energy calculation                      
           1
     7.837727    0.000000    0.000000
    -0.000001    7.837727    0.000000
    -0.000001    0.000000    6.948710
   Na   S    Sn
   8   8   2
Direct configuration=     1
   0.09178802  0.30261238  0.46908935
   0.90693610  0.69738762  0.46908938
   0.30261235  0.90693613  0.53091062
   0.69738763  0.09306392  0.53091062
   0.40693612  0.80261241  0.03091062
   0.59306393  0.19738766  0.03091059
   0.19738763  0.40693613  0.96908938
   0.80261236  0.59306396  0.96908938
   0.24180739  0.09397526  0.19064404
   0.75819276  0.90602458  0.19064394
   0.09397538  0.75819274  0.80935606
   0.90602453  0.24180732  0.80935606
   0.25819273  0.59397545  0.30935596
   0.74180726  0.40602446  0.30935606
   0.40602443  0.25819271  0.69064391
   0.59397545  0.74180729  0.69064404
   0.00000000  0.00000000  0.00000000
   0.50000000  0.50000000  0.49999997
Direct configuration=     2
   0.09193462  0.30260449  0.46909678
   0.90690684  0.69741058  0.46914118
   0.30259939  0.90691437  0.53085772
   0.69737862  0.09308545  0.53086627
   0.40690239  0.80260133  0.03086027
   0.59308806  0.19739840  0.03085421
   0.19740537  0.40690428  0.96913934
   0.80260120  0.59309634  0.96913755
   0.24176212  0.09400355  0.19069021
   0.75820924  0.90602147  0.19067241
   0.09397730  0.75820852  0.80932707
   0.90599176  0.24179143  0.80935717
   0.25820541  0.59396806  0.30933739
   0.74180161  0.40601652  0.30931735
   0.40600363  0.25821783  0.69065178
   0.59398935  0.74179111  0.69066726
   0.00002320 -0.00001270  0.00000325
   0.49994396  0.49997900  0.50002276
Direct configuration=     3
   0.09237441  0.30258082  0.46911907
   0.90681910  0.69747949  0.46929658
   0.30256049  0.90684909  0.53069902
   0.69735160  0.09315003  0.53073321
   0.40680119  0.80256809  0.03070921
   0.59316045  0.19743061  0.03068506
   0.19745857  0.40680875  0.96928921
   0.80256771  0.59319346  0.96928207
   0.24162630  0.09408843  0.19082872
   0.75825870  0.90601212  0.19075784
   0.09398307  0.75825586  0.80924011
   0.90589346  0.24174376  0.80936050
   0.25824344  0.59394590  0.30928170
   0.74178465  0.40599268  0.30920122
   0.40594124  0.25829319  0.69067539
   0.59403106  0.74174255  0.69073692
   0.00009280 -0.00005079  0.00001299
   0.49977583  0.49991599  0.50009116
Direct configuration=     4
   0.09248033  0.30257714  0.46913891
   0.90678745  0.69749131  0.46933842
   0.30255323  0.90682635  0.53065478
   0.69734696  0.09317344  0.53069199
   0.40677514  0.80256190  0.03066754
   0.59318725  0.19743621  0.03064008
   0.19746539  0.40678085  0.96933103
   0.80256066  0.59322056  0.96932653
   0.24161468  0.09410542  0.19086593
   0.75828231  0.90601165  0.19076892
   0.09399040  0.75826563  0.80921862
   0.90588128  0.24172074  0.80936114
   0.25823616  0.59394931  0.30925591
   0.74174124  0.40599931  0.30920333
   0.40591507  0.25829048  0.69069801
   0.59403040  0.74172079  0.69074792
   0.00006877 -0.00004890  0.00001276
   0.49980733  0.49991786  0.50007815
Direct configuration=     5
   0.09279811  0.30256608  0.46919840
   0.90669252  0.69752680  0.46946394
   0.30253145  0.90675812  0.53052207
   0.69733303  0.09324366  0.53056832
   0.40669700  0.80254330  0.03054252
   0.59326765  0.19745300  0.03050513
   0.19748582  0.40669716  0.96945651
   0.80253954  0.59330186  0.96945992
   0.24157982  0.09415639  0.19097759
   0.75835315  0.90601023  0.19080217
   0.09401239  0.75829491  0.80915415
   0.90584477  0.24165171  0.80936308
   0.25821432  0.59395953  0.30917852
   0.74161100  0.40601918  0.30920967
   0.40583657  0.25828235  0.69076589
   0.59402842  0.74165551  0.69078091
  -0.00000331 -0.00004323  0.00001209
   0.49990184  0.49992345  0.50003910
Direct configuration=     6
   0.09295056  0.30256078  0.46922694
   0.90664696  0.69754383  0.46952417
   0.30252101  0.90672539  0.53045839
   0.69732636  0.09327734  0.53050899
   0.40665951  0.80253438  0.03048253
   0.59330622  0.19746105  0.03044038
   0.19749563  0.40665701  0.96951672
   0.80252939  0.59334087  0.96952393
   0.24156309  0.09418084  0.19103116
   0.75838714  0.90600955  0.19081811
   0.09402294  0.75830896  0.80912321
   0.90582725  0.24161859  0.80936401
   0.25820385  0.59396443  0.30914139
   0.74154851  0.40602872  0.30921272
   0.40579890  0.25827846  0.69079845
   0.59402746  0.74162420  0.69079674
  -0.00003790 -0.00004051  0.00001176
   0.49994718  0.49992614  0.50002036
Direct configuration=     7
   0.09311792  0.30256606  0.46930213
   0.90658616  0.69755196  0.46960197
   0.30251229  0.90667200  0.53037782
   0.69731569  0.09333105  0.53043167
   0.40660152  0.80253301  0.03040956
   0.59335500  0.19746296  0.03036018
   0.19749154  0.40660048  0.96959535
   0.80252458  0.59339337  0.96960830
   0.24154858  0.09416628  0.19103206
   0.75838218  0.90599875  0.19084537
   0.09403091  0.75832700  0.80911199
   0.90582822  0.24159466  0.80934955
   0.25821589  0.59397006  0.30913280
   0.74152257  0.40602370  0.30919928
   0.40578353  0.25828846  0.69080761
   0.59401346  0.74160215  0.69081000
  -0.00003627 -0.00001701  0.00000864
   0.49993030  0.49993508  0.50001571
Direct configuration=     8
   0.09358739  0.30258087  0.46951308
   0.90641558  0.69757476  0.46982020
   0.30248784  0.90652223  0.53015178
   0.69728576  0.09348173  0.53021477
   0.40643884  0.80252915  0.03020483
   0.59349183  0.19746834  0.03013521
   0.19748007  0.40644190  0.96981593
   0.80251110  0.59354064  0.96984502
   0.24150790  0.09412543  0.19103456
   0.75836829  0.90596845  0.19092185
   0.09405325  0.75837759  0.80908051
   0.90583094  0.24152755  0.80930899
   0.25824968  0.59398586  0.30910870
   0.74144979  0.40600963  0.30916156
   0.40574041  0.25831653  0.69083329
   0.59397417  0.74154031  0.69084720
  -0.00003172  0.00004891 -0.00000012
   0.49988294  0.49996016  0.50000263
Direct configuration=     9
   0.09363644  0.30259815  0.46961626
   0.90637244  0.69755523  0.46986563
   0.30249243  0.90647539  0.53011121
   0.69727891  0.09353314  0.53016485
   0.40639430  0.80254173  0.03016747
   0.59352228  0.19745163  0.03009020
   0.19745618  0.40640251  0.96985947
   0.80252557  0.59358083  0.96989661
   0.24154647  0.09408242  0.19098750
   0.75835787  0.90597749  0.19089786
   0.09403485  0.75839676  0.80911575
   0.90584523  0.24157500  0.80924829
   0.25824558  0.59400070  0.30911278
   0.74148315  0.40599500  0.30915082
   0.40577752  0.25834297  0.69079929
   0.59396301  0.74156793  0.69086705
  -0.00004017 -0.00000850  0.00002619
   0.49983199  0.49993163  0.50002273
