P LATTICE,NONEQUIV.ATOMS 5 19 P212121 MODE OF CALC=RELA unit=bohr 8.590695 19.169571 31.830169 90.000000 90.000000 90.000000 ATOM -1: X=0.03310000 Y=0.09120000 Z=0.06310000 MULT= 4 ISPLIT= 8 -1: X=0.46690000 Y=0.90880000 Z=0.56310000 -1: X=0.53310000 Y=0.40880000 Z=0.93690000 -1: X=0.96690000 Y=0.59120000 Z=0.43690000 Ge NPT= 781 R0=.000050000 RMT= 2.50000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.50510000 Y=0.16930000 Z=0.33030000 MULT= 4 ISPLIT= 8 -2: X=0.99490000 Y=0.83070000 Z=0.83030000 -2: X=0.00510000 Y=0.33070000 Z=0.66970000 -2: X=0.49490000 Y=0.66930000 Z=0.16970000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.49280000 Y=0.04170000 Z=0.70950000 MULT= 4 ISPLIT= 8 -3: X=0.00720000 Y=0.95830000 Z=0.20950000 -3: X=0.99280000 Y=0.45830000 Z=0.29050000 -3: X=0.50720000 Y=0.54170000 Z=0.79050000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.01590000 Y=0.08190000 Z=0.49900000 MULT= 4 ISPLIT= 8 -4: X=0.48410000 Y=0.91810000 Z=0.99900000 -4: X=0.51590000 Y=0.41810000 Z=0.50100000 -4: X=0.98410000 Y=0.58190000 Z=0.00100000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.48860000 Y=0.27420000 Z=0.11370000 MULT= 4 ISPLIT= 8 -5: X=0.01140000 Y=0.72580000 Z=0.61370000 -5: X=0.98860000 Y=0.22580000 Z=0.88630000 -5: X=0.51140000 Y=0.77420000 Z=0.38630000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000