37
Pt3Ag34_+10_C2v
Pt        0.000000    0.000000   -1.390267
Ag       -2.372636    0.000000   -2.928330
Ag        0.000000   -1.473769   -3.720837
Ag        0.000000    1.473769   -3.720837
Ag       -1.558182    2.299503   -1.367039
Ag       -1.558182   -2.299503   -1.367039
Ag        2.445008    0.000000    0.113577
Ag        0.000000    1.440181    0.957869
Ag        0.000000   -1.440181    0.957869
Ag        1.558182   -2.299503   -1.367039
Ag        2.372636    0.000000   -2.928330
Ag        1.558182    2.299503   -1.367039
Pt        5.234106    0.000000    0.699569
Ag        4.451955   -1.462288   -1.524472
Ag        4.451955    1.462288   -1.524472
Ag        3.828790    2.341833    1.152385
Ag        3.505324    0.000000    2.841074
Ag        3.828790   -2.341833    1.152385
Ag        7.997062    0.000000    1.329393
Ag        6.063873    1.441013    2.931958
Ag        6.063873   -1.441013    2.931958
Ag        6.645916   -2.336885    0.238820
Ag        7.006504    0.000000   -1.437398
Ag        6.645916    2.336885    0.238820
Ag       -2.445008    0.000000    0.113577
Ag       -4.451955    1.462288   -1.524472
Ag       -4.451955   -1.462288   -1.524472
Ag       -6.645916    2.336885    0.238820
Ag       -7.006504    0.000000   -1.437398
Ag       -7.997062    0.000000    1.329393
Ag       -6.645916   -2.336885    0.238820
Pt       -5.234106    0.000000    0.699569
Ag       -3.828790    2.341833    1.152385
Ag       -3.828790   -2.341833    1.152385
Ag       -6.063873    1.441013    2.931958
Ag       -6.063873   -1.441013    2.931958
Ag       -3.505324    0.000000    2.841074
37
Pt3Ag34_+10_D5d
Pt        0.000000    0.000000    0.000000
Ag        0.000000    0.000000    2.844087
Ag        2.326517   -0.755931    1.317145
Ag        0.000000   -2.446245    1.317145
Ag       -2.326517   -0.755931    1.317145
Ag       -1.437867    1.979054    1.317145
Ag        1.437867    1.979054    1.317145
Ag        0.000000    0.000000   -2.844087
Ag       -2.326517    0.755931   -1.317145
Ag        0.000000    2.446245   -1.317145
Ag        2.326517    0.755931   -1.317145
Ag        1.437867   -1.979054   -1.317145
Ag       -1.437867   -1.979054   -1.317145
Pt        0.000000    0.000000    5.621113
Ag       -2.349247    0.763317    4.335890
Ag        0.000000    2.470145    4.335890
Ag        2.349247    0.763317    4.335890
Ag        1.451915   -1.998389    4.335890
Ag       -1.451915   -1.998389    4.335890
Ag        0.000000    0.000000    8.481903
Ag        2.330157   -0.757114    6.894667
Ag        0.000000   -2.450072    6.894667
Ag       -2.330157   -0.757114    6.894667
Ag       -1.440116    1.982150    6.894667
Ag        1.440116    1.982150    6.894667
Pt        0.000000    0.000000   -5.621113
Ag        2.349247   -0.763317   -4.335890
Ag        0.000000   -2.470145   -4.335890
Ag       -2.349247   -0.763317   -4.335890
Ag       -1.451915    1.998389   -4.335890
Ag        1.451915    1.998389   -4.335890
Ag        0.000000    0.000000   -8.481903
Ag       -2.330157    0.757114   -6.894667
Ag        0.000000    2.450072   -6.894667
Ag        2.330157    0.757114   -6.894667
Ag        1.440116   -1.982150   -6.894667
Ag       -1.440116   -1.982150   -6.894667
37
Pt3Ag34_+12_D5d
Pt        0.000000    0.000000    0.000000
Ag        0.000000    0.000000    2.748472
Ag        2.363480   -0.767941    1.292954
Ag        0.000000   -2.485110    1.292954
Ag       -2.363480   -0.767941    1.292954
Ag       -1.460711    2.010496    1.292954
Ag        1.460711    2.010496    1.292954
Ag        0.000000    0.000000   -2.748472
Ag       -2.363480    0.767941   -1.292954
Ag        0.000000    2.485110   -1.292954
Ag        2.363480    0.767941   -1.292954
Ag        1.460711   -2.010496   -1.292954
Ag       -1.460711   -2.010496   -1.292954
Pt        0.000000    0.000000    5.463676
Ag       -2.372274    0.770798    4.160338
Ag        0.000000    2.494356    4.160338
Ag        2.372274    0.770798    4.160338
Ag        1.466146   -2.017977    4.160338
Ag       -1.466146   -2.017977    4.160338
Ag        0.000000    0.000000    8.249536
Ag        2.380778   -0.773562    6.668375
Ag        0.000000   -2.503298    6.668375
Ag       -2.380778   -0.773562    6.668375
Ag       -1.471402    2.025211    6.668375
Ag        1.471402    2.025211    6.668375
Pt        0.000000    0.000000   -5.463676
Ag        2.372274   -0.770798   -4.160338
Ag        0.000000   -2.494356   -4.160338
Ag       -2.372274   -0.770798   -4.160338
Ag       -1.466146    2.017977   -4.160338
Ag        1.466146    2.017977   -4.160338
Ag        0.000000    0.000000   -8.249536
Ag       -2.380778    0.773562   -6.668375
Ag        0.000000    2.503298   -6.668375
Ag        2.380778    0.773562   -6.668375
Ag        1.471402   -2.025211   -6.668375
Ag       -1.471402   -2.025211   -6.668375
33
Pt3Ag30_+8_D3d
Pt        0.000000    0.000000    4.507334
Ag        0.000000    1.729580    2.254889
Ag        0.000000    2.709632    5.029259
Ag       -2.335405    1.348347    3.948411
Ag       -1.497860   -0.864790    2.254889
Ag        1.497860   -0.864790    2.254889
Ag        2.335405    1.348347    3.948411
Ag        0.000000   -1.677084    6.728475
Ag        0.000000   -2.696693    3.948411
Ag        2.346610   -1.354816    5.029259
Ag        1.452397    0.838542    6.728475
Ag       -1.452397    0.838542    6.728475
Ag       -2.346610   -1.354816    5.029259
Pt        0.000000    0.000000    0.000000
Ag        1.497860    0.864790   -2.254889
Ag       -1.497860    0.864790   -2.254889
Ag        0.000000   -1.729580   -2.254889
Ag       -2.335002    1.348114    0.550987
Ag        2.335002    1.348114    0.550987
Ag       -2.335002   -1.348114   -0.550987
Ag        2.335002   -1.348114   -0.550987
Ag        0.000000    2.696228   -0.550987
Ag        0.000000   -2.696228    0.550987
Pt        0.000000    0.000000   -4.507334
Ag        0.000000    1.677084   -6.728475
Ag        1.452397   -0.838542   -6.728475
Ag       -1.452397   -0.838542   -6.728475
Ag        0.000000    2.696693   -3.948411
Ag       -2.335405   -1.348347   -3.948411
Ag        2.346610    1.354816   -5.029259
Ag        0.000000   -2.709632   -5.029259
Ag        2.335405   -1.348347   -3.948411
Ag       -2.346610    1.354816   -5.029259
33
Pt3Ag30_+10_C2v
Ag       -2.347135    0.000000   -0.420913
Ag       -2.386022    0.000000    2.514206
Ag       -1.528938    2.366813    1.053735
Ag        0.000000    1.462863    3.381055
Pt        0.000000    0.000000    1.033740
Ag        0.000000   -1.462863    3.381055
Ag       -1.528938   -2.366813    1.053735
Ag        2.386022    0.000000    2.514206
Ag        1.528938    2.366813    1.053735
Ag        0.000000    1.499407   -1.394598
Ag        2.347135    0.000000   -0.420913
Ag        0.000000   -1.499407   -1.394598
Ag        1.528938   -2.366813    1.053735
Pt        0.000000   -4.158549   -0.459699
Ag       -1.503155   -5.947383   -1.985501
Ag        0.000000   -6.762664    0.469595
Ag        1.503155   -5.947383   -1.985501
Ag        2.390036   -5.102688    0.662730
Ag       -2.366128   -3.231703   -1.584616
Ag       -2.390036   -5.102688    0.662730
Ag        2.366128   -3.231703   -1.584616
Ag        0.000000   -4.511412    2.298640
Ag        0.000000   -3.805573   -3.225540
Pt        0.000000    4.158549   -0.459699
Ag        0.000000    6.762664    0.469595
Ag       -1.503155    5.947383   -1.985501
Ag        1.503155    5.947383   -1.985501
Ag        0.000000    3.805573   -3.225540
Ag        2.390036    5.102688    0.662730
Ag       -2.366128    3.231703   -1.584616
Ag        0.000000    4.511412    2.298640
Ag       -2.390036    5.102688    0.662730
Ag        2.366128    3.231703   -1.584616
25
Pt3Ag22_+6_D5d
Pt        0.000000    0.000000    0.000000
Ag       -1.446492    1.990926   -1.387810
Ag        1.446492   -1.990926    1.387810
Ag       -1.446492   -1.990926    1.387810
Ag        1.446492    1.990926   -1.387810
Ag       -2.340474    0.760466    1.387810
Ag        2.340474   -0.760466   -1.387810
Ag        2.340474    0.760466    1.387810
Ag       -2.340474   -0.760466   -1.387810
Ag        0.000000    2.460920    1.387810
Ag        0.000000   -2.460920   -1.387810
Pt        0.000000    0.000000    2.751733
Pt        0.000000    0.000000   -2.751733
Ag        0.000000    0.000000    5.562964
Ag        0.000000    0.000000   -5.562964
Ag       -1.444674    1.988423    3.963928
Ag        1.444674    1.988423    3.963928
Ag        2.337531   -0.759510    3.963928
Ag       -2.337531   -0.759510    3.963928
Ag        0.000000   -2.457826    3.963928
Ag        1.444674   -1.988423   -3.963928
Ag       -1.444674   -1.988423   -3.963928
Ag       -2.337531    0.759510   -3.963928
Ag        2.337531    0.759510   -3.963928
Ag        0.000000    2.457826   -3.963928
36
Pt3Ag33_+9_D3h
Pt       -1.630636   -2.824345    0.000000
Ag       -1.788812    0.000000    0.000000
Ag       -0.880442   -1.524970   -2.316091
Ag       -0.880442   -1.524970    2.316091
Ag       -1.590033   -5.667279    0.000000
Ag       -3.693178   -1.690369    1.440571
Ag       -3.693178   -1.690369   -1.440571
Ag       -4.112991   -4.210649    0.000000
Ag        0.382687   -4.043570   -1.440571
Ag        0.382687   -4.043570    1.440571
Ag       -2.392182   -4.143381   -2.308480
Ag       -2.392182   -4.143381    2.308480
Pt       -1.630636    2.824345    0.000000
Ag        0.894406    1.549156    0.000000
Ag       -0.880442    1.524970   -2.316091
Ag       -0.880442    1.524970    2.316091
Ag       -4.112991    4.210649    0.000000
Ag        0.382687    4.043570    1.440571
Ag        0.382687    4.043570   -1.440571
Ag       -1.590033    5.667279    0.000000
Ag       -3.693178    1.690369   -1.440571
Ag       -3.693178    1.690369    1.440571
Ag       -2.392182    4.143381   -2.308480
Ag       -2.392182    4.143381    2.308480
Pt        3.261272    0.000000    0.000000
Ag        0.894406   -1.549156    0.000000
Ag        1.760884    0.000000   -2.316091
Ag        1.760884    0.000000    2.316091
Ag        5.703024    1.456631    0.000000
Ag        3.310491   -2.353202    1.440571
Ag        3.310491   -2.353202   -1.440571
Ag        5.703024   -1.456631    0.000000
Ag        3.310491    2.353202   -1.440571
Ag        3.310491    2.353202    1.440571
Ag        4.784365    0.000000   -2.308480
Ag        4.784365    0.000000    2.308480
31
Pt3Ag28_+10_C3v
Pt        1.283675    2.223390    0.005115
Ag       -0.325754    4.197423    1.093938
Ag       -0.833537    1.443728    1.699204
Ag       -1.404621    2.432875   -1.076124
Ag        0.856174    4.428594   -1.636225
Ag        2.617015    4.532803    0.772179
Ag        1.570136    2.719555    2.766411
Ag        2.809242    0.000000   -1.076124
Ag        3.407188    2.955765   -1.636225
Ag        3.797952    1.816600    1.093938
Ag        1.667074    0.000000    1.699204
Ag        0.000000    0.000000   -0.942993
Ag        1.060221    1.836358   -2.774759
Pt        1.283675   -2.223390    0.005115
Ag       -0.325754   -4.197423    1.093938
Ag        0.856174   -4.428594   -1.636225
Ag        2.617015   -4.532803    0.772179
Ag        1.570136   -2.719555    2.766411
Ag       -1.404621   -2.432875   -1.076124
Ag        1.060221   -1.836358   -2.774759
Ag        3.797952   -1.816600    1.093938
Ag        3.407188   -2.955765   -1.636225
Ag       -0.833537   -1.443728    1.699204
Ag       -2.120443    0.000000   -2.774759
Pt       -2.567349    0.000000    0.005115
Ag       -4.263361   -1.472829   -1.636225
Ag       -3.472198   -2.380823    1.093938
Ag       -3.140272    0.000000    2.766411
Ag       -3.472198    2.380823    1.093938
Ag       -5.234030    0.000000    0.772179
Ag       -4.263361    1.472829   -1.636225
23
Pt3Ag20_D3h
Pt        0.786094    1.361554    0.000000
Pt        0.786094   -1.361554    0.000000
Pt       -1.572187    0.000000    0.000000
Ag        0.597940    4.016543    0.000000
Ag       -1.360343    2.356183    1.522334
Ag       -1.360343    2.356183   -1.522334
Ag        1.423226    2.465100   -2.438279
Ag        3.179459    2.526103    0.000000
Ag        1.423226    2.465100    2.438279
Ag        0.000000    0.000000    2.476393
Ag        0.000000    0.000000   -2.476393
Ag        2.720686    0.000000   -1.522334
Ag        2.720686    0.000000    1.522334
Ag        1.423226   -2.465100    2.438279
Ag       -1.360343   -2.356183    1.522334
Ag       -1.360343   -2.356183   -1.522334
Ag        1.423226   -2.465100   -2.438279
Ag        3.179459   -2.526103    0.000000
Ag        0.597940   -4.016543    0.000000
Ag       -3.777398    1.490441    0.000000
Ag       -2.846452    0.000000   -2.438279
Ag       -2.846452    0.000000    2.438279
Ag       -3.777398   -1.490441    0.000000
49
Pt4Ag45_15_D5d
Pt        0.000000    0.000000    2.768806
Pt        0.000000    0.000000    8.294707
Ag        0.000000    0.000000   11.112990
Ag        2.361627    0.767339    9.543435
Ag        0.000000    2.483162    9.543435
Ag       -2.361627    0.767339    9.543435
Ag       -1.459566   -2.008920    9.543435
Ag        1.459566   -2.008920    9.543435
Ag        1.463104    2.013789    7.008433
Ag       -1.463104    2.013789    7.008433
Ag       -2.367351   -0.769199    7.008433
Ag        0.000000   -2.489181    7.008433
Ag        2.367351   -0.769199    7.008433
Ag        0.000000    0.000000    5.566692
Ag        2.348134    0.762955    4.088972
Ag        0.000000    2.468975    4.088972
Ag       -2.348134    0.762955    4.088972
Ag       -1.451227   -1.997442    4.088972
Ag        1.451227   -1.997442    4.088972
Ag        0.000000    0.000000    0.000000
Ag       -2.354708   -0.765091    1.482599
Ag        0.000000   -2.475887    1.482599
Ag        2.354708   -0.765091    1.482599
Ag        1.455290    2.003035    1.482599
Ag       -1.455290    2.003035    1.482599
Pt        0.000000    0.000000   -8.294707
Ag        0.000000    0.000000  -11.112990
Ag       -2.361627   -0.767339   -9.543435
Ag        0.000000   -2.483162   -9.543435
Ag        2.361627   -0.767339   -9.543435
Ag        1.459566    2.008920   -9.543435
Ag       -1.459566    2.008920   -9.543435
Ag       -1.463104   -2.013789   -7.008433
Ag        1.463104   -2.013789   -7.008433
Ag        2.367351    0.769199   -7.008433
Ag        0.000000    2.489181   -7.008433
Ag       -2.367351    0.769199   -7.008433
Pt        0.000000    0.000000   -2.768806
Ag        2.354708    0.765091   -1.482599
Ag        0.000000    2.475887   -1.482599
Ag       -2.354708    0.765091   -1.482599
Ag       -1.455290   -2.003035   -1.482599
Ag        1.455290   -2.003035   -1.482599
Ag        0.000000    0.000000   -5.566692
Ag       -2.348134   -0.762955   -4.088972
Ag        0.000000   -2.468975   -4.088972
Ag        2.348134   -0.762955   -4.088972
Ag        1.451227    1.997442   -4.088972
Ag       -1.451227    1.997442   -4.088972
43
Pt4_Ag39_11_D3h
Pt        0.000000    0.000000    2.253354
Ag       -1.733772    0.000000    0.000000
Ag       -2.704040    0.000000    2.790056
Ag       -1.353561   -2.344436    1.698059
Ag        0.866886   -1.501490    0.000000
Ag        0.866886    1.501490    0.000000
Ag       -1.353561    2.344436    1.698059
Ag        1.745195    0.000000    4.488056
Ag        2.707121    0.000000    1.698059
Ag        1.352020    2.341768    2.790056
Ag       -0.872597    1.511383    4.488056
Ag       -0.872597   -1.511383    4.488056
Ag        1.352020   -2.341768    2.790056
Pt        0.000000    0.000000   -2.253354
Ag       -0.872597    1.511383   -4.488056
Ag       -0.872597   -1.511383   -4.488056
Ag        1.745195    0.000000   -4.488056
Ag       -1.353561   -2.344436   -1.698059
Ag       -1.353561    2.344436   -1.698059
Ag        1.352020   -2.341768   -2.790056
Ag        1.352020    2.341768   -2.790056
Ag       -2.704040    0.000000   -2.790056
Ag        2.707121    0.000000   -1.698059
Pt        0.000000    0.000000   -6.707882
Ag       -1.700737    0.000000   -8.907106
Ag        0.850369    1.472882   -8.907106
Ag        0.850369   -1.472882   -8.907106
Ag       -2.711140    0.000000   -6.171591
Ag        1.355570   -2.347916   -6.171591
Ag       -1.364143    2.362765   -7.241730
Ag        2.728286    0.000000   -7.241730
Ag        1.355570    2.347916   -6.171591
Ag       -1.364143   -2.362765   -7.241730
Pt        0.000000    0.000000    6.707882
Ag       -2.711140    0.000000    6.171591
Ag        2.728286    0.000000    7.241730
Ag       -1.700737    0.000000    8.907106
Ag       -1.364143   -2.362765    7.241730
Ag       -1.364143    2.362765    7.241730
Ag        1.355570    2.347916    6.171591
Ag        1.355570   -2.347916    6.171591
Ag        0.850369   -1.472882    8.907106
Ag        0.850369    1.472882    8.907106
31
Pt4_Ag27_5_D5h
Pt        0.000000    0.000000    1.323171
Ag       -1.972441    1.433062    2.713286
Ag        2.002119   -1.454625    0.000000
Ag        2.002119    1.454625    0.000000
Ag       -1.972441   -1.433062    2.713286
Ag       -0.764741    2.353632    0.000000
Ag        0.753406   -2.318744    2.713286
Ag       -0.764741   -2.353632    0.000000
Ag        0.753406    2.318744    2.713286
Ag       -2.474755    0.000000    0.000000
Ag        2.438071    0.000000    2.713286
Pt        0.000000    0.000000   -1.323171
Pt        0.000000    0.000000    4.159762
Pt        0.000000    0.000000   -4.159762
Ag        0.000000    0.000000    6.921498
Ag       -1.972441    1.433062   -2.713286
Ag       -1.972441   -1.433062   -2.713286
Ag        0.753406   -2.318744   -2.713286
Ag        0.753406    2.318744   -2.713286
Ag        2.438071    0.000000   -2.713286
Ag        1.993415   -1.448300    5.299013
Ag        1.993415    1.448300    5.299013
Ag       -0.761417    2.343399    5.299013
Ag       -0.761417   -2.343399    5.299013
Ag       -2.463996    0.000000    5.299013
Ag        0.000000    0.000000   -6.921498
Ag        1.993415    1.448300   -5.299013
Ag        1.993415   -1.448300   -5.299013
Ag       -0.761417    2.343399   -5.299013
Ag       -2.463996    0.000000   -5.299013
Ag       -0.761417   -2.343399   -5.299013
49
Pt4_Ag45_13_Cs
Pt       -0.449262   -5.326098    0.000000
Ag       -0.987581   -8.098163    0.000000
Ag        0.164664   -2.543213    0.000000
Ag       -0.766979   -1.185111    2.394394
Ag       -2.474816   -1.239007    0.000000
Ag       -0.766979   -1.185111   -2.394394
Ag       -2.259618    1.279671   -1.498957
Pt       -0.170006    0.272852    0.000000
Ag       -0.505205    3.099691    0.000000
Ag        2.101455    1.845650    0.000000
Ag        1.908151   -0.703459   -1.534823
Ag        1.908151   -0.703459    1.534823
Ag       -2.259618    1.279671    1.498957
Ag        0.449183    1.685345    2.370404
Ag       -1.549536    3.581987    3.315951
Ag        1.234485    4.373375    3.200633
Ag        2.847027    2.081272    3.976775
Ag        2.358538    4.269132    5.906039
Pt        0.337460    2.544558    5.067078
Ag       -2.145478    3.038286    6.195109
Ag        0.276749    3.420350    7.745103
Ag        2.236461    1.467315    6.772169
Ag       -0.532511    0.719323    6.976706
Ag        1.007720   -0.110120    4.547383
Ag       -1.710766    0.839675    4.314718
Ag       -0.346275    5.211319    5.522282
Ag        0.449183    1.685345   -2.370404
Ag       -1.710766    0.839675   -4.314718
Ag        1.007720   -0.110120   -4.547383
Ag        2.847027    2.081272   -3.976775
Ag        2.236461    1.467315   -6.772169
Pt        0.337460    2.544558   -5.067078
Ag       -2.145478    3.038286   -6.195109
Ag        0.276749    3.420350   -7.745103
Ag        2.358538    4.269132   -5.906039
Ag       -0.346275    5.211319   -5.522282
Ag        1.234485    4.373375   -3.200633
Ag       -1.549536    3.581987   -3.315951
Ag       -0.532511    0.719323   -6.976706
Ag        0.525149   -4.196454    2.339222
Ag       -2.159942   -3.723178   -1.475623
Ag        2.225233   -4.612953    0.000000
Ag       -2.159942   -3.723178    1.475623
Ag        0.525149   -4.196454   -2.339222
Ag       -1.430106   -6.437467    2.358776
Ag        1.252258   -6.953305   -1.469827
Ag       -1.430106   -6.437467   -2.358776
Ag       -3.103344   -6.106683    0.000000
Ag        1.252258   -6.953305    1.469827
43
Pt4Ag39_11_Cs
Ag       -3.326903   -0.681810    0.000000
Ag       -2.262333    1.991365    0.000000
Ag       -1.997172    0.391632   -2.406195
Ag        0.215656    1.952697   -1.489060
Pt       -0.644354   -0.305606    0.000000
Ag        0.215656    1.952697    1.489060
Ag       -1.997172    0.391632    2.406195
Ag        2.148703    0.052913    0.000000
Ag        0.868994   -0.831200   -2.340430
Ag       -1.520578   -2.397918   -1.786480
Ag        0.866028   -2.573378    0.000000
Ag       -1.520578   -2.397918    1.786480
Ag        0.868994   -0.831200    2.340430
Pt       -1.002614   -1.339203    4.383946
Ag       -2.794659   -1.887569    6.435551
Ag       -0.428094   -0.237256    6.871009
Ag       -0.155780   -3.111539    6.352018
Ag        1.672057   -1.225916    5.107362
Ag       -3.672969   -1.535601    3.674211
Ag       -2.590407    0.752719    5.227961
Ag        0.588487   -3.455006    3.551062
Ag        0.233755    1.162333    4.288737
Ag       -2.144863   -3.872002    4.296925
Pt       -1.002614   -1.339203   -4.383946
Ag       -0.428094   -0.237256   -6.871009
Ag       -2.794659   -1.887569   -6.435551
Ag       -0.155780   -3.111539   -6.352018
Ag       -2.144863   -3.872002   -4.296925
Ag        1.672057   -1.225916   -5.107362
Ag       -3.672969   -1.535601   -3.674211
Ag        0.233755    1.162333   -4.288737
Ag       -2.590407    0.752719   -5.227961
Ag        0.588487   -3.455006   -3.551062
Pt        2.447665    2.830351    0.000000
Ag        2.862531    5.584671    0.000000
Ag        4.588686    3.715028    1.497941
Ag        4.588686    3.715028   -1.497941
Ag        1.848313    4.190437   -2.367297
Ag        1.848313    4.190437    2.367297
Ag        2.837118    1.475066   -2.449409
Ag        2.837118    1.475066    2.449409
Ag        4.721972    1.254002    0.000000
Ag        0.180128    4.449100    0.000000
31
Pt4Ag27_7_C3v
Pt        1.286075    2.227548    0.044782
Ag        2.847808    0.000000   -0.937928
Ag       -0.243481    4.292773    1.045291
Ag        0.749796    4.315325   -1.681790
Ag        1.749395    0.000000    1.791294
Ag        3.362283    2.807004   -1.681790
Ag       -0.874697    1.515020    1.791294
Ag        1.607483    2.784242    2.725515
Ag        0.922990    1.598665   -2.666487
Ag        3.839391    1.935526    1.045291
Ag       -1.423904    2.466274   -0.937928
Pt        0.000000    0.000000   -0.571515
Ag       -1.423904   -2.466274   -0.937928
Pt       -2.572151    0.000000    0.044782
Ag       -1.845979    0.000000   -2.666487
Ag        0.922990   -1.598665   -2.666487
Ag       -0.874697   -1.515020    1.791294
Pt        1.286075   -2.227548    0.044782
Ag        2.621311    4.540243    0.598041
Ag        2.621311   -4.540243    0.598041
Ag        0.749796   -4.315325   -1.681790
Ag        3.362283   -2.807004   -1.681790
Ag        1.607483   -2.784242    2.725515
Ag       -0.243481   -4.292773    1.045291
Ag        3.839391   -1.935526    1.045291
Ag       -5.242621    0.000000    0.598041
Ag       -3.595910    2.357247    1.045291
Ag       -3.595910   -2.357247    1.045291
Ag       -4.112079   -1.508320   -1.681790
Ag       -3.214966    0.000000    2.725515
Ag       -4.112079    1.508320   -1.681790
49
Au8Ag41_19_D2d
Ag        0.000000    0.000000    0.000000
Ag       -1.051824   -1.051824    2.935732
Ag        1.051824   -1.051824   -2.935732
Ag        1.051824    1.051824    2.935732
Ag       -1.051824    1.051824   -2.935732
Ag       -1.663796   -1.663796   -1.537685
Ag        1.663796   -1.663796    1.537685
Ag        1.663796    1.663796   -1.537685
Ag       -1.663796    1.663796    1.537685
Ag       -4.029589   -0.507688    3.535851
Ag       -4.029589    0.507688   -3.535851
Ag       -3.231814   -3.231814    2.782646
Ag        0.507688   -4.029589   -3.535851
Ag       -0.507688   -4.029589    3.535851
Ag        3.231814   -3.231814   -2.782646
Ag        4.029589    0.507688    3.535851
Ag        4.029589   -0.507688   -3.535851
Ag        3.231814    3.231814    2.782646
Ag       -0.507688    4.029589   -3.535851
Ag        0.507688    4.029589    3.535851
Ag        1.036304   -5.007462    1.100307
Ag        3.651042   -3.651042    0.065964
Ag        5.007462   -1.036304    1.100307
Ag        5.657098   -2.017898   -1.580154
Ag        2.017898   -5.657098   -1.580154
Ag        5.657098    2.017898    1.580154
Ag        3.651042    3.651042   -0.065964
Ag        1.036304    5.007462   -1.100307
Ag        2.017898    5.657098    1.580154
Ag        5.007462    1.036304   -1.100307
Ag       -1.036304    5.007462    1.100307
Ag       -5.007462    1.036304    1.100307
Ag       -5.657098    2.017898   -1.580154
Ag       -3.651042    3.651042    0.065964
Ag       -2.017898    5.657098   -1.580154
Ag       -3.231814    3.231814   -2.782646
Ag       -5.657098   -2.017898    1.580154
Ag       -3.651042   -3.651042   -0.065964
Ag       -1.036304   -5.007462   -1.100307
Ag       -2.017898   -5.657098    1.580154
Ag       -5.007462   -1.036304   -1.100307
Au        1.002227   -3.027628   -0.961361
Au        3.027628   -1.002227   -0.961361
Au        3.027628    1.002227    0.961361
Au        1.002227    3.027628    0.961361
Au       -1.002227    3.027628   -0.961361
Au       -3.027628    1.002227   -0.961361
Au       -3.027628   -1.002227    0.961361
Au       -1.002227   -3.027628    0.961361
287
Au8Ag47(Dppp)4(SCH3)33Cl2_1
Ag        0.000000    0.000000    0.000463
Ag        0.055298    1.356361    3.077475
Ag       -1.356452    0.055317   -3.076565
Ag       -0.055298   -1.356361    3.077475
Ag        1.356452   -0.055317   -3.076565
Ag        0.314968    2.457972   -1.503047
Ag       -2.457984    0.315115    1.504037
Ag       -0.314968   -2.457972   -1.503047
Ag        2.457984   -0.315115    1.504037
Ag        2.897995    1.586286    3.670816
Ag        2.395931    2.586240   -3.583266
Ag        0.422130    4.162602    3.245340
Ag       -1.586403    2.898104   -3.669746
Ag       -2.586208    2.395984    3.584255
Ag       -4.162879    0.422123   -3.244201
Ag       -2.897995   -1.586286    3.670816
Ag       -2.395931   -2.586240   -3.583266
Ag       -0.422130   -4.162602    3.245340
Ag        1.586403   -2.898104   -3.669746
Ag        2.586208   -2.395984    3.584255
Ag       -4.634197    5.878769   -0.155820
Ag       -3.917179    3.033973    0.928649
Ag       -5.062134    0.594752   -0.416146
Ag       -4.462454   -1.988916    1.096411
Ag       -5.878257   -4.634331    0.156789
Ag       -5.393252   -2.211178   -1.679366
Ag       -5.864079    0.812916    2.798904
Ag       -4.671814    3.301150   -1.902692
Ag       -3.300765   -4.671735    1.903762
Ag       -0.594528   -5.062157    0.417452
Ag        1.988982   -4.462599   -1.095205
Ag        4.634197   -5.878769   -0.155820
Ag        2.211306   -5.393432    1.680770
Ag       -0.812619   -5.863880   -2.797267
Ag       -3.033807   -3.917117   -0.927636
Ag        3.917179   -3.033973    0.928649
Ag        5.864079   -0.812916    2.798904
Ag        4.462454    1.988916    1.096411
Ag        5.878257    4.634331    0.156789
Ag        5.393252    2.211178   -1.679366
Ag        5.062134   -0.594752   -0.416146
Ag        4.671814   -3.301150   -1.902692
Ag        4.162879   -0.422123   -3.244201
Ag        3.300765    4.671735    1.903762
Ag        0.594528    5.062157    0.417452
Ag       -1.988982    4.462599   -1.095205
Ag       -2.211306    5.393432    1.680770
Ag        0.812619    5.863880   -2.797267
Ag        3.033807    3.917117   -0.927636
Ag       -8.049953    3.308604    0.470548
Ag       -8.596229   -1.264425    0.729140
Ag       -3.308338   -8.050343   -0.469389
Ag        1.263809   -8.596378   -0.727494
Ag        8.596229    1.264425    0.729140
Ag        8.049953   -3.308604    0.470548
Ag       -1.263809    8.596378   -0.727494
Ag        3.308338    8.050343   -0.469389
Au       -2.477653    1.677949   -1.115960
Au       -2.848100   -1.104303   -1.055313
Au       -1.677811   -2.477536    1.116899
Au        1.104441   -2.848190    1.056339
Au        2.477653   -1.677949   -1.115960
Au        2.848100    1.104303   -1.055313
Au        1.677811    2.477536    1.116899
Au       -1.104441    2.848190    1.056339
C       -11.318309    2.057497    1.212905
H       -10.990878    1.987799    3.350187
H       -12.395214    2.258931    1.291007
C       -10.787579    1.359722    2.469462
H        -9.692286    1.263115    2.396256
H       -11.029939   -0.424612    3.667934
C       -11.397559   -0.027283    2.711570
H       -11.155680    1.427440    0.325402
H       -12.493126    0.017513    2.775485
C        -2.060560  -11.317449   -1.218471
H        -1.429933  -11.157885   -0.330812
H        -2.262277  -12.394042   -1.299967
C        -1.363291  -10.782672   -2.473633
H        -1.267267   -9.687550   -2.397199
H        -1.991353  -10.983681   -3.354892
C         0.023938  -11.391233   -2.717666
H         0.421558  -11.019538   -3.672322
H        -0.020515  -12.486544   -2.786045
C        11.318309   -2.057497    1.212905
H        12.395214   -2.258931    1.291007
H        11.155680   -1.427440    0.325402
C        10.787579   -1.359722    2.469462
H         9.692286   -1.263115    2.396256
H        10.990878   -1.987799    3.350187
C        11.397559    0.027283    2.711570
H        12.493126   -0.017513    2.775485
H        11.029939    0.424612    3.667934
C         2.060560   11.317449   -1.218471
H         1.429933   11.157885   -0.330812
H         2.262277   12.394042   -1.299967
C         1.363291   10.782672   -2.473633
H         1.991353   10.983681   -3.354892
H         1.267267    9.687550   -2.397199
C        -0.023938   11.391233   -2.717666
H        -0.421558   11.019538   -3.672322
H         0.020515   12.486544   -2.786045
Cl        0.000000    0.000000    5.214689
Cl        0.000000    0.000000   -5.213646
P       -10.389753    3.631189    0.870755
P       -10.890509   -1.280697    1.426305
P        -3.633485  -10.389318   -0.872122
P         1.276694  -10.889321   -1.429660
P        10.389753   -3.631189    0.870755
P        10.890509    1.280697    1.426305
P         3.633485   10.389318   -0.872122
P        -1.276694   10.889321   -1.429660
S        -7.590950    0.864462   -0.395669
S        -7.551718   -3.150972   -0.790947
S        -4.756418   -6.560969    1.119832
S        -0.864663   -7.591051    0.398032
S         3.151085   -7.552373    0.792360
S         6.561059   -4.757180   -1.119031
S         7.590950   -0.864462   -0.395669
S         7.551718    3.150972   -0.790947
S         4.756418    6.560969    1.119832
S         0.864663    7.591051    0.398032
S        -3.151085    7.552373    0.792360
S        -6.561059    4.757180   -1.119031
S        -6.121904    3.159851    2.164513
S        -6.594734   -1.482881    2.344893
S        -3.159728   -6.122035   -2.163531
S         1.482902   -6.594934   -2.343186
S         6.121904   -3.159851    2.164513
S         6.594734    1.482881    2.344893
S         3.159728    6.122035   -2.163531
S        -1.482902    6.594934   -2.343186
S        -3.879119    0.518644    4.554142
S        -2.709668   -4.015095    4.278858
S         1.868918   -4.735394    4.112459
S         3.879119   -0.518644    4.554142
S         2.709668    4.015095    4.278858
S        -1.868918    4.735394    4.112459
S         4.735311    1.869410   -4.110772
S         4.015095   -2.709980   -4.277644
S        -0.518478   -3.879097   -4.552993
S        -4.735311   -1.869410   -4.110772
S        -4.015095    2.709980   -4.277644
S         0.518478    3.879097   -4.552993
H        11.896711    1.082284    0.438830
H        11.492076    2.441270    1.988060
H        11.224525   -4.198759   -0.132736
H        10.880001   -4.444896    1.932942
H        -4.448884  -10.876801   -1.934271
H        -4.200025  -11.226020    0.130352
H         1.076316  -11.898207   -0.445301
H         4.448884   10.876801   -1.934271
H         4.200025   11.226020    0.130352
H        -1.076316   11.898207   -0.445301
H        -2.436949   11.490689   -1.992305
H       -10.880001    4.444896    1.932942
H       -11.224525    4.198759   -0.132736
H       -11.492076   -2.441270    1.988060
H       -11.896711   -1.082284    0.438830
H         2.436949  -11.490689   -1.992305
C         7.306879   -5.755560   -2.474048
H         7.833910   -6.615111   -2.047062
H         6.525022   -6.103248   -3.154838
H         8.012608   -5.125542   -3.025203
C         5.754908    7.307198    2.474504
H         5.124968    8.013397    3.025170
H         6.102324    6.525653    3.155784
H         6.614632    7.833791    2.047420
C         8.535736    4.001746   -2.094058
H         9.207427    4.730865   -1.629164
H         9.122609    3.250846   -2.633261
H         7.868554    4.509757   -2.795760
C        -4.002679    8.537599    2.094063
H        -4.733670    9.206657    1.628335
H        -4.508550    7.870994    2.797856
H        -3.252456    9.127346    2.631060
C        -2.166856    5.626000    5.702446
H        -3.244136    5.729487    5.868429
H        -1.719775    5.053326    6.521102
H        -1.705973    6.617615    5.651441
C        -3.174097   -4.811986    5.878026
H        -4.238784   -4.647387    6.073353
H        -2.972980   -5.886287    5.817681
H        -2.577674   -4.369698    6.682314
C         4.811074   -3.176967   -5.876501
H         5.885540   -2.976393   -5.816911
H         4.645778   -4.241800   -6.070359
H         4.368781   -2.581369   -6.681421
C        -0.571760   -3.682329   -6.383925
H         0.260411   -4.239525   -6.826503
H        -1.522890   -4.074298   -6.758358
H        -0.481385   -2.618283   -6.624394
C         2.405440   -6.787729   -3.919078
H         3.450212   -7.019427   -3.689138
H         1.964945   -7.601514   -4.503976
H         2.350375   -5.851774   -4.484536
C        -5.626830   -2.168662   -5.699970
H        -5.056151   -1.719678   -6.518989
H        -5.727749   -3.246124   -5.866484
H        -6.619566   -1.710337   -5.647692
C        -4.811074    3.176967   -5.876501
H        -4.368781    2.581369   -6.681421
H        -5.885540    2.976393   -5.816911
H        -4.645778    4.241800   -6.070359
C         5.626830    2.168662   -5.699970
H         6.619566    1.710337   -5.647692
H         5.056151    1.719678   -6.518989
H         5.727749    3.246124   -5.866484
C         4.260427    6.115539   -3.634199
H         5.297625    6.197170   -3.293830
H         4.125090    5.177130   -4.181866
H         4.014463    6.965137   -4.278894
C         8.056315   -0.828678   -2.174118
H         9.139884   -0.957014   -2.272695
H         7.540692   -1.639937   -2.698733
H         7.757780    0.131176   -2.608609
C        -2.405440    6.787729   -3.919078
H        -2.350375    5.851774   -4.484536
H        -3.450212    7.019427   -3.689138
H        -1.964945    7.601514   -4.503976
C         3.682253   -0.572403    6.385003
H         2.618228   -0.481655    6.625421
H         4.073809   -1.523815    6.759137
H         4.239803    0.259391    6.827859
C         4.002679   -8.537599    2.094063
H         3.252456   -9.127346    2.631060
H         4.733670   -9.206657    1.628335
H         4.508550   -7.870994    2.797856
C         0.828163    8.055829    2.176637
H        -0.131394    7.755922    2.610845
H         1.639973    7.540971    2.701130
H         0.955092    9.139538    2.275603
C         3.174097    4.811986    5.878026
H         2.577674    4.369698    6.682314
H         4.238784    4.647387    6.073353
H         2.972980    5.886287    5.817681
C        -6.114694    4.261428    3.634460
H        -6.194242    5.298544    3.293343
H        -6.965264    4.017326    4.278578
H        -5.176953    4.124798    4.182948
C        -8.535736   -4.001746   -2.094058
H        -7.868554   -4.509757   -2.795760
H        -9.207427   -4.730865   -1.629164
H        -9.122609   -3.250846   -2.633261
C        -7.306879    5.755560   -2.474048
H        -6.525022    6.103248   -3.154838
H        -8.012608    5.125542   -3.025203
H        -7.833910    6.615111   -2.047062
C        -5.754908   -7.307198    2.474504
H        -6.614632   -7.833791    2.047420
H        -5.124968   -8.013397    3.025170
H        -6.102324   -6.525653    3.155784
C        -4.260427   -6.115539   -3.634199
H        -4.014463   -6.965137   -4.278894
H        -5.297625   -6.197170   -3.293830
H        -4.125090   -5.177130   -4.181866
C         2.166856   -5.626000    5.702446
H         1.719775   -5.053326    6.521102
H         1.705973   -6.617615    5.651441
H         3.244136   -5.729487    5.868429
C        -0.828163   -8.055829    2.176637
H        -1.639973   -7.540971    2.701130
H        -0.955092   -9.139538    2.275603
H         0.131394   -7.755922    2.610845
C         6.114694   -4.261428    3.634460
H         5.176953   -4.124798    4.182948
H         6.194242   -5.298544    3.293343
H         6.965264   -4.017326    4.278578
C        -3.682253    0.572403    6.385003
H        -4.073809    1.523815    6.759137
H        -4.239803   -0.259391    6.827859
H        -2.618228    0.481655    6.625421
C        -6.788124   -2.405090    3.920908
H        -7.601276   -1.963632    4.505944
H        -7.021060   -3.449616    3.691065
H        -5.851964   -2.351034    4.486114
C        -8.056315    0.828678   -2.174118
H        -7.757780   -0.131176   -2.608609
H        -9.139884    0.957014   -2.272695
H        -7.540692    1.639937   -2.698733
C         0.571760    3.682329   -6.383925
H         1.522890    4.074298   -6.758358
H         0.481385    2.618283   -6.624394
H        -0.260411    4.239525   -6.826503
C         6.788124    2.405090    3.920908
H         5.851964    2.351034    4.486114
H         7.601276    1.963632    4.505944
H         7.021060    3.449616    3.691065
194
Pt4Ag55(S2PH2)27_2-
Pt        2.708554   -0.261469   -0.167799
Pt        8.181573    0.136135   -0.326070
Ag       10.905994    0.686803   -0.335695
Ag        9.698562   -1.420079    1.352813
Ag        9.813905   -1.757455   -1.543679
Ag        9.293188    0.852408   -2.791633
Ag        8.890995    2.790177   -0.604376
Ag        9.218550    1.367672    1.976071
Ag        7.358764   -2.529634   -0.086858
Ag        7.146208   -1.076987   -2.590460
Ag        6.529129    1.740047   -1.960540
Ag        6.550310    2.019738    1.004797
Ag        7.005277   -0.558095    2.110711
Ag        5.430357   -0.373636   -0.342291
Ag        3.942508   -2.337425    1.229050
Ag        3.748887   -2.433590   -1.745695
Ag        3.780151    0.404367   -2.635619
Ag        3.916349    2.221683   -0.200244
Ag        4.046911    0.465886    2.160841
Ag        7.182427    0.991854   -4.948507
Ag        9.904954   -4.179568    0.689297
Ag        7.699570   -3.302624    2.772262
Ag        8.223864    4.427880    1.739625
Ag       11.382905    3.319518    1.105062
S        13.466253    2.525254    2.315090
S        13.354374    0.557358   -0.606349
S        11.509948    4.352890   -1.220565
S         8.211318    5.383559   -0.647192
S         9.307568    1.920102    4.418951
S        10.383984    4.967304    2.954184
S        11.579388   -2.856790    2.297317
S         9.076507   -2.500525    4.774162
S        11.563405   -2.971903   -2.798834
S        10.703279   -5.872321   -0.986015
S        10.923634    1.105129   -4.663720
S         8.410216   -0.551841   -6.538400
S         8.094128    3.333935   -4.796425
S         5.018610    3.412176   -3.122883
S         6.173521    3.689750    3.022063
S         4.575156    4.666181    0.063039
S         5.139548   -3.410645    3.202211
S         5.559081   -0.013550    4.202904
S         8.292747   -5.753792    2.133138
S         5.985042   -4.615549   -0.303712
S         5.702189   -2.821196   -3.661049
S         4.696153    0.318485   -4.994157
P        13.795086    0.784194    1.348451
P        10.174894    5.829164   -0.992884
P        10.472382    3.545660    4.426225
P        10.786923   -3.309075    4.128890
P        10.758145   -4.814952   -2.703291
P        10.275447   -0.462354   -5.761118
P         6.484002    4.357800   -4.150588
P         4.647247    4.662827    2.069728
P         4.989627   -1.929229    4.600472
P         7.125306   -6.073603    0.491396
P         4.911279   -1.703688   -5.159721
Ag        0.005683   -0.203601    0.022902
Ag        1.400224    1.773852   -1.578650
Ag        1.531312    1.809539    1.399404
Ag        1.547089   -1.005845    2.288506
Ag        1.380447   -2.723144   -0.114679
Ag        1.259714   -0.979960   -2.478312
H         3.446596    4.153524    2.636703
H         4.631607    6.004299    2.538693
H        10.266666    4.225949    5.657008
H        11.844989    3.192173    4.517969
H        11.810486   -3.020326    5.071510
H        10.746795   -4.727425    4.216179
H        13.214747   -0.284881    2.085119
H        15.176374    0.480293    1.495505
H         5.757152   -2.359896    5.712479
H         3.650621   -1.895399    5.087638
H        10.597792    6.760460   -0.004781
H        10.197771    6.652752   -2.150468
H        10.539453   -1.661558   -5.041896
H        11.188295   -0.595417   -6.843402
H         6.947384    5.466361   -3.388918
H         5.844984    5.039559   -5.225169
H         9.461669   -4.791738   -3.284166
H        11.447609   -5.622436   -3.648994
H         7.971921   -6.645355   -0.496885
H         3.641233   -2.250410   -5.482100
H         5.675543   -1.939881   -6.330482
H         6.263158   -7.157584    0.805439
S       -13.987943   -1.810730   -1.773191
S       -13.398077    0.647675    0.691464
S       -11.445593   -3.605923    1.630113
S        -8.712163   -5.626584    0.702283
S        -9.844720   -1.714688   -4.287806
S       -11.131429   -4.528561   -2.550622
S       -11.123789    3.466465   -2.573010
S        -8.818449    2.482296   -5.062110
S       -10.958024    4.035966    2.408497
S        -9.625601    6.571131    0.364524
S       -10.997595   -0.040294    4.670647
S        -8.349525    1.632514    6.302678
P       -14.002331    0.114900   -1.152108
P       -10.625705   -5.442340    1.262124
P       -11.194287   -3.179859   -4.088335
P       -10.341178    3.629225   -4.450870
P        -9.884766    5.724532    2.175066
P       -10.243418    1.587393    5.603350
H       -11.428848    3.447668   -5.347551
H       -10.057710    5.005734   -4.667541
H       -13.340424    0.923360   -2.115531
H       -15.339516    0.573178   -1.306481
H       -10.472034    6.713626    3.010988
H        -8.624189    5.569801    2.812113
H       -11.193188   -3.936461   -5.291821
H       -12.516715   -2.659649   -4.076262
H       -10.825370   -6.192135    2.452084
H       -11.502745   -6.124547    0.374685
H       -11.113989    1.857901    6.694913
H       -10.468471    2.731846    4.788894
Pt       -8.209393    0.182649    0.247411
Ag      -11.008618    0.185689    0.293810
Ag       -9.445917    1.797144   -1.592377
Ag       -9.427488    2.476107    1.240751
Ag       -9.412880   -0.002201    2.764541
Ag       -9.474525   -2.200835    0.797035
Ag       -9.479562   -1.067918   -1.906639
Ag       -6.874162    2.571593   -0.256606
Ag       -6.887407    1.394205    2.385139
Ag       -6.958597   -1.520613    2.068139
Ag       -6.966395   -2.129125   -0.834933
Ag       -6.919545    0.376444   -2.231701
Ag       -7.354267   -0.258782    4.923982
Ag       -9.161312    4.576092   -1.104024
Ag       -7.256907    3.133441   -3.155423
Ag       -8.861071   -4.282291   -1.421239
Ag      -11.874777   -2.684750   -0.759671
Pt       -2.706361   -0.193683    0.134977
Ag       -1.395895   -2.240686    1.531693
Ag       -1.517083   -2.271309   -1.360606
Ag       -1.477192    0.547765   -2.279222
Ag       -1.436592    2.290654    0.195545
Ag       -1.339098    0.491752    2.490062
Ag       -5.422420   -0.012288    0.235792
Ag       -3.880664    1.954395   -1.305720
Ag       -3.819159    1.763973    1.712024
Ag       -3.790678   -1.107206    2.710264
Ag       -4.015238   -2.614154    0.138942
Ag       -3.997028   -0.876517   -2.212152
S        -8.155500   -2.611679    5.328053
S        -5.737032   -3.484416    2.941156
S        -6.792785   -3.785448   -2.831905
S        -4.936334   -4.929977   -0.051051
S        -4.717255    2.938443   -3.567527
S        -5.491332   -0.464951   -4.257268
S        -7.359488    5.717716   -2.707705
S        -5.187419    4.465068   -0.178131
S        -5.211107    3.141546    3.283460
S        -4.797167    0.084950    5.013509
P        -6.419437   -3.501284    4.863032
P        -5.284437   -4.912038   -2.020629
P        -4.683230    1.328219   -4.804163
P        -6.088787    5.999142   -1.144474
P        -4.733871    2.097183    4.974307
H        -6.769860    6.818803   -0.203813
H        -5.061464    6.868531   -1.599077
H        -3.434389    2.513448    5.366884
H        -5.553689    2.618648    6.009627
H        -3.328325    1.132628   -5.196838
H        -5.324635    1.713835   -6.009439
H        -4.126408   -4.556808   -2.764443
H        -5.484098   -6.251968   -2.448295
H        -6.492075   -4.871702    5.236991
H        -5.351600   -3.054674    5.690347
S        -0.195988   -4.493052   -1.060462
S         2.926961   -4.779996   -2.723429
S         0.859834   -1.790799   -4.811996
S        -0.803835    1.326825   -4.581924
S         0.108701    4.026752    1.316720
S         0.313937    3.940831   -2.212222
S        -0.588715   -4.284180    2.654080
S        -2.567932   -2.334799    4.866367
S         1.276624   -1.545153    4.715431
S        -0.112989    1.692780    4.296987
P         0.940950   -4.949205   -2.725792
P        -0.562594   -0.493013   -5.422259
P         0.665521    4.871471   -0.467495
P        -1.950682   -4.109391    4.146229
P         0.316078    0.071470    5.440981
H         0.351931   -4.247513   -3.812362
H        -1.470856   -4.900174    5.228150
H         0.588320   -6.290168   -3.042314
H        -3.105528   -4.854116    3.778333
H        -1.818726   -1.163118   -5.427991
H         1.026579    0.563099    6.570818
H        -0.375484   -0.288468   -6.816269
H        -0.886671   -0.391363    6.037904
H         0.013649    6.132549   -0.506804
H         2.034083    5.241065   -0.339744
