P LATTICE,NONEQUIV.ATOMS 10 19 P212121 MODE OF CALC=RELA unit=bohr 14.129671 14.298802 21.998491 90.000000 90.000000 90.000000 ATOM -1: X=0.22110000 Y=0.21880000 Z=0.01580000 MULT= 4 ISPLIT= 8 -1: X=0.27890000 Y=0.78120000 Z=0.51580000 -1: X=0.72110000 Y=0.28120000 Z=0.98420000 -1: X=0.77890000 Y=0.71880000 Z=0.48420000 Sb NPT= 781 R0=.000010000 RMT= 1.89 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 -2: X=0.47160000 Y=0.06560000 Z=0.23840000 MULT= 4 ISPLIT= 8 -2: X=0.02840000 Y=0.93440000 Z=0.73840000 -2: X=0.97160000 Y=0.43440000 Z=0.76160000 -2: X=0.52840000 Y=0.56560000 Z=0.26160000 Sb NPT= 781 R0=.000010000 RMT= 1.89 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 -3: X=0.00790000 Y=0.49500000 Z=0.25500000 MULT= 4 ISPLIT= 8 -3: X=0.49210000 Y=0.50500000 Z=0.75500000 -3: X=0.50790000 Y=0.00500000 Z=0.74500000 -3: X=0.99210000 Y=0.99500000 Z=0.24500000 Sb NPT= 781 R0=.000010000 RMT= 1.89 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=0.23580000 Y=0.25950000 Z=0.48820000 MULT= 4 ISPLIT= 8 -4: X=0.26420000 Y=0.74050000 Z=0.98820000 -4: X=0.73580000 Y=0.24050000 Z=0.51180000 -4: X=0.76420000 Y=0.75950000 Z=0.01180000 Sb NPT= 781 R0=.000010000 RMT= 1.89 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 -5: X=0.41200000 Y=0.27320000 Z=0.15970000 MULT= 4 ISPLIT= 8 -5: X=0.08800000 Y=0.72680000 Z=0.65970000 -5: X=0.91200000 Y=0.22680000 Z=0.84030000 -5: X=0.58800000 Y=0.77320000 Z=0.34030000 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 -6: X=0.01300000 Y=0.15300000 Z=0.09600000 MULT= 4 ISPLIT= 8 -6: X=0.48700000 Y=0.84700000 Z=0.59600000 -6: X=0.51300000 Y=0.34700000 Z=0.90400000 -6: X=0.98700000 Y=0.65300000 Z=0.40400000 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 -7: X=0.05490000 Y=0.27640000 Z=0.35290000 MULT= 4 ISPLIT= 8 -7: X=0.44510000 Y=0.72360000 Z=0.85290000 -7: X=0.55490000 Y=0.22360000 Z=0.64710000 -7: X=0.94510000 Y=0.77640000 Z=0.14710000 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 -8: X=0.24370000 Y=0.06970000 Z=0.74570000 MULT= 4 ISPLIT= 8 -8: X=0.25630000 Y=0.93030000 Z=0.24570000 -8: X=0.74370000 Y=0.43030000 Z=0.25430000 -8: X=0.75630000 Y=0.56970000 Z=0.75430000 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 -9: X=0.13140000 Y=0.00920000 Z=0.50190000 MULT= 4 ISPLIT= 8 -9: X=0.36860000 Y=0.99080000 Z=0.00190000 -9: X=0.63140000 Y=0.49080000 Z=0.49810000 -9: X=0.86860000 Y=0.50920000 Z=0.99810000 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 -10: X=0.44900000 Y=0.20210000 Z=0.39040000 MULT= 4 ISPLIT= 8 -10: X=0.05100000 Y=0.79790000 Z=0.89040000 -10: X=0.94900000 Y=0.29790000 Z=0.60960000 -10: X=0.55100000 Y=0.70210000 Z=0.10960000 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