P LATTICE,NONEQUIV.ATOMS 4 195 P23 MODE OF CALC=RELA unit=bohr 16.561182 16.561182 16.561182 90.000000 90.000000 90.000000 ATOM -1: X=0.07868000 Y=0.33612000 Z=0.14573000 MULT=12 ISPLIT= 8 -1: X=0.92132000 Y=0.66388000 Z=0.14573000 -1: X=0.07868000 Y=0.66388000 Z=0.85427000 -1: X=0.14573000 Y=0.07868000 Z=0.33612000 -1: X=0.92132000 Y=0.33612000 Z=0.85427000 -1: X=0.85427000 Y=0.92132000 Z=0.33612000 -1: X=0.14573000 Y=0.92132000 Z=0.66388000 -1: X=0.85427000 Y=0.07868000 Z=0.66388000 -1: X=0.33612000 Y=0.14573000 Z=0.07868000 -1: X=0.66388000 Y=0.85427000 Z=0.07868000 -1: X=0.33612000 Y=0.85427000 Z=0.92132000 -1: X=0.66388000 Y=0.14573000 Z=0.92132000 Si NPT= 781 R0=.000100000 RMT= 1.39 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 -2: X=0.16571000 Y=0.00000000 Z=0.50000000 MULT= 6 ISPLIT= 8 -2: X=0.83429000 Y=0.00000000 Z=0.50000000 -2: X=0.50000000 Y=0.16571000 Z=0.00000000 -2: X=0.50000000 Y=0.83429000 Z=0.00000000 -2: X=0.00000000 Y=0.50000000 Z=0.16571000 -2: X=0.00000000 Y=0.50000000 Z=0.83429000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.25406000 Y=0.00000000 Z=0.00000000 MULT= 6 ISPLIT= 8 -3: X=0.74594000 Y=0.00000000 Z=0.00000000 -3: X=0.00000000 Y=0.25406000 Z=0.00000000 -3: X=0.00000000 Y=0.74594000 Z=0.00000000 -3: X=0.00000000 Y=0.00000000 Z=0.25406000 -3: X=0.00000000 Y=0.00000000 Z=0.74594000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.07919000 Y=0.25396000 Z=0.31255000 MULT=12 ISPLIT= 8 -4: X=0.92081000 Y=0.74604000 Z=0.31255000 -4: X=0.07919000 Y=0.74604000 Z=0.68745000 -4: X=0.31255000 Y=0.07919000 Z=0.25396000 -4: X=0.92081000 Y=0.25396000 Z=0.68745000 -4: X=0.68745000 Y=0.92081000 Z=0.25396000 -4: X=0.31255000 Y=0.92081000 Z=0.74604000 -4: X=0.68745000 Y=0.07919000 Z=0.74604000 -4: X=0.25396000 Y=0.31255000 Z=0.07919000 -4: X=0.74604000 Y=0.68745000 Z=0.07919000 -4: X=0.25396000 Y=0.68745000 Z=0.92081000 -4: X=0.74604000 Y=0.31255000 Z=0.92081000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000