P LATTICE,NONEQUIV.ATOMS 4 19 P212121 MODE OF CALC=RELA unit=bohr 13.880038 14.314675 25.082335 90.000000 90.000000 90.000000 ATOM -1: X=0.67500000 Y=0.16380000 Z=0.21840000 MULT= 4 ISPLIT= 8 -1: X=0.82500000 Y=0.83620000 Z=0.71840000 -1: X=0.17500000 Y=0.33620000 Z=0.78160000 -1: X=0.32500000 Y=0.66380000 Z=0.28160000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.09170000 Y=0.10700000 Z=0.41520000 MULT= 4 ISPLIT= 8 -2: X=0.40830000 Y=0.89300000 Z=0.91520000 -2: X=0.59170000 Y=0.39300000 Z=0.58480000 -2: X=0.90830000 Y=0.60700000 Z=0.08480000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.41040000 Y=0.43490000 Z=0.03040000 MULT= 4 ISPLIT= 8 -3: X=0.08960000 Y=0.56510000 Z=0.53040000 -3: X=0.91040000 Y=0.06510000 Z=0.96960000 -3: X=0.58960000 Y=0.93490000 Z=0.46960000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.17680000 Y=0.17420000 Z=0.11420000 MULT= 4 ISPLIT= 8 -4: X=0.32320000 Y=0.82580000 Z=0.61420000 -4: X=0.67680000 Y=0.32580000 Z=0.88580000 -4: X=0.82320000 Y=0.67420000 Z=0.38580000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000