P LATTICE,NONEQUIV.ATOMS 4 218 P-43n MODE OF CALC=RELA unit=bohr 23.848344 23.848344 23.848344 90.000000 90.000000 90.000000 ATOM -1: X=0.33221000 Y=0.33221000 Z=0.33221000 MULT= 8 ISPLIT= 4 -1: X=0.83221000 Y=0.16779000 Z=0.16779000 -1: X=0.33221000 Y=0.66779000 Z=0.66779000 -1: X=0.66779000 Y=0.66779000 Z=0.33221000 -1: X=0.16779000 Y=0.16779000 Z=0.83221000 -1: X=0.16779000 Y=0.83221000 Z=0.16779000 -1: X=0.66779000 Y=0.33221000 Z=0.66779000 -1: X=0.83221000 Y=0.83221000 Z=0.83221000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -2: X=0.06450000 Y=0.14092000 Z=0.33581000 MULT=24 ISPLIT= 8 -2: X=0.64092000 Y=0.43550000 Z=0.16419000 -2: X=0.06450000 Y=0.85908000 Z=0.66419000 -2: X=0.33581000 Y=0.06450000 Z=0.14092000 -2: X=0.93550000 Y=0.85908000 Z=0.33581000 -2: X=0.35908000 Y=0.43550000 Z=0.83581000 -2: X=0.56450000 Y=0.16419000 Z=0.35908000 -2: X=0.35908000 Y=0.56450000 Z=0.16419000 -2: X=0.93550000 Y=0.14092000 Z=0.66419000 -2: X=0.66419000 Y=0.93550000 Z=0.14092000 -2: X=0.64092000 Y=0.56450000 Z=0.83581000 -2: X=0.43550000 Y=0.83581000 Z=0.35908000 -2: X=0.33581000 Y=0.93550000 Z=0.85908000 -2: X=0.43550000 Y=0.16419000 Z=0.64092000 -2: X=0.66419000 Y=0.06450000 Z=0.85908000 -2: X=0.56450000 Y=0.83581000 Z=0.64092000 -2: X=0.16419000 Y=0.64092000 Z=0.43550000 -2: X=0.14092000 Y=0.33581000 Z=0.06450000 -2: X=0.83581000 Y=0.35908000 Z=0.43550000 -2: X=0.85908000 Y=0.66419000 Z=0.06450000 -2: X=0.16419000 Y=0.35908000 Z=0.56450000 -2: X=0.85908000 Y=0.33581000 Z=0.93550000 -2: X=0.83581000 Y=0.64092000 Z=0.56450000 -2: X=0.14092000 Y=0.66419000 Z=0.93550000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.06766000 Y=0.06766000 Z=0.06766000 MULT= 8 ISPLIT= 4 -3: X=0.56766000 Y=0.43234000 Z=0.43234000 -3: X=0.06766000 Y=0.93234000 Z=0.93234000 -3: X=0.93234000 Y=0.93234000 Z=0.06766000 -3: X=0.43234000 Y=0.43234000 Z=0.56766000 -3: X=0.43234000 Y=0.56766000 Z=0.43234000 -3: X=0.93234000 Y=0.06766000 Z=0.93234000 -3: X=0.56766000 Y=0.56766000 Z=0.56766000 Si NPT= 781 R0=.000100000 RMT= 2.26 Z: 14.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -4: X=0.06197000 Y=0.42628000 Z=0.31695000 MULT=24 ISPLIT= 8 -4: X=0.92628000 Y=0.43803000 Z=0.18305000 -4: X=0.06197000 Y=0.57372000 Z=0.68305000 -4: X=0.31695000 Y=0.06197000 Z=0.42628000 -4: X=0.93803000 Y=0.57372000 Z=0.31695000 -4: X=0.07372000 Y=0.43803000 Z=0.81695000 -4: X=0.56197000 Y=0.18305000 Z=0.07372000 -4: X=0.07372000 Y=0.56197000 Z=0.18305000 -4: X=0.93803000 Y=0.42628000 Z=0.68305000 -4: X=0.68305000 Y=0.93803000 Z=0.42628000 -4: X=0.92628000 Y=0.56197000 Z=0.81695000 -4: X=0.43803000 Y=0.81695000 Z=0.07372000 -4: X=0.31695000 Y=0.93803000 Z=0.57372000 -4: X=0.43803000 Y=0.18305000 Z=0.92628000 -4: X=0.68305000 Y=0.06197000 Z=0.57372000 -4: X=0.56197000 Y=0.81695000 Z=0.92628000 -4: X=0.18305000 Y=0.92628000 Z=0.43803000 -4: X=0.42628000 Y=0.31695000 Z=0.06197000 -4: X=0.81695000 Y=0.07372000 Z=0.43803000 -4: X=0.57372000 Y=0.68305000 Z=0.06197000 -4: X=0.18305000 Y=0.07372000 Z=0.56197000 -4: X=0.57372000 Y=0.31695000 Z=0.93803000 -4: X=0.81695000 Y=0.92628000 Z=0.56197000 -4: X=0.42628000 Y=0.68305000 Z=0.93803000 Si NPT= 781 R0=.000100000 RMT= 2.26 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000