P LATTICE,NONEQUIV.ATOMS 26 198 P213 MODE OF CALC=RELA unit=bohr 31.177458 31.177458 31.177458 90.000000 90.000000 90.000000 ATOM -1: X=0.00460000 Y=0.00460000 Z=0.00460000 MULT= 4 ISPLIT= 4 -1: X=0.49540000 Y=0.99540000 Z=0.50460000 -1: X=0.50460000 Y=0.49540000 Z=0.99540000 -1: X=0.99540000 Y=0.50460000 Z=0.49540000 Ba NPT= 781 R0=.000010000 RMT= 2.36 Z: 56.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -2: X=0.25280000 Y=0.25280000 Z=0.25280000 MULT= 4 ISPLIT= 4 -2: X=0.24720000 Y=0.74720000 Z=0.75280000 -2: X=0.75280000 Y=0.24720000 Z=0.74720000 -2: X=0.74720000 Y=0.75280000 Z=0.24720000 Ba NPT= 781 R0=.000010000 RMT= 2.36 Z: 56.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -3: X=0.87450000 Y=0.87450000 Z=0.87450000 MULT= 4 ISPLIT= 4 -3: X=0.62550000 Y=0.12550000 Z=0.37450000 -3: X=0.37450000 Y=0.62550000 Z=0.12550000 -3: X=0.12550000 Y=0.37450000 Z=0.62550000 Ba NPT= 781 R0=.000010000 RMT= 2.36 Z: 56.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -4: X=0.12810000 Y=0.12810000 Z=0.12810000 MULT= 4 ISPLIT= 4 -4: X=0.37190000 Y=0.87190000 Z=0.62810000 -4: X=0.62810000 Y=0.37190000 Z=0.87190000 -4: X=0.87190000 Y=0.62810000 Z=0.37190000 Ba NPT= 781 R0=.000010000 RMT= 2.36 Z: 56.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -5: X=0.62330000 Y=0.62330000 Z=0.62330000 MULT= 4 ISPLIT= 4 -5: X=0.87670000 Y=0.37670000 Z=0.12330000 -5: X=0.12330000 Y=0.87670000 Z=0.37670000 -5: X=0.37670000 Y=0.12330000 Z=0.87670000 Ba NPT= 781 R0=.000010000 RMT= 2.36 Z: 56.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -6: X=0.39120000 Y=0.39120000 Z=0.39120000 MULT= 4 ISPLIT= 4 -6: X=0.10880000 Y=0.60880000 Z=0.89120000 -6: X=0.89120000 Y=0.10880000 Z=0.60880000 -6: X=0.60880000 Y=0.89120000 Z=0.10880000 Ba NPT= 781 R0=.000010000 RMT= 2.36 Z: 56.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -7: X=0.13550000 Y=0.14680000 Z=0.63420000 MULT=12 ISPLIT= 8 -7: X=0.36450000 Y=0.85320000 Z=0.13420000 -7: X=0.63550000 Y=0.35320000 Z=0.36580000 -7: X=0.63420000 Y=0.13550000 Z=0.14680000 -7: X=0.86450000 Y=0.64680000 Z=0.86580000 -7: X=0.86580000 Y=0.86450000 Z=0.64680000 -7: X=0.13420000 Y=0.36450000 Z=0.85320000 -7: X=0.36580000 Y=0.63550000 Z=0.35320000 -7: X=0.14680000 Y=0.63420000 Z=0.13550000 -7: X=0.35320000 Y=0.36580000 Z=0.63550000 -7: X=0.64680000 Y=0.86580000 Z=0.86450000 -7: X=0.85320000 Y=0.13420000 Z=0.36450000 Ba NPT= 781 R0=.000010000 RMT= 2.36 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.10540000 Y=0.39470000 Z=0.11340000 MULT=12 ISPLIT= 8 -8: X=0.39460000 Y=0.60530000 Z=0.61340000 -8: X=0.60540000 Y=0.10530000 Z=0.88660000 -8: X=0.11340000 Y=0.10540000 Z=0.39470000 -8: X=0.89460000 Y=0.89470000 Z=0.38660000 -8: X=0.38660000 Y=0.89460000 Z=0.89470000 -8: X=0.61340000 Y=0.39460000 Z=0.60530000 -8: X=0.88660000 Y=0.60540000 Z=0.10530000 -8: X=0.39470000 Y=0.11340000 Z=0.10540000 -8: X=0.10530000 Y=0.88660000 Z=0.60540000 -8: X=0.89470000 Y=0.38660000 Z=0.89460000 -8: X=0.60530000 Y=0.61340000 Z=0.39460000 Ba NPT= 781 R0=.000010000 RMT= 2.36 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.13510000 Y=0.65030000 Z=0.36600000 MULT=12 ISPLIT= 8 -9: X=0.36490000 Y=0.34970000 Z=0.86600000 -9: X=0.63510000 Y=0.84970000 Z=0.63400000 -9: X=0.36600000 Y=0.13510000 Z=0.65030000 -9: X=0.86490000 Y=0.15030000 Z=0.13400000 -9: X=0.13400000 Y=0.86490000 Z=0.15030000 -9: X=0.86600000 Y=0.36490000 Z=0.34970000 -9: X=0.63400000 Y=0.63510000 Z=0.84970000 -9: X=0.65030000 Y=0.36600000 Z=0.13510000 -9: X=0.84970000 Y=0.63400000 Z=0.63510000 -9: X=0.15030000 Y=0.13400000 Z=0.86490000 -9: X=0.34970000 Y=0.86600000 Z=0.36490000 Ba NPT= 781 R0=.000010000 RMT= 2.36 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.11760000 Y=0.37240000 Z=0.38010000 MULT=12 ISPLIT= 8 -10: X=0.38240000 Y=0.62760000 Z=0.88010000 -10: X=0.61760000 Y=0.12760000 Z=0.61990000 -10: X=0.38010000 Y=0.11760000 Z=0.37240000 -10: X=0.88240000 Y=0.87240000 Z=0.11990000 -10: X=0.11990000 Y=0.88240000 Z=0.87240000 -10: X=0.88010000 Y=0.38240000 Z=0.62760000 -10: X=0.61990000 Y=0.61760000 Z=0.12760000 -10: X=0.37240000 Y=0.38010000 Z=0.11760000 -10: X=0.12760000 Y=0.61990000 Z=0.61760000 -10: X=0.87240000 Y=0.11990000 Z=0.88240000 -10: X=0.62760000 Y=0.88010000 Z=0.38240000 Ba NPT= 781 R0=.000010000 RMT= 2.36 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.23000000 Y=0.49790000 Z=0.27140000 MULT=12 ISPLIT= 8 -11: X=0.27000000 Y=0.50210000 Z=0.77140000 -11: X=0.73000000 Y=0.00210000 Z=0.72860000 -11: X=0.27140000 Y=0.23000000 Z=0.49790000 -11: X=0.77000000 Y=0.99790000 Z=0.22860000 -11: X=0.22860000 Y=0.77000000 Z=0.99790000 -11: X=0.77140000 Y=0.27000000 Z=0.50210000 -11: X=0.72860000 Y=0.73000000 Z=0.00210000 -11: X=0.49790000 Y=0.27140000 Z=0.23000000 -11: X=0.00210000 Y=0.72860000 Z=0.73000000 -11: X=0.99790000 Y=0.22860000 Z=0.77000000 -11: X=0.50210000 Y=0.77140000 Z=0.27000000 Al NPT= 781 R0=.000100000 RMT= 1.62 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.00460000 Y=0.23120000 Z=0.26580000 MULT=12 ISPLIT= 8 -12: X=0.49540000 Y=0.76880000 Z=0.76580000 -12: X=0.50460000 Y=0.26880000 Z=0.73420000 -12: X=0.26580000 Y=0.00460000 Z=0.23120000 -12: X=0.99540000 Y=0.73120000 Z=0.23420000 -12: X=0.23420000 Y=0.99540000 Z=0.73120000 -12: X=0.76580000 Y=0.49540000 Z=0.76880000 -12: X=0.73420000 Y=0.50460000 Z=0.26880000 -12: X=0.23120000 Y=0.26580000 Z=0.00460000 -12: X=0.26880000 Y=0.73420000 Z=0.50460000 -12: X=0.73120000 Y=0.23420000 Z=0.99540000 -12: X=0.76880000 Y=0.76580000 Z=0.49540000 Al NPT= 781 R0=.000100000 RMT= 1.62 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -13: X=0.01620000 Y=0.51880000 Z=0.25560000 MULT=12 ISPLIT= 8 -13: X=0.48380000 Y=0.48120000 Z=0.75560000 -13: X=0.51620000 Y=0.98120000 Z=0.74440000 -13: X=0.25560000 Y=0.01620000 Z=0.51880000 -13: X=0.98380000 Y=0.01880000 Z=0.24440000 -13: X=0.24440000 Y=0.98380000 Z=0.01880000 -13: X=0.75560000 Y=0.48380000 Z=0.48120000 -13: X=0.74440000 Y=0.51620000 Z=0.98120000 -13: X=0.51880000 Y=0.25560000 Z=0.01620000 -13: X=0.98120000 Y=0.74440000 Z=0.51620000 -13: X=0.01880000 Y=0.24440000 Z=0.98380000 -13: X=0.48120000 Y=0.75560000 Z=0.48380000 Al NPT= 781 R0=.000100000 RMT= 1.62 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -14: X=0.25000000 Y=0.51730000 Z=0.48200000 MULT=12 ISPLIT= 8 -14: X=0.25000000 Y=0.48270000 Z=0.98200000 -14: X=0.75000000 Y=0.98270000 Z=0.51800000 -14: X=0.48200000 Y=0.25000000 Z=0.51730000 -14: X=0.75000000 Y=0.01730000 Z=0.01800000 -14: X=0.01800000 Y=0.75000000 Z=0.01730000 -14: X=0.98200000 Y=0.25000000 Z=0.48270000 -14: X=0.51800000 Y=0.75000000 Z=0.98270000 -14: X=0.51730000 Y=0.48200000 Z=0.25000000 -14: X=0.98270000 Y=0.51800000 Z=0.75000000 -14: X=0.01730000 Y=0.01800000 Z=0.75000000 -14: X=0.48270000 Y=0.98200000 Z=0.25000000 Al NPT= 781 R0=.000100000 RMT= 1.62 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -15: X=0.12280000 Y=0.50270000 Z=0.26250000 MULT=12 ISPLIT= 8 -15: X=0.37720000 Y=0.49730000 Z=0.76250000 -15: X=0.62280000 Y=0.99730000 Z=0.73750000 -15: X=0.26250000 Y=0.12280000 Z=0.50270000 -15: X=0.87720000 Y=0.00270000 Z=0.23750000 -15: X=0.23750000 Y=0.87720000 Z=0.00270000 -15: X=0.76250000 Y=0.37720000 Z=0.49730000 -15: X=0.73750000 Y=0.62280000 Z=0.99730000 -15: X=0.50270000 Y=0.26250000 Z=0.12280000 -15: X=0.99730000 Y=0.73750000 Z=0.62280000 -15: X=0.00270000 Y=0.23750000 Z=0.87720000 -15: X=0.49730000 Y=0.76250000 Z=0.37720000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -16: X=0.00030000 Y=0.24100000 Z=0.37540000 MULT=12 ISPLIT= 8 -16: X=0.49970000 Y=0.75900000 Z=0.87540000 -16: X=0.50030000 Y=0.25900000 Z=0.62460000 -16: X=0.37540000 Y=0.00030000 Z=0.24100000 -16: X=0.99970000 Y=0.74100000 Z=0.12460000 -16: X=0.12460000 Y=0.99970000 Z=0.74100000 -16: X=0.87540000 Y=0.49970000 Z=0.75900000 -16: X=0.62460000 Y=0.50030000 Z=0.25900000 -16: X=0.24100000 Y=0.37540000 Z=0.00030000 -16: X=0.25900000 Y=0.62460000 Z=0.50030000 -16: X=0.74100000 Y=0.12460000 Z=0.99970000 -16: X=0.75900000 Y=0.87540000 Z=0.49970000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -17: X=0.01490000 Y=0.83870000 Z=0.48380000 MULT=12 ISPLIT= 8 -17: X=0.48510000 Y=0.16130000 Z=0.98380000 -17: X=0.51490000 Y=0.66130000 Z=0.51620000 -17: X=0.48380000 Y=0.01490000 Z=0.83870000 -17: X=0.98510000 Y=0.33870000 Z=0.01620000 -17: X=0.01620000 Y=0.98510000 Z=0.33870000 -17: X=0.98380000 Y=0.48510000 Z=0.16130000 -17: X=0.51620000 Y=0.51490000 Z=0.66130000 -17: X=0.83870000 Y=0.48380000 Z=0.01490000 -17: X=0.66130000 Y=0.51620000 Z=0.51490000 -17: X=0.33870000 Y=0.01620000 Z=0.98510000 -17: X=0.16130000 Y=0.98380000 Z=0.48510000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -18: X=0.02690000 Y=0.16680000 Z=0.52900000 MULT=12 ISPLIT= 8 -18: X=0.47310000 Y=0.83320000 Z=0.02900000 -18: X=0.52690000 Y=0.33320000 Z=0.47100000 -18: X=0.52900000 Y=0.02690000 Z=0.16680000 -18: X=0.97310000 Y=0.66680000 Z=0.97100000 -18: X=0.97100000 Y=0.97310000 Z=0.66680000 -18: X=0.02900000 Y=0.47310000 Z=0.83320000 -18: X=0.47100000 Y=0.52690000 Z=0.33320000 -18: X=0.16680000 Y=0.52900000 Z=0.02690000 -18: X=0.33320000 Y=0.47100000 Z=0.52690000 -18: X=0.66680000 Y=0.97100000 Z=0.97310000 -18: X=0.83320000 Y=0.02900000 Z=0.47310000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -19: X=0.08990000 Y=0.76520000 Z=0.26540000 MULT=12 ISPLIT= 8 -19: X=0.41010000 Y=0.23480000 Z=0.76540000 -19: X=0.58990000 Y=0.73480000 Z=0.73460000 -19: X=0.26540000 Y=0.08990000 Z=0.76520000 -19: X=0.91010000 Y=0.26520000 Z=0.23460000 -19: X=0.23460000 Y=0.91010000 Z=0.26520000 -19: X=0.76540000 Y=0.41010000 Z=0.23480000 -19: X=0.73460000 Y=0.58990000 Z=0.73480000 -19: X=0.76520000 Y=0.26540000 Z=0.08990000 -19: X=0.73480000 Y=0.73460000 Z=0.58990000 -19: X=0.26520000 Y=0.23460000 Z=0.91010000 -19: X=0.23480000 Y=0.76540000 Z=0.41010000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -20: X=0.22970000 Y=0.26510000 Z=0.40710000 MULT=12 ISPLIT= 8 -20: X=0.27030000 Y=0.73490000 Z=0.90710000 -20: X=0.72970000 Y=0.23490000 Z=0.59290000 -20: X=0.40710000 Y=0.22970000 Z=0.26510000 -20: X=0.77030000 Y=0.76510000 Z=0.09290000 -20: X=0.09290000 Y=0.77030000 Z=0.76510000 -20: X=0.90710000 Y=0.27030000 Z=0.73490000 -20: X=0.59290000 Y=0.72970000 Z=0.23490000 -20: X=0.26510000 Y=0.40710000 Z=0.22970000 -20: X=0.23490000 Y=0.59290000 Z=0.72970000 -20: X=0.76510000 Y=0.09290000 Z=0.77030000 -20: X=0.73490000 Y=0.90710000 Z=0.27030000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -21: X=0.00160000 Y=0.12650000 Z=0.24330000 MULT=12 ISPLIT= 8 -21: X=0.49840000 Y=0.87350000 Z=0.74330000 -21: X=0.50160000 Y=0.37350000 Z=0.75670000 -21: X=0.24330000 Y=0.00160000 Z=0.12650000 -21: X=0.99840000 Y=0.62650000 Z=0.25670000 -21: X=0.25670000 Y=0.99840000 Z=0.62650000 -21: X=0.74330000 Y=0.49840000 Z=0.87350000 -21: X=0.75670000 Y=0.50160000 Z=0.37350000 -21: X=0.12650000 Y=0.24330000 Z=0.00160000 -21: X=0.37350000 Y=0.75670000 Z=0.50160000 -21: X=0.62650000 Y=0.25670000 Z=0.99840000 -21: X=0.87350000 Y=0.74330000 Z=0.49840000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -22: X=0.25450000 Y=0.49970000 Z=0.37710000 MULT=12 ISPLIT= 8 -22: X=0.24550000 Y=0.50030000 Z=0.87710000 -22: X=0.75450000 Y=0.00030000 Z=0.62290000 -22: X=0.37710000 Y=0.25450000 Z=0.49970000 -22: X=0.74550000 Y=0.99970000 Z=0.12290000 -22: X=0.12290000 Y=0.74550000 Z=0.99970000 -22: X=0.87710000 Y=0.24550000 Z=0.50030000 -22: X=0.62290000 Y=0.75450000 Z=0.00030000 -22: X=0.49970000 Y=0.37710000 Z=0.25450000 -22: X=0.00030000 Y=0.62290000 Z=0.75450000 -22: X=0.99970000 Y=0.12290000 Z=0.74550000 -22: X=0.50030000 Y=0.87710000 Z=0.24550000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -23: X=0.23500000 Y=0.26380000 Z=0.59120000 MULT=12 ISPLIT= 8 -23: X=0.26500000 Y=0.73620000 Z=0.09120000 -23: X=0.73500000 Y=0.23620000 Z=0.40880000 -23: X=0.59120000 Y=0.23500000 Z=0.26380000 -23: X=0.76500000 Y=0.76380000 Z=0.90880000 -23: X=0.90880000 Y=0.76500000 Z=0.76380000 -23: X=0.09120000 Y=0.26500000 Z=0.73620000 -23: X=0.40880000 Y=0.73500000 Z=0.23620000 -23: X=0.26380000 Y=0.59120000 Z=0.23500000 -23: X=0.23620000 Y=0.40880000 Z=0.73500000 -23: X=0.76380000 Y=0.90880000 Z=0.76500000 -23: X=0.73620000 Y=0.09120000 Z=0.26500000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -24: X=0.09330000 Y=0.27320000 Z=0.23040000 MULT=12 ISPLIT= 8 -24: X=0.40670000 Y=0.72680000 Z=0.73040000 -24: X=0.59330000 Y=0.22680000 Z=0.76960000 -24: X=0.23040000 Y=0.09330000 Z=0.27320000 -24: X=0.90670000 Y=0.77320000 Z=0.26960000 -24: X=0.26960000 Y=0.90670000 Z=0.77320000 -24: X=0.73040000 Y=0.40670000 Z=0.72680000 -24: X=0.76960000 Y=0.59330000 Z=0.22680000 -24: X=0.27320000 Y=0.23040000 Z=0.09330000 -24: X=0.22680000 Y=0.76960000 Z=0.59330000 -24: X=0.77320000 Y=0.26960000 Z=0.90670000 -24: X=0.72680000 Y=0.73040000 Z=0.40670000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -25: X=0.02140000 Y=0.65570000 Z=0.47290000 MULT=12 ISPLIT= 8 -25: X=0.47860000 Y=0.34430000 Z=0.97290000 -25: X=0.52140000 Y=0.84430000 Z=0.52710000 -25: X=0.47290000 Y=0.02140000 Z=0.65570000 -25: X=0.97860000 Y=0.15570000 Z=0.02710000 -25: X=0.02710000 Y=0.97860000 Z=0.15570000 -25: X=0.97290000 Y=0.47860000 Z=0.34430000 -25: X=0.52710000 Y=0.52140000 Z=0.84430000 -25: X=0.65570000 Y=0.47290000 Z=0.02140000 -25: X=0.84430000 Y=0.52710000 Z=0.52140000 -25: X=0.15570000 Y=0.02710000 Z=0.97860000 -25: X=0.34430000 Y=0.97290000 Z=0.47860000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -26: X=0.01310000 Y=0.34850000 Z=0.50860000 MULT=12 ISPLIT= 8 -26: X=0.48690000 Y=0.65150000 Z=0.00860000 -26: X=0.51310000 Y=0.15150000 Z=0.49140000 -26: X=0.50860000 Y=0.01310000 Z=0.34850000 -26: X=0.98690000 Y=0.84850000 Z=0.99140000 -26: X=0.99140000 Y=0.98690000 Z=0.84850000 -26: X=0.00860000 Y=0.48690000 Z=0.65150000 -26: X=0.49140000 Y=0.51310000 Z=0.15150000 -26: X=0.34850000 Y=0.50860000 Z=0.01310000 -26: X=0.15150000 Y=0.49140000 Z=0.51310000 -26: X=0.84850000 Y=0.99140000 Z=0.98690000 -26: X=0.65150000 Y=0.00860000 Z=0.48690000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000