P LATTICE,NONEQUIV.ATOMS 2 58 Pnnm MODE OF CALC=RELA unit=bohr 7.589140 20.339122 7.368042 90.000000 90.000000 90.000000 ATOM -1: X=0.09350000 Y=0.12090000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.90650000 Y=0.87910000 Z=0.00000000 -1: X=0.40650000 Y=0.62090000 Z=0.50000000 -1: X=0.59350000 Y=0.37910000 Z=0.50000000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.01800000 Y=0.35010000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.98200000 Y=0.64990000 Z=0.00000000 -2: X=0.48200000 Y=0.85010000 Z=0.50000000 -2: X=0.51800000 Y=0.14990000 Z=0.50000000 S NPT= 781 R0=.000100000 RMT= 2.10 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000