117 Hydroxylated silica slab; Cartesian coordinates in angstrom; fixed atoms are set in the tutorial. Si -0.158513887352 4.066851498771 5.863117764290 Si -2.583547083036 8.371878550313 5.790784798968 Si -5.065694709508 12.642687895044 5.832019559966 Si 4.921570105008 4.127521826159 5.794022502616 Si 2.387109554020 8.394973144601 5.759596823889 Si -0.111832398663 12.635434693244 5.795098933078 Si 9.745695795706 4.096245954753 5.793448862654 Si 7.291132627549 8.384172121674 5.785564629491 Si 4.825966891346 12.645778459002 5.778774273594 Si 13.469563029744 1.966625188761 3.951535716384 Si 11.009338109838 6.227824249921 3.969459403553 Si 8.557145802896 10.495628126178 3.951698150282 Si 3.607983126349 2.027415194382 4.014420581268 Si 1.160981219540 6.199059918232 4.013996395619 Si -1.319805622263 10.497718925889 3.971712944973 Si 8.550035427937 1.949695966191 3.966742181843 Si 6.087348102310 6.260174481447 3.947449468176 Si 3.606507939597 10.527852259031 3.945598754510 Si 1.176390933000 2.386868287000 2.158608034000 Si -1.293249628000 6.655038105000 2.155582378000 Si -3.757162518000 10.929867706000 2.158586414000 Si 6.111564063000 2.381482656000 2.156721262000 Si 3.641086954000 6.657277708000 2.156520892000 Si 1.177208916000 10.931175860000 2.158172883000 Si 11.044487946000 2.383202856000 2.158363966000 Si 8.577539333000 6.659353792000 2.156819925000 Si 6.112412375000 10.936180774000 2.160383506000 O -1.204448530778 5.026040017458 6.667132340714 O -3.683198039790 9.276954097723 6.590853744857 O 4.131848345114 5.241259790486 6.766022453622 O 1.367414447491 9.290257857235 6.659651443685 O 8.626374677657 4.994193833063 6.583550803830 O 6.172299184209 9.284533651293 6.571592076095 O 0.595163786224 4.788583972691 4.599628570030 O -1.955058563430 9.079323842031 4.456815714681 O 5.438085624544 4.852073508991 4.436073910083 O 2.929343818186 9.121813449610 4.402948960781 O 10.375476973207 4.813364143321 4.466885364665 O 7.910314317476 9.087532385822 4.449023143795 O 2.524828977781 2.736901156884 3.029747213180 O 0.038437243336 6.927150347784 3.083757797588 O -2.423593810086 11.274590074246 3.058436351801 O 7.472923330053 2.720205025481 3.018699501487 O 4.989180585742 7.027282973322 3.026173774739 O 2.525210841929 11.311432073601 3.017220367089 O 12.405903776879 2.735174129022 2.994879134627 O 9.907959361068 7.003702361140 3.056446763804 O 7.454704327757 11.279037619747 3.045711146161 O 0.039083993891 1.701469323508 3.126570241638 O -2.462492262669 5.964595803859 3.082630705497 O -4.919195509608 10.211672572518 3.064499459029 O 4.971396621984 1.747890700126 3.167838337473 O 2.503204186825 5.961861263523 3.124688340808 O 0.024846081489 10.234701620262 3.100225935823 O 9.910462466274 1.687541518287 3.121669529535 O 7.422784679202 5.960937718346 3.087071413535 O 4.957687448552 10.240806577857 3.096940894788 O -1.074464861082 2.854388107728 5.281308381459 O -3.437539903249 7.066931305565 5.318778174579 O -5.850493528865 11.323217132414 5.286714138206 O 3.900386135071 2.960548121854 5.328780159118 O 1.515306707657 7.093612741372 5.329026483558 O -0.962017525276 11.326466796788 5.324303265673 O 8.891397693753 2.794607924603 5.316846302158 O 6.435166684566 7.083019789321 5.305732571627 O 3.951250665054 11.351164141016 5.305444192483 O 0.899665203311 3.259349051812 6.816804777821 O -1.351943801212 7.791257666040 6.724102957684 O -3.837416868055 12.068311513746 6.769873885436 O 6.157925652633 3.460061666843 6.633919859012 O 3.714147564820 7.805141204271 6.561661449079 O 1.139844705770 12.065801267333 6.707611931145 O 10.967909319148 3.532827270086 6.743841614402 O 8.514965018785 7.813292647895 6.727928874759 O 6.065374827574 12.050700135260 6.684660102375 O 1.147679916103 0.618268059342 6.619112078711 O 2.981780430481 0.632106381790 4.565595064591 O 6.188584625038 0.705695516029 6.608431391796 O 7.898883955377 0.541562874510 4.459608513680 O 11.134929019029 0.726792803806 6.597933579685 O 12.832343328370 0.550811599903 4.442248269437 H -3.415874865000 9.938004640000 1.106310417000 H -4.253964768000 12.205337444000 1.585848868000 H 0.679888525000 12.207137685000 1.586172871000 H 1.516189089000 9.939212696000 1.105032674000 H 6.454184198000 9.949360063000 1.103876737000 H 5.613383818000 12.213403378000 1.593813749000 H -0.952067412000 5.662446843000 1.104348126000 H -1.789674908000 7.930217482000 1.582283612000 H 3.142998948000 7.932975151000 1.584467590000 H 3.982925835000 5.666003771000 1.103502794000 H 8.080889062000 7.935667871000 1.585216696000 H 8.920923151000 5.669227546000 1.103527155000 H 0.679597837000 3.663124102000 1.587946364000 H 1.515399009000 1.396525989000 1.104014378000 H 5.616043158000 3.656384662000 1.582048527000 H 6.454050564000 1.388961692000 1.105541823000 H 11.387740132000 1.391828343000 1.106047317000 H 10.546171750000 3.658042396000 1.585104635000 H 1.562692297061 3.600449837957 7.457508593134 H -1.142625348618 6.013901152347 6.728001753444 H -0.521766244813 8.312886446722 6.794121089749 H -3.615827788691 10.258477508330 6.715936281735 H -3.014586980449 12.607055337271 6.832573406184 H 1.137189869157 1.608534270638 6.752539531335 H 6.271026721066 1.686354337270 6.725625427996 H 1.967431981686 12.601298380009 6.743151958236 H 1.401362316072 10.280116126235 6.720021618176 H 4.524565359112 8.376174089311 6.615563426089 H 4.031643905430 6.227732255134 6.519269730589 H 6.982150102501 4.001201332010 6.724547254919 H 11.204186646886 1.707402403096 6.713794661050 H 6.915657442207 12.563849798269 6.721811066837 H 6.234139021700 10.271187992667 6.682208719021 H 9.352802688184 8.333042396121 6.762777900995 H 8.699092921682 5.971823325210 6.720874104220 H 11.797297003887 4.062245866925 6.792455233043 VEC1 14.8028240204 0.0 0.0 VEC2 -7.4014137172 12.8196206638 0.0 VEC3 0.0 0.0 35