P LATTICE,NONEQUIV.ATOMS 4 19 P212121 MODE OF CALC=RELA unit=bohr 7.993542 13.133597 26.153810 90.000000 90.000000 90.000000 ATOM -1: X=0.00400000 Y=0.20400000 Z=0.12300000 MULT= 4 ISPLIT= 8 -1: X=0.49600000 Y=0.79600000 Z=0.62300000 -1: X=0.50400000 Y=0.29600000 Z=0.87700000 -1: X=0.99600000 Y=0.70400000 Z=0.37700000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.23200000 Y=0.20900000 Z=0.37100000 MULT= 4 ISPLIT= 8 -2: X=0.26800000 Y=0.79100000 Z=0.87100000 -2: X=0.73200000 Y=0.29100000 Z=0.62900000 -2: X=0.76800000 Y=0.70900000 Z=0.12900000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.23000000 Y=0.08800000 Z=0.72700000 MULT= 4 ISPLIT= 8 -3: X=0.27000000 Y=0.91200000 Z=0.22700000 -3: X=0.73000000 Y=0.41200000 Z=0.27300000 -3: X=0.77000000 Y=0.58800000 Z=0.77300000 Se NPT= 781 R0=.000050000 RMT= 2.50000 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.26500000 Y=0.51200000 Z=0.02700000 MULT= 4 ISPLIT= 8 -4: X=0.23500000 Y=0.48800000 Z=0.52700000 -4: X=0.76500000 Y=0.98800000 Z=0.97300000 -4: X=0.73500000 Y=0.01200000 Z=0.47300000 Se NPT= 781 R0=.000050000 RMT= 2.50000 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000