B LATTICE,NONEQUIV.ATOMS 14 82 I-4
MODE OF CALC=RELA unit=bohr
15.360261 15.360261 44.333542 90.000000 90.000000 90.000000
ATOM -1: X=0.00000000 Y=0.50000000 Z=0.11640000
MULT= 2 ISPLIT= 8
-1: X=0.50000000 Y=0.00000000 Z=0.88360000
Ag NPT= 781 R0=.000010000 RMT= 2.44 Z: 47.00000
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=0.00000000 Z=0.37003000
MULT= 2 ISPLIT= 8
-2: X=0.00000000 Y=0.00000000 Z=0.62997000
Ag NPT= 781 R0=.000010000 RMT= 2.44 Z: 47.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -3: X=0.22169000 Y=0.25066000 Z=0.28034000
MULT= 4 ISPLIT= 8
-3: X=0.25066000 Y=0.77831000 Z=0.71966000
-3: X=0.77831000 Y=0.74934000 Z=0.28034000
-3: X=0.74934000 Y=0.22169000 Z=0.71966000
I NPT= 781 R0=.000010000 RMT= 1.81 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=0.00000000 Y=0.00000000 Z=0.15605000
MULT= 2 ISPLIT= 8
-4: X=0.00000000 Y=0.00000000 Z=0.84395000
I NPT= 781 R0=.000010000 RMT= 1.81 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=0.22923000 Y=0.25209000 Z=0.02834000
MULT= 4 ISPLIT= 8
-5: X=0.25209000 Y=0.77077000 Z=0.97166000
-5: X=0.77077000 Y=0.74791000 Z=0.02834000
-5: X=0.74791000 Y=0.22923000 Z=0.97166000
I NPT= 781 R0=.000010000 RMT= 1.81 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 -6: X=0.00000000 Y=0.50000000 Z=0.59604000
MULT= 2 ISPLIT= 8
-6: X=0.50000000 Y=0.00000000 Z=0.40396000
I NPT= 781 R0=.000010000 RMT= 1.81 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 -7: X=0.26030000 Y=0.07390000 Z=0.32391000
MULT= 4 ISPLIT= 8
-7: X=0.07390000 Y=0.73970000 Z=0.67609000
-7: X=0.73970000 Y=0.92610000 Z=0.32391000
-7: X=0.92610000 Y=0.26030000 Z=0.67609000
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=0.00490000 Y=0.26990000 Z=0.29235000
MULT= 4 ISPLIT= 8
-8: X=0.26990000 Y=0.99510000 Z=0.70765000
-8: X=0.99510000 Y=0.73010000 Z=0.29235000
-8: X=0.73010000 Y=0.00490000 Z=0.70765000
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 -9: X=0.26150000 Y=0.41500000 Z=0.33780000
MULT= 4 ISPLIT= 8
-9: X=0.41500000 Y=0.73850000 Z=0.66220000
-9: X=0.73850000 Y=0.58500000 Z=0.33780000
-9: X=0.58500000 Y=0.26150000 Z=0.66220000
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 -10: X=0.16540000 Y=0.04780000 Z=0.20472000
MULT= 4 ISPLIT= 8
-10: X=0.04780000 Y=0.83460000 Z=0.79528000
-10: X=0.83460000 Y=0.95220000 Z=0.20472000
-10: X=0.95220000 Y=0.16540000 Z=0.79528000
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 -11: X=0.26800000 Y=0.43290000 Z=0.06994000
MULT= 4 ISPLIT= 8
-11: X=0.43290000 Y=0.73200000 Z=0.93006000
-11: X=0.73200000 Y=0.56710000 Z=0.06994000
-11: X=0.56710000 Y=0.26800000 Z=0.93006000
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 -12: X=0.01160000 Y=0.23640000 Z=0.03976000
MULT= 4 ISPLIT= 8
-12: X=0.23640000 Y=0.98840000 Z=0.96024000
-12: X=0.98840000 Y=0.76360000 Z=0.03976000
-12: X=0.76360000 Y=0.01160000 Z=0.96024000
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 -13: X=0.26700000 Y=0.09340000 Z=0.08807000
MULT= 4 ISPLIT= 8
-13: X=0.09340000 Y=0.73300000 Z=0.91193000
-13: X=0.73300000 Y=0.90660000 Z=0.08807000
-13: X=0.90660000 Y=0.26700000 Z=0.91193000
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 -14: X=0.33380000 Y=0.05500000 Z=0.45138000
MULT= 4 ISPLIT= 8
-14: X=0.05500000 Y=0.66620000 Z=0.54862000
-14: X=0.66620000 Y=0.94500000 Z=0.45138000
-14: X=0.94500000 Y=0.33380000 Z=0.54862000
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