P LATTICE,NONEQUIV.ATOMS 7 128 P4/mnc
MODE OF CALC=RELA unit=bohr
20.169047 20.169047 25.099720 90.000000 90.000000 90.000000
ATOM -1: X=0.24392000 Y=0.11897000 Z=0.00000000
MULT= 8 ISPLIT=15
-1: X=0.75608000 Y=0.88103000 Z=0.00000000
-1: X=0.88103000 Y=0.24392000 Z=0.00000000
-1: X=0.11897000 Y=0.75608000 Z=0.00000000
-1: X=0.25608000 Y=0.61897000 Z=0.50000000
-1: X=0.74392000 Y=0.38103000 Z=0.50000000
-1: X=0.38103000 Y=0.25608000 Z=0.50000000
-1: X=0.61897000 Y=0.74392000 Z=0.50000000
U NPT= 781 R0=.000005000 RMT= 2.00000 Z: 92.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -2: X=0.00000000 Y=0.50000000 Z=0.25000000
MULT= 4 ISPLIT=15
-2: X=0.00000000 Y=0.50000000 Z=0.75000000
-2: X=0.50000000 Y=0.00000000 Z=0.25000000
-2: X=0.50000000 Y=0.00000000 Z=0.75000000
U NPT= 781 R0=.000005000 RMT= 2.00000 Z: 92.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -3: X=0.14289000 Y=0.42781000 Z=0.00000000
MULT= 8 ISPLIT=15
-3: X=0.85711000 Y=0.57219000 Z=0.00000000
-3: X=0.57219000 Y=0.14289000 Z=0.00000000
-3: X=0.42781000 Y=0.85711000 Z=0.00000000
-3: X=0.35711000 Y=0.92781000 Z=0.50000000
-3: X=0.64289000 Y=0.07219000 Z=0.50000000
-3: X=0.07219000 Y=0.35711000 Z=0.50000000
-3: X=0.92781000 Y=0.64289000 Z=0.50000000
Pd NPT= 781 R0=.000010000 RMT= 2.00000 Z: 46.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -4: X=0.00000000 Y=0.00000000 Z=0.27677000
MULT= 4 ISPLIT=15
-4: X=0.00000000 Y=0.00000000 Z=0.72323000
-4: X=0.50000000 Y=0.50000000 Z=0.77677000
-4: X=0.50000000 Y=0.50000000 Z=0.22323000
Rb NPT= 781 R0=.000010000 RMT= 2.00000 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 -5: X=0.09102000 Y=0.27614000 Z=0.13523000
MULT=16 ISPLIT=15
-5: X=0.90898000 Y=0.72386000 Z=0.86477000
-5: X=0.72386000 Y=0.09102000 Z=0.13523000
-5: X=0.27614000 Y=0.90898000 Z=0.86477000
-5: X=0.40898000 Y=0.77614000 Z=0.63523000
-5: X=0.59102000 Y=0.22386000 Z=0.36477000
-5: X=0.90898000 Y=0.72386000 Z=0.13523000
-5: X=0.09102000 Y=0.27614000 Z=0.86477000
-5: X=0.22386000 Y=0.40898000 Z=0.63523000
-5: X=0.77614000 Y=0.59102000 Z=0.36477000
-5: X=0.27614000 Y=0.90898000 Z=0.13523000
-5: X=0.72386000 Y=0.09102000 Z=0.86477000
-5: X=0.59102000 Y=0.22386000 Z=0.63523000
-5: X=0.40898000 Y=0.77614000 Z=0.36477000
-5: X=0.77614000 Y=0.59102000 Z=0.63523000
-5: X=0.22386000 Y=0.40898000 Z=0.36477000
Se NPT= 781 R0=.000050000 RMT= 2.00000 Z: 34.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -6: X=0.28525000 Y=0.07397000 Z=0.36910000
MULT=16 ISPLIT=15
-6: X=0.71475000 Y=0.92603000 Z=0.63090000
-6: X=0.92603000 Y=0.28525000 Z=0.36910000
-6: X=0.07397000 Y=0.71475000 Z=0.63090000
-6: X=0.21475000 Y=0.57397000 Z=0.86910000
-6: X=0.78525000 Y=0.42603000 Z=0.13090000
-6: X=0.71475000 Y=0.92603000 Z=0.36910000
-6: X=0.28525000 Y=0.07397000 Z=0.63090000
-6: X=0.42603000 Y=0.21475000 Z=0.86910000
-6: X=0.57397000 Y=0.78525000 Z=0.13090000
-6: X=0.07397000 Y=0.71475000 Z=0.36910000
-6: X=0.92603000 Y=0.28525000 Z=0.63090000
-6: X=0.78525000 Y=0.42603000 Z=0.86910000
-6: X=0.21475000 Y=0.57397000 Z=0.13090000
-6: X=0.57397000 Y=0.78525000 Z=0.86910000
-6: X=0.42603000 Y=0.21475000 Z=0.13090000
Se NPT= 781 R0=.000050000 RMT= 2.00000 Z: 34.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -7: X=0.00000000 Y=0.00000000 Z=0.00000000
MULT= 2 ISPLIT=15
-7: X=0.50000000 Y=0.50000000 Z=0.50000000
Se NPT= 781 R0=.000050000 RMT= 2.00000 Z: 34.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000