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
energy calculation                      
           1
     7.865954    0.000000   -0.000000
    -0.000001    7.865954   -0.000000
    -0.000001   -0.000000    6.973035
   Na   S    Sn
   8   8   2
Direct configuration=     1
   0.09306390  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
energy calculation                      
           1
     7.870939    0.000000   -0.000000
    -0.000001    7.870939   -0.000000
    -0.000001   -0.000000    6.977331
   Na   S    Sn
   8   8   2
Direct configuration=     2
   0.09309428  0.30260112  0.46914038
   0.90690570  0.69739888  0.46914042
   0.30260109  0.90690574  0.53085958
   0.69739888  0.09309430  0.53085958
   0.40690573  0.80260115  0.03085957
   0.59309430  0.19739893  0.03085954
   0.19739889  0.40690574  0.96914042
   0.80260110  0.59309434  0.96914043
   0.24179056  0.09398270  0.19066976
   0.75820959  0.90601718  0.19066973
   0.09398279  0.75820959  0.80933034
   0.90601713  0.24179048  0.80933037
   0.25820958  0.59398272  0.30933030
   0.74179038  0.40601712  0.30933031
   0.40601707  0.25820957  0.69066957
   0.59398288  0.74179044  0.69066971
   0.00000002  0.00000002 -0.00000002
   0.49999998  0.50000000  0.49999997
energy calculation                      
           1
     7.878383    0.000000    0.000000
    -0.000001    7.878383   -0.000000
    -0.000001   -0.000000    6.982911
   Na   S    Sn
   8   8   2
Direct configuration=     3
   0.09309963  0.30259914  0.46914936
   0.90690035  0.69740086  0.46914940
   0.30259910  0.90690039  0.53085060
   0.69740086  0.09309965  0.53085059
   0.40690038  0.80259917  0.03085059
   0.59309965  0.19740091  0.03085055
   0.19740087  0.40690039  0.96914940
   0.80259911  0.59309969  0.96914941
   0.24178760  0.09398401  0.19067428
   0.75821255  0.90601588  0.19067427
   0.09398409  0.75821256  0.80932582
   0.90601583  0.24178752  0.80932585
   0.25821254  0.59398400  0.30932578
   0.74178741  0.40601583  0.30932578
   0.40601578  0.25821253  0.69067409
   0.59398418  0.74178748  0.69067423
   0.00000002  0.00000002 -0.00000002
   0.49999997  0.50000000  0.49999997
energy calculation                      
           1
     7.893878    0.000000    0.000000
    -0.000001    7.893879   -0.000001
    -0.000001   -0.000000    6.994529
   Na   S    Sn
   8   8   2
Direct configuration=     4
   0.09320740  0.30257816  0.46920141
   0.90679257  0.69742183  0.46920145
   0.30257814  0.90679260  0.53079856
   0.69742182  0.09320742  0.53079855
   0.40679260  0.80257820  0.03079854
   0.59320742  0.19742187  0.03079850
   0.19742184  0.40679260  0.96920144
   0.80257815  0.59320747  0.96920147
   0.24129454  0.09380801  0.19035231
   0.75870560  0.90619191  0.19035233
   0.09380806  0.75870559  0.80964774
   0.90619188  0.24129448  0.80964779
   0.25870555  0.59380797  0.30964770
   0.74129438  0.40619189  0.30964771
   0.40619183  0.25870557  0.69035217
   0.59380815  0.74129443  0.69035227
   0.00000003  0.00000003  0.00000003
   0.50000000  0.50000000  0.50000000
energy calculation                      
           1
     7.890858    0.000000    0.000000
    -0.000001    7.890859   -0.000000
    -0.000001   -0.000000    6.992264
   Na   S    Sn
   8   8   2
Direct configuration=     5
   0.09343155  0.30253455  0.46930967
   0.90656840  0.69746543  0.46930971
   0.30253454  0.90656841  0.53069031
   0.69746541  0.09343158  0.53069028
   0.40656843  0.80253458  0.03069028
   0.59343156  0.19746546  0.03069022
   0.19746545  0.40656842  0.96930970
   0.80253454  0.59343162  0.96930975
   0.24026904  0.09344195  0.18968257
   0.75973108  0.90655802  0.18968264
   0.09344196  0.75973102  0.81031738
   0.90655803  0.24026904  0.81031748
   0.25973093  0.59344186  0.31031735
   0.74026895  0.40655807  0.31031738
   0.40655799  0.25973099  0.68968255
   0.59344202  0.74026896  0.68968254
   0.00000003  0.00000005  0.00000013
   0.50000004  0.50000000  0.50000004
energy calculation                      
           1
     7.891392    0.000001    0.000000
    -0.000001    7.891393   -0.000000
    -0.000001   -0.000000    6.987124
   Na   S    Sn
   8   8   2
Direct configuration=     6
   0.09338795  0.30254303  0.46928860
   0.90661201  0.69745694  0.46928864
   0.30254302  0.90661203  0.53071137
   0.69745693  0.09338798  0.53071134
   0.40661204  0.80254306  0.03071135
   0.59338796  0.19745698  0.03071129
   0.19745697  0.40661203  0.96928863
   0.80254303  0.59338802  0.96928868
   0.24046853  0.09351316  0.18981290
   0.75953159  0.90648680  0.18981296
   0.09351318  0.75953154  0.81018708
   0.90648680  0.24046853  0.81018716
   0.25953146  0.59351308  0.31018704
   0.74046843  0.40648683  0.31018706
   0.40648676  0.25953151  0.68981285
   0.59351324  0.74046845  0.68981286
   0.00000003  0.00000005  0.00000011
   0.50000003  0.50000000  0.50000003
energy calculation                      
           1
     7.892792    0.000002   -0.000000
     0.000001    7.892792    0.000001
    -0.000001    0.000001    6.973656
   Na   S    Sn
   8   8   2
Direct configuration=     7
   0.09354957  0.30249239  0.46935005
   0.90645039  0.69750758  0.46935009
   0.30249237  0.90645039  0.53064993
   0.69750757  0.09354961  0.53064991
   0.40645041  0.80249241  0.03064991
   0.59354959  0.19750762  0.03064985
   0.19750761  0.40645041  0.96935007
   0.80249239  0.59354964  0.96935012
   0.24040075  0.09347236  0.18988370
   0.75959938  0.90652762  0.18988374
   0.09347236  0.75959937  0.81011632
   0.90652761  0.24040070  0.81011640
   0.25959930  0.59347228  0.31011630
   0.74040064  0.40652764  0.31011628
   0.40652758  0.25959932  0.68988364
   0.59347243  0.74040068  0.68988367
   0.00000002  0.00000003  0.00000002
   0.49999996  0.49999998  0.49999998
energy calculation                      
           1
     7.894314    0.000002    0.000000
     0.000001    7.894313    0.000001
    -0.000001    0.000001    6.972600
   Na   S    Sn
   8   8   2
Direct configuration=     8
   0.09397297  0.30235972  0.46951114
   0.90602701  0.69764025  0.46951117
   0.30235970  0.90602696  0.53048885
   0.69764025  0.09397303  0.53048883
   0.40602698  0.80235971  0.03048884
   0.59397300  0.19764028  0.03048877
   0.19764027  0.40602700  0.96951113
   0.80235974  0.59397304  0.96951120
   0.24022318  0.09336548  0.19006933
   0.75977697  0.90663455  0.19006931
   0.09336543  0.75977705  0.80993080
   0.90663454  0.24022303  0.80993086
   0.25977705  0.59336538  0.30993082
   0.74022305  0.40663453  0.30993071
   0.40663452  0.25977696  0.69006923
   0.59336550  0.74022313  0.69006931
  -0.00000001 -0.00000003 -0.00000020
   0.49999978  0.49999994  0.49999986
energy calculation                      
           1
     7.898879    0.000001    0.000000
     0.000000    7.898878    0.000001
    -0.000001    0.000000    6.969432
   Na   S    Sn
   8   8   2
Direct configuration=     9
   0.09406330  0.30233536  0.46954816
   0.90593667  0.69766460  0.46954819
   0.30233535  0.90593663  0.53045183
   0.69766460  0.09406336  0.53045182
   0.40593665  0.80233535  0.03045182
   0.59406334  0.19766463  0.03045176
   0.19766463  0.40593667  0.96954815
   0.80233539  0.59406338  0.96954821
   0.24021749  0.09334653  0.19012551
   0.75978267  0.90665351  0.19012550
   0.09334648  0.75978273  0.80987460
   0.90665348  0.24021735  0.80987465
   0.25978273  0.59334645  0.30987462
   0.74021736  0.40665348  0.30987452
   0.40665347  0.25978265  0.69012543
   0.59334654  0.74021743  0.69012550
  -0.00000000 -0.00000003 -0.00000018
   0.49999980  0.49999994  0.49999987
energy calculation                      
           1
     7.908009    0.000001    0.000001
    -0.000000    7.908008    0.000000
    -0.000000    0.000000    6.963095
   Na   S    Sn
   8   8   2
Direct configuration=    10
   0.09433424  0.30226230  0.46965922
   0.90566573  0.69773765  0.46965925
   0.30226230  0.90566568  0.53034077
   0.69773766  0.09433431  0.53034076
   0.40566570  0.80226229  0.03034077
   0.59433429  0.19773768  0.03034071
   0.19773769  0.40566572  0.96965920
   0.80226234  0.59433432  0.96965927
   0.24020039  0.09328969  0.19029411
   0.75979975  0.90671036  0.19029409
   0.09328966  0.75979977  0.80970597
   0.90671031  0.24020031  0.80970601
   0.25979976  0.59328967  0.30970598
   0.74020028  0.40671031  0.30970593
   0.40671031  0.25979971  0.69029407
   0.59328966  0.74020032  0.69029409
   0.00000001 -0.00000003 -0.00000013
   0.49999987  0.49999996  0.49999990
energy calculation                      
           1
     7.906139    0.000001    0.000000
    -0.000000    7.906138    0.000000
    -0.000001    0.000000    6.964393
   Na   S    Sn
   8   8   2
Direct configuration=    11
   0.09487580  0.30211626  0.46988145
   0.90512415  0.69788366  0.46988148
   0.30211629  0.90512409  0.53011855
   0.69788368  0.09487590  0.53011855
   0.40512413  0.80211626  0.03011856
   0.59487587  0.19788369  0.03011851
   0.19788371  0.40512413  0.96988141
   0.80211633  0.59487590  0.96988150
   0.24016622  0.09317607  0.19063144
   0.75983389  0.90682401  0.19063142
   0.09317609  0.75983382  0.80936856
   0.90682389  0.24016624  0.80936856
   0.25983380  0.59317616  0.30936854
   0.74016615  0.40682391  0.30936860
   0.40682393  0.25983381  0.69063150
   0.59317598  0.74016614  0.69063142
   0.00000003 -0.00000003 -0.00000003
   0.50000000  0.50000000  0.49999996
energy calculation                      
           1
     7.906635    0.000001    0.000000
    -0.000000    7.906635    0.000000
    -0.000001    0.000000    6.965447
   Na   S    Sn
   8   8   2
Direct configuration=    12
   0.09476501  0.30214614  0.46983590
   0.90523494  0.69785379  0.46983593
   0.30214616  0.90523488  0.53016410
   0.69785381  0.09476510  0.53016410
   0.40523492  0.80214613  0.03016411
   0.59476508  0.19785382  0.03016406
   0.19785384  0.40523493  0.96983586
   0.80214620  0.59476510  0.96983594
   0.24017321  0.09319932  0.19056229
   0.75982691  0.90680076  0.19056227
   0.09319933  0.75982686  0.80943773
   0.90680065  0.24017321  0.80943773
   0.25982683  0.59319938  0.30943771
   0.74017313  0.40680067  0.30943775
   0.40680068  0.25982684  0.69056232
   0.59319924  0.74017314  0.69056227
   0.00000003 -0.00000003 -0.00000005
   0.49999997  0.49999999  0.49999995
energy calculation                      
           1
     7.908124    0.000000    0.000000
    -0.000001    7.908124    0.000000
    -0.000001    0.000000    6.968609
   Na   S    Sn
   8   8   2
Direct configuration=    13
   0.09489626  0.30213672  0.46989308
   0.90510369  0.69786320  0.46989311
   0.30213675  0.90510363  0.53010692
   0.69786323  0.09489636  0.53010692
   0.40510367  0.80213672  0.03010693
   0.59489633  0.19786323  0.03010689
   0.19786325  0.40510367  0.96989305
   0.80213678  0.59489636  0.96989312
   0.24014704  0.09312754  0.19057504
   0.75985306  0.90687253  0.19057504
   0.09312756  0.75985298  0.80942494
   0.90687243  0.24014706  0.80942495
   0.25985297  0.59312761  0.30942493
   0.74014698  0.40687245  0.30942498
   0.40687246  0.25985299  0.69057509
   0.59312746  0.74014698  0.69057503
   0.00000004  0.00000000 -0.00000002
   0.49999999  0.49999999  0.49999998
energy calculation                      
           1
     7.911101   -0.000001   -0.000000
    -0.000002    7.911102    0.000000
    -0.000001    0.000000    6.974933
   Na   S    Sn
   8   8   2
Direct configuration=    14
   0.09529000  0.30210847  0.47006460
   0.90470994  0.69789145  0.47006463
   0.30210851  0.90470991  0.52993539
   0.69789147  0.09529009  0.52993541
   0.40470994  0.80210848  0.02993541
   0.59529007  0.19789147  0.02993538
   0.19789150  0.40470993  0.97006457
   0.80210854  0.59529009  0.97006464
   0.24006853  0.09291220  0.19061330
   0.75993150  0.90708783  0.19061334
   0.09291226  0.75993136  0.80938659
   0.90708776  0.24006863  0.80938662
   0.25993136  0.59291232  0.30938659
   0.74006854  0.40708777  0.30938666
   0.40708778  0.25993144  0.69061338
   0.59291212  0.74006851  0.69061332
   0.00000009  0.00000009  0.00000008
   0.50000004  0.49999999  0.50000006
energy calculation                      
           1
     7.917056   -0.000003   -0.000002
    -0.000004    7.917058    0.000000
    -0.000002    0.000000    6.987580
   Na   S    Sn
   8   8   2
Direct configuration=    15
   0.09607732  0.30205197  0.47040749
   0.90392260  0.69794793  0.47040752
   0.30205206  0.90392260  0.52959250
   0.69794794  0.09607740  0.52959254
   0.40392264  0.80205200  0.02959254
   0.59607740  0.19794794  0.02959253
   0.19794798  0.40392260  0.97040746
   0.80205206  0.59607741  0.97040752
   0.23991154  0.09248162  0.19068977
   0.76008837  0.90751836  0.19068992
   0.09248174  0.76008807  0.80930991
   0.90751832  0.23991178  0.80930998
   0.26008812  0.59248181  0.30930993
   0.73991169  0.40751833  0.30931007
   0.40751834  0.26008832  0.69068993
   0.59248154  0.73991160  0.69068987
   0.00000017  0.00000026  0.00000027
   0.50000013  0.50000000  0.50000022
energy calculation                      
           1
     7.912932   -0.000002   -0.000001
    -0.000003    7.912933    0.000000
    -0.000002    0.000000    6.978821
   Na   S    Sn
   8   8   2
Direct configuration=    16
   0.09765137  0.30193903  0.47109265
   0.90234851  0.69806085  0.47109268
   0.30193918  0.90234858  0.52890733
   0.69806084  0.09765144  0.52890742
   0.40234862  0.80193910  0.02890740
   0.59765146  0.19806083  0.02890744
   0.19806089  0.40234852  0.97109263
   0.80193913  0.59765145  0.97109266
   0.23959768  0.09162079  0.19084259
   0.76040198  0.90837909  0.19084293
   0.09162103  0.76040139  0.80915671
   0.90837914  0.23959822  0.80915685
   0.26040152  0.59162112  0.30915677
   0.73959809  0.40837912  0.30915702
   0.40837914  0.26040196  0.69084289
   0.59162069  0.73959790  0.69084282
   0.00000035  0.00000062  0.00000064
   0.50000033  0.50000001  0.50000054
energy calculation                      
           1
     7.912967    0.000004    0.000002
     0.000003    7.912965    0.000000
     0.000000    0.000000    6.975602
   Na   S    Sn
   8   8   2
Direct configuration=    17
   0.09656206  0.30201719  0.47061899
   0.90343785  0.69798271  0.47061903
   0.30201729  0.90343787  0.52938099
   0.69798271  0.09656214  0.52938105
   0.40343791  0.80201723  0.02938104
   0.59656214  0.19798271  0.02938104
   0.19798275  0.40343785  0.97061897
   0.80201728  0.59656215  0.97061902
   0.23981488  0.09221652  0.19073695
   0.76018495  0.90778343  0.19073715
   0.09221668  0.76018456  0.80926262
   0.90778342  0.23981522  0.80926271
   0.26018463  0.59221675  0.30926265
   0.73981511  0.40778342  0.30926282
   0.40778343  0.26018491  0.69073715
   0.59221643  0.73981499  0.69073709
   0.00000023  0.00000037  0.00000038
   0.50000019  0.50000000  0.50000032
energy calculation                      
           1
     7.912967    0.000004    0.000002
     0.000003    7.912965    0.000000
     0.000000    0.000000    6.975602
   Na   S    Sn
   8   8   2
Direct configuration=    18
   0.09673485  0.30199591  0.47071160
   0.90326511  0.69800404  0.47071164
   0.30199591  0.90326505  0.52928838
   0.69800406  0.09673490  0.52928842
   0.40326511  0.80199585  0.02928840
   0.59673494  0.19800405  0.02928841
   0.19800408  0.40326516  0.97071157
   0.80199599  0.59673495  0.97071162
   0.23990776  0.09208153  0.19066062
   0.76009262  0.90791871  0.19066036
   0.09208124  0.76009285  0.80933989
   0.90791866  0.23990746  0.80933962
   0.26009273  0.59208130  0.30933978
   0.73990737  0.40791865  0.30933968
   0.40791862  0.26009244  0.69066042
   0.59208137  0.73990757  0.69066051
  -0.00000017 -0.00000040 -0.00000059
   0.49999971  0.50000001  0.49999964
