P LATTICE,NONEQUIV.ATOMS 8 100 P4bm MODE OF CALC=RELA unit=bohr 19.272939 19.272939 9.149109 90.000000 90.000000 90.000000 ATOM -1: X=0.68096000 Y=0.18096000 Z=0.01861000 MULT= 4 ISPLIT=15 -1: X=0.81904000 Y=0.68096000 Z=0.01861000 -1: X=0.31904000 Y=0.81904000 Z=0.01861000 -1: X=0.18096000 Y=0.31904000 Z=0.01861000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 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= 2 ISPLIT=15 -2: X=0.50000000 Y=0.50000000 Z=0.00000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.20985000 Y=0.07807000 Z=0.53440000 MULT= 8 ISPLIT=15 -3: X=0.92193000 Y=0.20985000 Z=0.53440000 -3: X=0.29015000 Y=0.57807000 Z=0.53440000 -3: X=0.79015000 Y=0.92193000 Z=0.53440000 -3: X=0.42193000 Y=0.29015000 Z=0.53440000 -3: X=0.07807000 Y=0.79015000 Z=0.53440000 -3: X=0.70985000 Y=0.42193000 Z=0.53440000 -3: X=0.57807000 Y=0.70985000 Z=0.53440000 Si NPT= 781 R0=.000100000 RMT= 2.00000 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 -4: X=0.11658000 Y=0.61658000 Z=0.04390000 MULT= 4 ISPLIT=15 -4: X=0.38342000 Y=0.11658000 Z=0.04390000 -4: X=0.88342000 Y=0.38342000 Z=0.04390000 -4: X=0.61658000 Y=0.88342000 Z=0.04390000 Si NPT= 781 R0=.000100000 RMT= 2.00000 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=0.08030000 Y=0.17790000 Z=0.63880000 MULT= 8 ISPLIT=15 -5: X=0.82210000 Y=0.08030000 Z=0.63880000 -5: X=0.41970000 Y=0.67790000 Z=0.63880000 -5: X=0.91970000 Y=0.82210000 Z=0.63880000 -5: X=0.32210000 Y=0.41970000 Z=0.63880000 -5: X=0.17790000 Y=0.91970000 Z=0.63880000 -5: X=0.58030000 Y=0.32210000 Z=0.63880000 -5: X=0.67790000 Y=0.58030000 Z=0.63880000 N NPT= 781 R0=.000100000 RMT= 2.00000 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 -6: X=0.23320000 Y=0.07390000 Z=0.18070000 MULT= 8 ISPLIT=15 -6: X=0.92610000 Y=0.23320000 Z=0.18070000 -6: X=0.26680000 Y=0.57390000 Z=0.18070000 -6: X=0.76680000 Y=0.92610000 Z=0.18070000 -6: X=0.42610000 Y=0.26680000 Z=0.18070000 -6: X=0.07390000 Y=0.76680000 Z=0.18070000 -6: X=0.73320000 Y=0.42610000 Z=0.18070000 -6: X=0.57390000 Y=0.73320000 Z=0.18070000 N NPT= 781 R0=.000100000 RMT= 2.00000 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 -7: X=0.15270000 Y=0.65270000 Z=0.69580000 MULT= 4 ISPLIT=15 -7: X=0.34730000 Y=0.15270000 Z=0.69580000 -7: X=0.84730000 Y=0.34730000 Z=0.69580000 -7: X=0.65270000 Y=0.84730000 Z=0.69580000 N NPT= 781 R0=.000100000 RMT= 2.00000 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 -8: X=0.50000000 Y=0.00000000 Z=0.07170000 MULT= 2 ISPLIT=15 -8: X=0.00000000 Y=0.50000000 Z=0.07170000 N NPT= 781 R0=.000100000 RMT= 2.00000 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000