P LATTICE,NONEQUIV.ATOMS 4 213 P4132 MODE OF CALC=RELA unit=bohr 14.996867 14.996867 14.996867 90.000000 90.000000 90.000000 ATOM -1: X=0.37500000 Y=0.37500000 Z=0.37500000 MULT= 4 ISPLIT= 4 -1: X=0.87500000 Y=0.12500000 Z=0.62500000 -1: X=0.12500000 Y=0.62500000 Z=0.87500000 -1: X=0.62500000 Y=0.87500000 Z=0.12500000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -2: X=0.10060000 Y=0.10060000 Z=0.10060000 MULT= 8 ISPLIT= 4 -2: X=0.14940000 Y=0.85060000 Z=0.35060000 -2: X=0.60060000 Y=0.39940000 Z=0.89940000 -2: X=0.39940000 Y=0.89940000 Z=0.60060000 -2: X=0.85060000 Y=0.35060000 Z=0.14940000 -2: X=0.35060000 Y=0.14940000 Z=0.85060000 -2: X=0.89940000 Y=0.60060000 Z=0.39940000 -2: X=0.64940000 Y=0.64940000 Z=0.64940000 Be NPT= 781 R0=.000100000 RMT= 1.27 Z: 4.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -3: X=0.75900000 Y=0.75900000 Z=0.75900000 MULT= 8 ISPLIT= 4 -3: X=0.49100000 Y=0.50900000 Z=0.00900000 -3: X=0.25900000 Y=0.74100000 Z=0.24100000 -3: X=0.74100000 Y=0.24100000 Z=0.25900000 -3: X=0.50900000 Y=0.00900000 Z=0.49100000 -3: X=0.00900000 Y=0.49100000 Z=0.50900000 -3: X=0.24100000 Y=0.25900000 Z=0.74100000 -3: X=0.99100000 Y=0.99100000 Z=0.99100000 F NPT= 781 R0=.000100000 RMT= 1.56 Z: 9.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -4: X=0.12500000 Y=0.03290000 Z=0.28290000 MULT=12 ISPLIT= 8 -4: X=0.21710000 Y=0.87500000 Z=0.53290000 -4: X=0.62500000 Y=0.46710000 Z=0.71710000 -4: X=0.28290000 Y=0.12500000 Z=0.03290000 -4: X=0.37500000 Y=0.96710000 Z=0.78290000 -4: X=0.78290000 Y=0.37500000 Z=0.96710000 -4: X=0.87500000 Y=0.53290000 Z=0.21710000 -4: X=0.71710000 Y=0.62500000 Z=0.46710000 -4: X=0.53290000 Y=0.21710000 Z=0.87500000 -4: X=0.03290000 Y=0.28290000 Z=0.12500000 -4: X=0.96710000 Y=0.78290000 Z=0.37500000 -4: X=0.46710000 Y=0.71710000 Z=0.62500000 F NPT= 781 R0=.000100000 RMT= 1.56 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068