P LATTICE,NONEQUIV.ATOMS 6 113 P-421m MODE OF CALC=RELA unit=bohr 15.138596 15.138596 9.756656 90.000000 90.000000 90.000000 ATOM -1: X=0.16670000 Y=0.66670000 Z=0.50660000 MULT= 4 ISPLIT= 8 -1: X=0.66670000 Y=0.83330000 Z=0.49340000 -1: X=0.83330000 Y=0.33330000 Z=0.50660000 -1: X=0.33330000 Y=0.16670000 Z=0.49340000 Sr NPT= 781 R0=.000010000 RMT= 2.27 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=-2 -2: X=0.50000000 Y=0.50000000 Z=0.00000000 Mg NPT= 781 R0=.000100000 RMT= 1.78 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.63660000 Y=0.13660000 Z=0.93400000 MULT= 4 ISPLIT= 8 -3: X=0.13660000 Y=0.36340000 Z=0.06600000 -3: X=0.36340000 Y=0.86340000 Z=0.93400000 -3: X=0.86340000 Y=0.63660000 Z=0.06600000 Si NPT= 781 R0=.000100000 RMT= 1.40 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.50000000 Z=0.15300000 MULT= 2 ISPLIT= 8 -4: X=0.50000000 Y=0.00000000 Z=0.84700000 O NPT= 781 R0=.000100000 RMT= 1.63 Z: 8.00000 LOCAL ROT MATRIX: 0.7071068 0.7071068 0.0000000 -0.7071068 0.7071068 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.64900000 Y=0.14900000 Z=0.26900000 MULT= 4 ISPLIT= 8 -5: X=0.14900000 Y=0.35100000 Z=0.73100000 -5: X=0.35100000 Y=0.85100000 Z=0.26900000 -5: X=0.85100000 Y=0.64900000 Z=0.73100000 O NPT= 781 R0=.000100000 RMT= 1.63 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -6: X=0.07710000 Y=0.18570000 Z=0.19200000 MULT= 8 ISPLIT= 8 -6: X=0.18570000 Y=0.92290000 Z=0.80800000 -6: X=0.57710000 Y=0.31430000 Z=0.80800000 -6: X=0.92290000 Y=0.81430000 Z=0.19200000 -6: X=0.31430000 Y=0.42290000 Z=0.19200000 -6: X=0.81430000 Y=0.07710000 Z=0.80800000 -6: X=0.42290000 Y=0.68570000 Z=0.80800000 -6: X=0.68570000 Y=0.57710000 Z=0.19200000 O NPT= 781 R0=.000100000 RMT= 1.63 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000