P LATTICE,NONEQUIV.ATOMS 8 117 P-4b2
MODE OF CALC=RELA unit=bohr
21.427794 21.427794 8.762849 90.000000 90.000000 90.000000
ATOM -1: X=0.06643000 Y=0.18776000 Z=0.51037000
MULT= 8 ISPLIT= 8
-1: X=0.18776000 Y=0.93357000 Z=0.48963000
-1: X=0.43357000 Y=0.68776000 Z=0.51037000
-1: X=0.93357000 Y=0.81224000 Z=0.51037000
-1: X=0.68776000 Y=0.56643000 Z=0.48963000
-1: X=0.81224000 Y=0.06643000 Z=0.48963000
-1: X=0.56643000 Y=0.31224000 Z=0.51037000
-1: X=0.31224000 Y=0.43357000 Z=0.48963000
Ge NPT= 781 R0=.000050000 RMT= 1.72 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=0.63344000 Y=0.13344000 Z=0.00000000
MULT= 4 ISPLIT= 8
-2: X=0.13344000 Y=0.36656000 Z=0.00000000
-2: X=0.86656000 Y=0.63344000 Z=0.00000000
-2: X=0.36656000 Y=0.86656000 Z=0.00000000
Ge NPT= 781 R0=.000050000 RMT= 1.72 Z: 32.00000
LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068
0.0000000-0.7071068 0.7071068
1.0000000 0.0000000 0.0000000
ATOM -3: X=0.00000000 Y=0.50000000 Z=0.50000000
MULT= 2 ISPLIT= 8
-3: X=0.50000000 Y=0.00000000 Z=0.50000000
Ge NPT= 781 R0=.000050000 RMT= 1.72 Z: 32.00000
LOCAL ROT MATRIX: 0.7071068 0.7071068 0.0000000
-0.7071068 0.7071068 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -4: X=0.16515000 Y=0.66515000 Z=0.00000000
MULT= 4 ISPLIT= 8
-4: X=0.66515000 Y=0.83485000 Z=0.00000000
-4: X=0.33485000 Y=0.16515000 Z=0.00000000
-4: X=0.83485000 Y=0.33485000 Z=0.00000000
Ca NPT= 781 R0=.000050000 RMT= 2.15 Z: 20.00000
LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068
0.0000000-0.7071068 0.7071068
1.0000000 0.0000000 0.0000000
ATOM -5: X=0.14060000 Y=0.06800000 Z=0.33970000
MULT= 8 ISPLIT= 8
-5: X=0.06800000 Y=0.85940000 Z=0.66030000
-5: X=0.35940000 Y=0.56800000 Z=0.33970000
-5: X=0.85940000 Y=0.93200000 Z=0.33970000
-5: X=0.56800000 Y=0.64060000 Z=0.66030000
-5: X=0.93200000 Y=0.14060000 Z=0.66030000
-5: X=0.64060000 Y=0.43200000 Z=0.33970000
-5: X=0.43200000 Y=0.35940000 Z=0.66030000
O NPT= 781 R0=.000100000 RMT= 1.56 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=0.26530000 Y=0.33020000 Z=0.23110000
MULT= 8 ISPLIT= 8
-6: X=0.33020000 Y=0.73470000 Z=0.76890000
-6: X=0.23470000 Y=0.83020000 Z=0.23110000
-6: X=0.73470000 Y=0.66980000 Z=0.23110000
-6: X=0.83020000 Y=0.76530000 Z=0.76890000
-6: X=0.66980000 Y=0.26530000 Z=0.76890000
-6: X=0.76530000 Y=0.16980000 Z=0.23110000
-6: X=0.16980000 Y=0.23470000 Z=0.76890000
O NPT= 781 R0=.000100000 RMT= 1.56 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=0.02780000 Y=0.28080000 Z=0.22520000
MULT= 8 ISPLIT= 8
-7: X=0.28080000 Y=0.97220000 Z=0.77480000
-7: X=0.47220000 Y=0.78080000 Z=0.22520000
-7: X=0.97220000 Y=0.71920000 Z=0.22520000
-7: X=0.78080000 Y=0.52780000 Z=0.77480000
-7: X=0.71920000 Y=0.02780000 Z=0.77480000
-7: X=0.52780000 Y=0.21920000 Z=0.22520000
-7: X=0.21920000 Y=0.47220000 Z=0.77480000
O NPT= 781 R0=.000100000 RMT= 1.56 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=0.11600000 Y=0.49890000 Z=0.25240000
MULT= 8 ISPLIT= 8
-8: X=0.49890000 Y=0.88400000 Z=0.74760000
-8: X=0.38400000 Y=0.99890000 Z=0.25240000
-8: X=0.88400000 Y=0.50110000 Z=0.25240000
-8: X=0.99890000 Y=0.61600000 Z=0.74760000
-8: X=0.50110000 Y=0.11600000 Z=0.74760000
-8: X=0.61600000 Y=0.00110000 Z=0.25240000
-8: X=0.00110000 Y=0.38400000 Z=0.74760000
O NPT= 781 R0=.000100000 RMT= 1.56 Z: 8.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000