P LATTICE,NONEQUIV.ATOMS 9 19 P212121 MODE OF CALC=RELA unit=bohr 9.297075 14.923734 21.446502 90.000000 90.000000 90.000000 ATOM -1: X=0.50880000 Y=0.04132000 Z=0.16580000 MULT= 4 ISPLIT= 8 -1: X=0.99120000 Y=0.95868000 Z=0.66580000 -1: X=0.00880000 Y=0.45868000 Z=0.83420000 -1: X=0.49120000 Y=0.54132000 Z=0.33420000 Sr NPT= 781 R0=.000010000 RMT= 2.35 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 -2: X=0.00390000 Y=0.33320000 Z=0.15640000 MULT= 4 ISPLIT= 8 -2: X=0.49610000 Y=0.66680000 Z=0.65640000 -2: X=0.50390000 Y=0.16680000 Z=0.84360000 -2: X=0.99610000 Y=0.83320000 Z=0.34360000 Al NPT= 781 R0=.000100000 RMT= 1.57 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.51340000 Y=0.46890000 Z=0.04293000 MULT= 4 ISPLIT= 8 -3: X=0.98660000 Y=0.53110000 Z=0.54293000 -3: X=0.01340000 Y=0.03110000 Z=0.95707000 -3: X=0.48660000 Y=0.96890000 Z=0.45707000 Al NPT= 781 R0=.000100000 RMT= 1.57 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.01380000 Y=0.20130000 Z=0.41952000 MULT= 4 ISPLIT= 8 -4: X=0.48620000 Y=0.79870000 Z=0.91952000 -4: X=0.51380000 Y=0.29870000 Z=0.58048000 -4: X=0.98620000 Y=0.70130000 Z=0.08048000 Si NPT= 781 R0=.000100000 RMT= 1.49 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.04140000 Y=0.15420000 Z=0.07650000 MULT= 4 ISPLIT= 8 -5: X=0.45860000 Y=0.84580000 Z=0.57650000 -5: X=0.54140000 Y=0.34580000 Z=0.92350000 -5: X=0.95860000 Y=0.65420000 Z=0.42350000 O NPT= 781 R0=.000100000 RMT= 1.57 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=0.66710000 Y=0.37700000 Z=0.16160000 MULT= 4 ISPLIT= 8 -6: X=0.83290000 Y=0.62300000 Z=0.66160000 -6: X=0.16710000 Y=0.12300000 Z=0.83840000 -6: X=0.33290000 Y=0.87700000 Z=0.33840000 O NPT= 781 R0=.000100000 RMT= 1.57 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 -7: X=0.12880000 Y=0.28700000 Z=0.29030000 MULT= 4 ISPLIT= 8 -7: X=0.37120000 Y=0.71300000 Z=0.79030000 -7: X=0.62880000 Y=0.21300000 Z=0.70970000 -7: X=0.87120000 Y=0.78700000 Z=0.20970000 O NPT= 781 R0=.000100000 RMT= 1.57 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 -8: X=0.17820000 Y=0.50840000 Z=0.08990000 MULT= 4 ISPLIT= 8 -8: X=0.32180000 Y=0.49160000 Z=0.58990000 -8: X=0.67820000 Y=0.99160000 Z=0.91010000 -8: X=0.82180000 Y=0.00840000 Z=0.41010000 N NPT= 781 R0=.000100000 RMT= 1.61 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.31260000 Y=0.15150000 Z=0.50230000 MULT= 4 ISPLIT= 8 -9: X=0.18740000 Y=0.84850000 Z=0.00230000 -9: X=0.81260000 Y=0.34850000 Z=0.49770000 -9: X=0.68740000 Y=0.65150000 Z=0.99770000 N NPT= 781 R0=.000100000 RMT= 1.61 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000