P   LATTICE,NONEQUIV.ATOMS  16    1 P1                                         
MODE OF CALC=RELA unit=bohr                                                    
 12.385265 12.392824 23.861761100.435000100.461000107.530000                   
ATOM  -1: X=0.11180000 Y=0.47860000 Z=0.51510000
          MULT= 1          ISPLIT= 8
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  -2: X=0.16110000 Y=0.03820000 Z=0.75260000
          MULT= 1          ISPLIT= 8
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=0.06490000 Y=0.52590000 Z=0.01350000
          MULT= 1          ISPLIT= 8
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  -4: X=0.62290000 Y=0.57530000 Z=0.25300000
          MULT= 1          ISPLIT= 8
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  -5: X=0.40470000 Y=0.01300000 Z=0.43220000
          MULT= 1          ISPLIT= 8
As         NPT=  781  R0=.000050000 RMT= 2.16        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  -6: X=0.64300000 Y=0.41780000 Z=0.69760000
          MULT= 1          ISPLIT= 8
As         NPT=  781  R0=.000050000 RMT= 2.16        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  -7: X=0.59970000 Y=0.81930000 Z=0.93190000
          MULT= 1          ISPLIT= 8
As         NPT=  781  R0=.000050000 RMT= 2.16        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  -8: X=0.00360000 Y=0.05640000 Z=0.19780000
          MULT= 1          ISPLIT= 8
As         NPT=  781  R0=.000050000 RMT= 2.16        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  -9: X=0.05690000 Y=0.95230000 Z=0.46250000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.16        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 -10: X=0.36830000 Y=0.02620000 Z=0.23650000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.16        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 -11: X=0.01640000 Y=0.49120000 Z=0.75500000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.16        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 -12: X=0.58480000 Y=0.41350000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.16        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 -13: X=0.53760000 Y=0.47070000 Z=0.96320000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.16        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 -14: X=0.61060000 Y=0.78300000 Z=0.73700000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.16        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 -15: X=0.07800000 Y=0.43100000 Z=0.25520000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.16        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 -16: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Se         NPT=  781  R0=.000050000 RMT= 2.16        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000