################################################################################
#                                                                              #
#                                   SAINT                                      #
#    Surface and Interface Toolkit for the Materials Chemistry Community       #
#                           saint.chem.ucl.ac.uk                               #
#                          Energy = -406825. 3 eV                              #
#                                                                              #
################################################################################
data_surface_model

_audit_creation_method             'Generated using SAINT'

_cell_length_a         12.7275
_cell_length_b         12.7275
_cell_length_c         12.3689
_cell_angle_alpha      90.0000
_cell_angle_beta       90.0000
_cell_angle_gamma      90.0000
_cell_volume           2003.63
 
_symmetry_cell_setting               'triclinic'
_symmetry_space_group_name_H-M    'P1       '
_symmetry_Int_Tables_number        1

loop_
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
O        -0.00427926        0.00074009        0.55102463    1.0000
O        -0.00129132        0.33537254        0.54665341    1.0000
O        -0.00122111       -0.33255005        0.54739266    1.0000
O         0.33330611        0.00136929        0.54797686    1.0000
O         0.33266763        0.33493041        0.54689744    1.0000
O         0.33239319       -0.33233880        0.54737441    1.0000
O        -0.33465370        0.00114340        0.54749437    1.0000
O        -0.33445718        0.33472393        0.54703170    1.0000
O        -0.33452903       -0.33243365        0.54717933    1.0000
Mg        0.16880437        0.00276069        0.55107549    1.0000
Mg        0.16600601        0.33481986        0.54253592    1.0000
Mg        0.16591247       -0.33247474        0.54305063    1.0000
Mg        0.49900181        0.00131605        0.54319374    1.0000
Mg        0.49901596        0.33465452        0.54265376    1.0000
Mg        0.49895491       -0.33248509        0.54274095    1.0000
Mg       -0.16992675        0.00132330        0.54264784    1.0000
Mg       -0.16812018        0.33494035        0.54275933    1.0000
Mg       -0.16817653       -0.33262526        0.54279617    1.0000
Mg       -0.00101705        0.17108939        0.54331629    1.0000
Mg       -0.00104982       -0.49886605        0.54265347    1.0000
Mg       -0.00141622       -0.16750172        0.54231995    1.0000
Mg        0.33245220        0.16869040        0.54298735    1.0000
Mg        0.33250281       -0.49891430        0.54263418    1.0000
Mg        0.33255535       -0.16575907        0.54343779    1.0000
Mg       -0.33466769        0.16836309        0.54285380    1.0000
Mg       -0.33453033       -0.49891589        0.54260589    1.0000
Mg       -0.33475959       -0.16599939        0.54294167    1.0000
O         0.16582175        0.16949152        0.54361173    1.0000
O         0.16573406       -0.49873217        0.54707679    1.0000
O         0.16524025       -0.16561166        0.54861336    1.0000
O         0.49915727        0.16816076        0.54725814    1.0000
O         0.49906116       -0.49885871        0.54698938    1.0000
O         0.49907590       -0.16582756        0.54746659    1.0000
O        -0.16799646        0.16825765        0.54728860    1.0000
O        -0.16790908       -0.49876168        0.54713344    1.0000
O        -0.16803710       -0.16589005        0.54779116    1.0000
O        -0.00148327        0.16753760        0.37427600    1.0000
O        -0.00109708       -0.49866673        0.37340779    1.0000
O        -0.00121083       -0.16522153        0.37459761    1.0000
O         0.33276663        0.16785639        0.37353741    1.0000
O         0.33254499       -0.49880106        0.37326700    1.0000
O         0.33227650       -0.16554854        0.37431936    1.0000
O        -0.33434324        0.16769972        0.37365566    1.0000
O        -0.33426324       -0.49893888        0.37335279    1.0000
O        -0.33442234       -0.16560159        0.37381256    1.0000
O         0.16512393        0.00099420        0.37583623    1.0000
O         0.16560020        0.33508308        0.37311298    1.0000
O         0.16560829       -0.33202060        0.37397616    1.0000
O         0.49897679        0.00104017        0.37393597    1.0000
O         0.49913997        0.33439641        0.37336336    1.0000
O         0.49900322       -0.33239321        0.37342731    1.0000
O        -0.16758802        0.00102932        0.37429585    1.0000
O        -0.16770538        0.33453609        0.37348992    1.0000
O        -0.16770252       -0.33217706        0.37365869    1.0000
Mg        0.16565420        0.16750123        0.37425090    1.0000
Mg        0.16573716       -0.49880394        0.37347179    1.0000
Mg        0.16571891       -0.16472522        0.37523665    1.0000
Mg        0.49893269        0.16778580        0.37367238    1.0000
Mg        0.49916844       -0.49913454        0.37328884    1.0000
Mg        0.49884929       -0.16556310        0.37386616    1.0000
Mg       -0.16772373        0.16788721        0.37384077    1.0000
Mg       -0.16772712       -0.49891833        0.37341472    1.0000
Mg       -0.16793949       -0.16559968        0.37387532    1.0000
Mg       -0.00057437        0.00139699        0.37420664    1.0000
Mg       -0.00096956        0.33475724        0.37332734    1.0000
Mg       -0.00098692       -0.33242907        0.37349392    1.0000
Mg        0.33190185        0.00128207        0.37472308    1.0000
Mg        0.33234054        0.33446234        0.37329732    1.0000
Mg        0.33230459       -0.33224532        0.37369720    1.0000
Mg       -0.33469592        0.00109897        0.37361430    1.0000
Mg       -0.33433380        0.33440614        0.37333821    1.0000
Mg       -0.33444492       -0.33237241        0.37343653    1.0000
O         0.16552209        0.16746998        0.20066143    1.0000
O         0.16564814       -0.49863018        0.19983534    1.0000
O         0.16562007       -0.16543065        0.20088456    1.0000
O         0.49912265        0.16752217        0.19988730    1.0000
O        -0.49999494        0.49998624        0.19925472    1.0000
O         0.49889907       -0.16552313        0.20025808    1.0000
O        -0.16752187        0.16744793        0.20020030    1.0000
O        -0.16756508       -0.49884238        0.19975476    1.0000
O        -0.16757103       -0.16546600        0.20044023    1.0000
O        -0.00089357        0.00096689        0.20087465    1.0000
O        -0.00103298        0.33428502        0.19995172    1.0000
O        -0.00099410       -0.33191742        0.20030155    1.0000
O         0.33200961        0.00100087        0.20077796    1.0000
O         0.33235154        0.33433863        0.19975489    1.0000
O         0.33251724       -0.33228074        0.20008199    1.0000
O        -0.33426815        0.00098103        0.20032410    1.0000
O        -0.33396473        0.33398809        0.19981581    1.0000
O        -0.33434298       -0.33215190        0.19987992    1.0000
Mg        0.16565050        0.00100162        0.20565315    1.0000
Mg        0.16565668        0.33439481        0.20452364    1.0000
Mg        0.16571756       -0.33195454        0.20483614    1.0000
Mg        0.49874317        0.00103008        0.20484862    1.0000
Mg        0.49918947        0.33403825        0.20414337    1.0000
Mg        0.49909317       -0.33236707        0.20433401    1.0000
Mg       -0.16758157        0.00101571        0.20494196    1.0000
Mg       -0.16760099        0.33422284        0.20435351    1.0000
Mg       -0.16764693       -0.33210120        0.20447805    1.0000
Mg       -0.00095659        0.16759702        0.20486483    1.0000
Mg       -0.00092578       -0.49880218        0.20429517    1.0000
Mg       -0.00087326       -0.16544420        0.20504959    1.0000
Mg        0.33227989        0.16757764        0.20473376    1.0000
Mg        0.33250470       -0.49905905        0.20417703    1.0000
Mg        0.33221027       -0.16547114        0.20506431    1.0000
Mg       -0.33425072        0.16755434        0.20446026    1.0000
Mg       -0.33411944       -0.49919440        0.20411027    1.0000
Mg       -0.33441058       -0.16551451        0.20460672    1.0000
O         0.08333333        0.04166667        0.73477776    1.0000
H         0.07609775       -0.00655732        0.79501573    1.0000
H         0.03316021        0.01818641        0.67589744    1.0000
