P LATTICE,NONEQUIV.ATOMS 4 2 P-1 MODE OF CALC=RELA unit=bohr 10.814903 11.243870 11.578730 73.361000 66.730000 75.000000 ATOM -1: X=0.30700000 Y=0.67500000 Z=0.33400000 MULT= 2 ISPLIT= 8 -1: X=0.69300000 Y=0.32500000 Z=0.66600000 Sr NPT= 781 R0=.000010000 RMT= 2.28 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.19100000 Y=0.00200000 Z=0.00100000 MULT= 2 ISPLIT= 8 -2: X=0.80900000 Y=0.99800000 Z=0.99900000 As NPT= 781 R0=.000050000 RMT= 1.84 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.42400000 Y=0.13000000 Z=0.39600000 MULT= 2 ISPLIT= 8 -3: X=0.57600000 Y=0.87000000 Z=0.60400000 As NPT= 781 R0=.000050000 RMT= 1.84 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.10000000 Y=0.39600000 Z=0.10000000 MULT= 2 ISPLIT= 8 -4: X=0.90000000 Y=0.60400000 Z=0.90000000 As NPT= 781 R0=.000050000 RMT= 1.84 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000