H LATTICE,NONEQUIV.ATOMS 8 188 P-6c2
MODE OF CALC=RELA unit=bohr
11.753530 11.753530 37.850837 90.000000 90.000000120.000000
ATOM -1: X=0.33333333 Y=0.66666667 Z=0.00000000
MULT= 2 ISPLIT= 4
-1: X=0.33333334 Y=0.66666667 Z=0.50000000
Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000
LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000
-1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000
MULT= 2 ISPLIT= 4
-2: X=0.00000000 Y=0.00000000 Z=0.50000000
Ta NPT= 781 R0=.000005000 RMT= 1.92 Z: 73.00000
LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000
-1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -3: X=0.02587000 Y=0.33213000 Z=0.15614000
MULT=12 ISPLIT= 8
-3: X=0.30626000 Y=0.97413000 Z=0.34386000
-3: X=0.66787000 Y=0.97413000 Z=0.84386000
-3: X=0.66787000 Y=0.69374000 Z=0.15614000
-3: X=0.30626000 Y=0.33213000 Z=0.65614000
-3: X=0.02587000 Y=0.33213000 Z=0.34386000
-3: X=0.02587000 Y=0.69374000 Z=0.84386000
-3: X=0.30626000 Y=0.97413000 Z=0.15614000
-3: X=0.66787000 Y=0.97413000 Z=0.65614000
-3: X=0.66787000 Y=0.69374000 Z=0.34386000
-3: X=0.30626000 Y=0.33213000 Z=0.84386000
-3: X=0.02587000 Y=0.69374000 Z=0.65614000
Ta NPT= 781 R0=.000005000 RMT= 1.92 Z: 73.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -4: X=0.41867000 Y=0.33293000 Z=0.15351000
MULT=12 ISPLIT= 8
-4: X=0.91426000 Y=0.58133000 Z=0.34649000
-4: X=0.66707000 Y=0.58133000 Z=0.84649000
-4: X=0.66707000 Y=0.08574000 Z=0.15351000
-4: X=0.91426000 Y=0.33293000 Z=0.65351000
-4: X=0.41867000 Y=0.33293000 Z=0.34649000
-4: X=0.41867000 Y=0.08574000 Z=0.84649000
-4: X=0.91426000 Y=0.58133000 Z=0.15351000
-4: X=0.66707000 Y=0.58133000 Z=0.65351000
-4: X=0.66707000 Y=0.08574000 Z=0.34649000
-4: X=0.91426000 Y=0.33293000 Z=0.84649000
-4: X=0.41867000 Y=0.08574000 Z=0.65351000
O NPT= 781 R0=.000100000 RMT= 1.66 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 -5: X=0.00000000 Y=0.00000000 Z=0.16716000
MULT= 4 ISPLIT= 4
-5: X=0.00000000 Y=0.00000000 Z=0.33284000
-5: X=0.00000000 Y=0.00000000 Z=0.83284000
-5: X=0.00000000 Y=0.00000000 Z=0.66716000
O NPT= 781 R0=.000100000 RMT= 1.66 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=0.33333333 Y=0.66666667 Z=0.13410000
MULT= 4 ISPLIT= 4
-6: X=0.33333334 Y=0.66666667 Z=0.36590000
-6: X=0.33333333 Y=0.66666667 Z=0.86590000
-6: X=0.33333334 Y=0.66666667 Z=0.63410000
O NPT= 781 R0=.000100000 RMT= 1.66 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=0.08217000 Y=0.37443000 Z=0.25000000
MULT= 6 ISPLIT= 8
-7: X=0.29226000 Y=0.91783000 Z=0.25000000
-7: X=0.62557000 Y=0.91783000 Z=0.75000000
-7: X=0.62557000 Y=0.70774000 Z=0.25000000
-7: X=0.29226000 Y=0.37443000 Z=0.75000000
-7: X=0.08217000 Y=0.70774000 Z=0.75000000
O NPT= 781 R0=.000100000 RMT= 1.66 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=0.04557000 Y=0.28483000 Z=0.05680000
MULT=12 ISPLIT= 8
-8: X=0.23926000 Y=0.95443000 Z=0.44320000
-8: X=0.71517000 Y=0.95443000 Z=0.94320000
-8: X=0.71517000 Y=0.76074000 Z=0.05680000
-8: X=0.23926000 Y=0.28483000 Z=0.55680000
-8: X=0.04557000 Y=0.28483000 Z=0.44320000
-8: X=0.04557000 Y=0.76074000 Z=0.94320000
-8: X=0.23926000 Y=0.95443000 Z=0.05680000
-8: X=0.71517000 Y=0.95443000 Z=0.55680000
-8: X=0.71517000 Y=0.76074000 Z=0.44320000
-8: X=0.23926000 Y=0.28483000 Z=0.94320000
-8: X=0.04557000 Y=0.76074000 Z=0.55680000
O NPT= 781 R0=.000100000 RMT= 1.66 Z: 8.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000