P LATTICE,NONEQUIV.ATOMS 4 19 P212121 MODE OF CALC=RELA unit=bohr 11.329664 11.882976 20.008231 90.000000 90.000000 90.000000 ATOM -1: X=0.65250000 Y=0.15860000 Z=0.20500000 MULT= 4 ISPLIT= 8 -1: X=0.84750000 Y=0.84140000 Z=0.70500000 -1: X=0.15250000 Y=0.34140000 Z=0.79500000 -1: X=0.34750000 Y=0.65860000 Z=0.29500000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.11300000 Y=0.10130000 Z=0.42230000 MULT= 4 ISPLIT= 8 -2: X=0.38700000 Y=0.89870000 Z=0.92230000 -2: X=0.61300000 Y=0.39870000 Z=0.57770000 -2: X=0.88700000 Y=0.60130000 Z=0.07770000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.38490000 Y=0.46250000 Z=0.04040000 MULT= 4 ISPLIT= 8 -3: X=0.11510000 Y=0.53750000 Z=0.54040000 -3: X=0.88490000 Y=0.03750000 Z=0.95960000 -3: X=0.61510000 Y=0.96250000 Z=0.45960000 As NPT= 781 R0=.000050000 RMT= 2.34 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.15250000 Y=0.16820000 Z=0.12650000 MULT= 4 ISPLIT= 8 -4: X=0.34750000 Y=0.83180000 Z=0.62650000 -4: X=0.65250000 Y=0.33180000 Z=0.87350000 -4: X=0.84750000 Y=0.66820000 Z=0.37350000 As NPT= 781 R0=.000050000 RMT= 2.34 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000