20800000 Y=0.13600000 Z=0.21730000 MULT= 4 ISPLIT= 8 -5: X=0.29200000 Y=0.86400000 Z=0.71730000 -5: X=0.70800000 Y=0.36400000 Z=0.78270000 -5: X=0.79200000 Y=0.63600000 Z=0.28270000 O NPT= 781 R0=.000100000 RMT= 1.53 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.78600000 Y=0.32000000 Z=0.05200000 MULT= 4 ISPLIT= 8 -6: X=0.71400000 Y=0.68000000 Z=0.55200000 -6: X=0.28600000 Y=0.18000000 Z=0.94800000 -6: X=0.21400000 Y=0.82000000 Z=0.44800000 O NPT= 781 R0=.000100000 RMT= 1.53 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000