P LATTICE,NONEQUIV.ATOMS 9 92 P41212
MODE OF CALC=RELA unit=bohr
13.555006 13.555006 49.690349 90.000000 90.000000 90.000000
ATOM -1: X=0.15191000 Y=0.12289000 Z=0.43089000
MULT= 8 ISPLIT= 8
-1: X=0.37711000 Y=0.65191000 Z=0.68089000
-1: X=0.65191000 Y=0.37711000 Z=0.31911000
-1: X=0.84809000 Y=0.87711000 Z=0.93089000
-1: X=0.12289000 Y=0.15191000 Z=0.56911000
-1: X=0.62289000 Y=0.34809000 Z=0.18089000
-1: X=0.34809000 Y=0.62289000 Z=0.81911000
-1: X=0.87711000 Y=0.84809000 Z=0.06911000
Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -2: X=0.12776000 Y=0.34635000 Z=0.18516000
MULT= 8 ISPLIT= 8
-2: X=0.15365000 Y=0.62776000 Z=0.43516000
-2: X=0.62776000 Y=0.15365000 Z=0.56484000
-2: X=0.87224000 Y=0.65365000 Z=0.68516000
-2: X=0.34635000 Y=0.12776000 Z=0.81484000
-2: X=0.84635000 Y=0.37224000 Z=0.93516000
-2: X=0.37224000 Y=0.84635000 Z=0.06484000
-2: X=0.65365000 Y=0.87224000 Z=0.31484000
Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -3: X=0.38660000 Y=0.13250000 Z=0.25774000
MULT= 8 ISPLIT= 8
-3: X=0.36750000 Y=0.88660000 Z=0.50774000
-3: X=0.88660000 Y=0.36750000 Z=0.49226000
-3: X=0.61340000 Y=0.86750000 Z=0.75774000
-3: X=0.13250000 Y=0.38660000 Z=0.74226000
-3: X=0.63250000 Y=0.11340000 Z=0.00774000
-3: X=0.11340000 Y=0.63250000 Z=0.99226000
-3: X=0.86750000 Y=0.61340000 Z=0.24226000
P NPT= 781 R0=.000100000 RMT= 2.14 Z: 15.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -4: X=0.63530000 Y=0.63530000 Z=0.00000000
MULT= 4 ISPLIT= 8
-4: X=0.86470000 Y=0.13530000 Z=0.25000000
-4: X=0.13530000 Y=0.86470000 Z=0.75000000
-4: X=0.36470000 Y=0.36470000 Z=0.50000000
P NPT= 781 R0=.000100000 RMT= 2.14 Z: 15.00000
LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068
0.0000000-0.7071068 0.7071068
1.0000000 0.0000000 0.0000000
ATOM -5: X=0.07523000 Y=0.38160000 Z=0.34714000
MULT= 8 ISPLIT= 8
-5: X=0.11840000 Y=0.57523000 Z=0.59714000
-5: X=0.57523000 Y=0.11840000 Z=0.40286000
-5: X=0.92477000 Y=0.61840000 Z=0.84714000
-5: X=0.38160000 Y=0.07523000 Z=0.65286000
-5: X=0.88160000 Y=0.42477000 Z=0.09714000
-5: X=0.42477000 Y=0.88160000 Z=0.90286000
-5: X=0.61840000 Y=0.92477000 Z=0.15286000
P NPT= 781 R0=.000100000 RMT= 2.14 Z: 15.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -6: X=0.11610000 Y=0.11610000 Z=0.00000000
MULT= 4 ISPLIT= 8
-6: X=0.38390000 Y=0.61610000 Z=0.25000000
-6: X=0.61610000 Y=0.38390000 Z=0.75000000
-6: X=0.88390000 Y=0.88390000 Z=0.50000000
P NPT= 781 R0=.000100000 RMT= 2.14 Z: 15.00000
LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068
0.0000000-0.7071068 0.7071068
1.0000000 0.0000000 0.0000000
ATOM -7: X=0.36900000 Y=0.43091000 Z=0.09803000
MULT= 8 ISPLIT= 8
-7: X=0.06909000 Y=0.86900000 Z=0.34803000
-7: X=0.86900000 Y=0.06909000 Z=0.65197000
-7: X=0.63100000 Y=0.56909000 Z=0.59803000
-7: X=0.43091000 Y=0.36900000 Z=0.90197000
-7: X=0.93091000 Y=0.13100000 Z=0.84803000
-7: X=0.13100000 Y=0.93091000 Z=0.15197000
-7: X=0.56909000 Y=0.63100000 Z=0.40197000
P NPT= 781 R0=.000100000 RMT= 2.14 Z: 15.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -8: X=0.12646000 Y=0.38430000 Z=0.04437000
MULT= 8 ISPLIT= 8
-8: X=0.11570000 Y=0.62646000 Z=0.29437000
-8: X=0.62646000 Y=0.11570000 Z=0.70563000
-8: X=0.87354000 Y=0.61570000 Z=0.54437000
-8: X=0.38430000 Y=0.12646000 Z=0.95563000
-8: X=0.88430000 Y=0.37354000 Z=0.79437000
-8: X=0.37354000 Y=0.88430000 Z=0.20563000
-8: X=0.61570000 Y=0.87354000 Z=0.45563000
Si NPT= 781 R0=.000100000 RMT= 2.04 Z: 14.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -9: X=0.11640000 Y=0.12367000 Z=0.29955000
MULT= 8 ISPLIT= 8
-9: X=0.37633000 Y=0.61640000 Z=0.54955000
-9: X=0.61640000 Y=0.37633000 Z=0.45045000
-9: X=0.88360000 Y=0.87633000 Z=0.79955000
-9: X=0.12367000 Y=0.11640000 Z=0.70045000
-9: X=0.62367000 Y=0.38360000 Z=0.04955000
-9: X=0.38360000 Y=0.62367000 Z=0.95045000
-9: X=0.87633000 Y=0.88360000 Z=0.20045000
Si NPT= 781 R0=.000100000 RMT= 2.04 Z: 14.00000
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000