P LATTICE,NONEQUIV.ATOMS 6 113 P-421m MODE OF CALC=RELA unit=bohr 14.579237 14.579237 9.221864 90.000000 90.000000 90.000000 ATOM -1: X=0.14370000 Y=0.64370000 Z=0.32420000 MULT= 4 ISPLIT= 8 -1: X=0.64370000 Y=0.85630000 Z=0.67580000 -1: X=0.85630000 Y=0.35630000 Z=0.32420000 -1: X=0.35630000 Y=0.14370000 Z=0.67580000 Si NPT= 781 R0=.000100000 RMT= 1.41 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.50000000 Z=0.19570000 MULT= 2 ISPLIT= 8 -2: X=0.50000000 Y=0.00000000 Z=0.80430000 O NPT= 781 R0=.000100000 RMT= 1.63 Z: 8.00000 LOCAL ROT MATRIX: 0.7071068 0.7071068 0.0000000 -0.7071068 0.7071068 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.13250000 Y=0.63250000 Z=0.65490000 MULT= 4 ISPLIT= 8 -3: X=0.63250000 Y=0.86750000 Z=0.34510000 -3: X=0.86750000 Y=0.36750000 Z=0.65490000 -3: X=0.36750000 Y=0.13250000 Z=0.34510000 O NPT= 781 R0=.000100000 RMT= 1.63 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -4: X=0.33560000 Y=0.59690000 Z=0.20850000 MULT= 8 ISPLIT= 8 -4: X=0.59690000 Y=0.66440000 Z=0.79150000 -4: X=0.83560000 Y=0.90310000 Z=0.79150000 -4: X=0.66440000 Y=0.40310000 Z=0.20850000 -4: X=0.90310000 Y=0.16440000 Z=0.20850000 -4: X=0.40310000 Y=0.33560000 Z=0.79150000 -4: X=0.16440000 Y=0.09690000 Z=0.79150000 -4: X=0.09690000 Y=0.83560000 Z=0.20850000 O NPT= 781 R0=.000100000 RMT= 1.63 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=0.60780000 Y=0.10780000 Z=0.18620000 MULT= 4 ISPLIT= 8 -5: X=0.10780000 Y=0.39220000 Z=0.81380000 -5: X=0.39220000 Y=0.89220000 Z=0.18620000 -5: X=0.89220000 Y=0.60780000 Z=0.81380000 Li NPT= 781 R0=.000100000 RMT= 1.59 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -6: X=0.13900000 Y=0.07600000 Z=0.20040000 MULT= 8 ISPLIT= 8 -6: X=0.07600000 Y=0.86100000 Z=0.79960000 -6: X=0.63900000 Y=0.42400000 Z=0.79960000 -6: X=0.86100000 Y=0.92400000 Z=0.20040000 -6: X=0.42400000 Y=0.36100000 Z=0.20040000 -6: X=0.92400000 Y=0.13900000 Z=0.79960000 -6: X=0.36100000 Y=0.57600000 Z=0.79960000 -6: X=0.57600000 Y=0.63900000 Z=0.20040000 Li NPT= 781 R0=.000100000 RMT= 1.59 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000