P LATTICE,NONEQUIV.ATOMS 1 92 P41212 MODE OF CALC=RELA unit=bohr 6.064131 6.064131 16.962182 90.000000 90.000000 90.000000 ATOM -1: X=0.02700000 Y=0.32500000 Z=0.15400000 MULT= 8 ISPLIT= 8 -1: X=0.17500000 Y=0.52700000 Z=0.40400000 -1: X=0.52700000 Y=0.17500000 Z=0.59600000 -1: X=0.97300000 Y=0.67500000 Z=0.65400000 -1: X=0.32500000 Y=0.02700000 Z=0.84600000 -1: X=0.82500000 Y=0.47300000 Z=0.90400000 -1: X=0.47300000 Y=0.82500000 Z=0.09600000 -1: X=0.67500000 Y=0.97300000 Z=0.34600000 Ca NPT= 781 R0=.000050000 RMT= 2.08 Z: 20.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000