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dingtoushangsi银虫 (小有名气)
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【求助】哪位大哥有SiO2 的结构参数 告诉小弟下 10222183@163.com
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新手算SiO2结构能带和态密度 哪位大哥有SiO2 的结构参数 告诉小弟下 10222183@163.com 谢谢谢谢 [search]SiO2结构[/search] [ Last edited by freshgirl on 2009-6-26 at 16:07 ] |
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zzgyb
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SiO2_cristobalite_high
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SiO2_cristobalite_high !BIOSYM archive 3 PBC=ON Materials Studio Generated CAR File !DATE Thu Sep 04 08:49:46 2008 PBC 7.1600 7.1600 7.1600 90.0000 90.0000 90.0000 (FD-3M) SI 0.000000000 0.000000000 0.000000000 XXXX 1 xx Si 0.000 O 0.895000000 0.895000000 0.895000000 XXXX 1 xx O 0.000 end end SiO2_cristobalite_low !BIOSYM archive 3 PBC=ON Materials Studio Generated CAR File !DATE Thu Sep 04 08:50:54 2008 PBC 4.9780 4.9780 6.9480 90.0000 90.0000 90.0000 (P41212) O 1.193525280 0.513928720 1.239801120 XXXX 1 xx O 0.000 SI 1.493599120 1.493599120 0.000000000 XXXX 1 xx Si 0.000 end end [ Last edited by zzgyb on 2008-9-4 at 08:47 ] |
3楼2008-09-04 08:46:05
zzgyb
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玻璃形态的SiO2
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!BIOSYM archive 3 PBC=ON Materials Studio Generated CAR File !DATE Thu Sep 04 08:47:13 2008 PBC 21.3949 21.3949 21.3949 90.0000 90.0000 90.0000 (P1) Si1 16.954270000 21.095320000 16.445770000 XXXX 1 xx Si 0.000 Si2 15.181690000 7.257440000 14.740830000 XXXX 1 xx Si 0.000 Si3 20.478290000 15.990300000 20.324280000 XXXX 1 xx Si 0.000 Si4 18.941540000 15.189160000 15.308820000 XXXX 1 xx Si 0.000 Si5 9.238280000 2.946980000 16.994170000 XXXX 1 xx Si 0.000 Si6 19.477250000 2.269010000 12.020790000 XXXX 1 xx Si 0.000 Si7 0.596480000 0.008450000 16.087350000 XXXX 1 xx Si 0.000 Si8 15.699360000 3.054320000 19.843960000 XXXX 1 xx Si 0.000 O1 9.579520000 20.422930000 14.477790000 XXXX 1 xx O 0.000 O2 15.084230000 6.165570000 8.873460000 XXXX 1 xx O 0.000 O3 13.279590000 13.199980000 5.203580000 XXXX 1 xx O 0.000 O4 8.759040000 3.401230000 9.324810000 XXXX 1 xx O 0.000 O5 18.255390000 19.039090000 10.847680000 XXXX 1 xx O 0.000 O6 2.149470000 20.456200000 19.286840000 XXXX 1 xx O 0.000 O7 3.907960000 5.462200000 14.663490000 XXXX 1 xx O 0.000 O8 9.269030000 8.329120000 7.332470000 XXXX 1 xx O 0.000 O9 19.771650000 17.847540000 12.595280000 XXXX 1 xx O 0.000 O10 18.043460000 14.572850000 7.368750000 XXXX 1 xx O 0.000 O11 9.773800000 1.990150000 0.531810000 XXXX 1 xx O 0.000 O12 13.011790000 10.505720000 19.032650000 XXXX 1 xx O 0.000 O13 16.369150000 0.112520000 1.107180000 XXXX 1 xx O 0.000 O14 20.699930000 2.066320000 10.946380000 XXXX 1 xx O 0.000 O15 0.661270000 0.113250000 10.234350000 XXXX 1 xx O 0.000 O16 2.585680000 13.368760000 5.759530000 XXXX 1 xx O 0.000 Si9 8.099110000 8.067060000 8.480940000 XXXX 1 xx Si 0.000 Si10 14.292030000 4.741860000 9.233690000 XXXX 1 xx Si 0.000 Si11 15.544730000 7.413880000 1.067050000 XXXX 1 xx Si 0.000 Si12 15.780950000 7.630210000 8.661000000 XXXX 1 xx Si 0.000 Si13 19.274450000 1.087630000 14.963780000 XXXX 1 xx Si 0.000 Si14 18.604890000 6.636580000 1.579510000 XXXX 1 xx Si 0.000 Si15 2.939540000 5.193870000 10.767720000 XXXX 1 xx Si 0.000 Si16 12.162620000 9.684100000 4.418540000 XXXX 1 xx Si 0.000 O17 15.013200000 2.381320000 18.508380000 XXXX 1 xx O 0.000 O18 19.996120000 4.753990000 4.662450000 XXXX 1 xx O 0.000 O19 10.855800000 18.364180000 8.928340000 XXXX 1 xx O 0.000 O20 20.283470000 4.806590000 16.858030000 XXXX 1 xx O 0.000 O21 16.387950000 8.625960000 4.992200000 XXXX 1 xx O 0.000 O22 19.924390000 3.642420000 18.888050000 XXXX 1 xx O 0.000 O23 21.163660000 2.800780000 13.723730000 XXXX 1 xx O 0.000 O24 19.167470000 2.558600000 15.714470000 XXXX 1 xx O 0.000 O25 3.199690000 3.791370000 10.123170000 XXXX 1 xx O 0.000 O26 11.775800000 11.239620000 4.572020000 XXXX 1 xx O 0.000 O27 11.492130000 2.410530000 5.032650000 XXXX 1 xx O 0.000 O28 10.621020000 12.940830000 0.730660000 XXXX 1 xx O 0.000 O29 13.758690000 9.380690000 4.691860000 XXXX 1 xx O 0.000 O30 9.312990000 2.456630000 3.097250000 XXXX 1 xx O 0.000 O31 17.891630000 0.247780000 15.295540000 XXXX 1 xx O 0.000 O32 0.462640000 18.010330000 14.110480000 XXXX 1 xx O 0.000 Si17 18.897410000 13.718740000 10.395460000 XXXX 1 xx Si 0.000 Si18 2.278490000 8.258110000 1.959090000 XXXX 1 xx Si 0.000 Si19 15.306620000 18.415890000 16.430490000 XXXX 1 xx Si 0.000 Si20 16.028240000 12.013480000 10.186380000 XXXX 1 xx Si 0.000 Si21 1.037150000 12.761390000 14.984550000 XXXX 1 xx Si 0.000 Si22 3.808030000 13.035150000 4.654660000 XXXX 1 xx Si 0.000 Si23 4.234860000 21.396940000 20.840610000 XXXX 1 xx Si 0.000 Si24 11.745210000 1.848160000 15.801700000 XXXX 1 xx Si 0.000 O33 4.154900000 15.399530000 15.403770000 XXXX 1 xx O 0.000 O34 15.750130000 10.754270000 3.616840000 XXXX 1 xx O 0.000 O35 21.039140000 6.957390000 5.429020000 XXXX 1 xx O 0.000 O36 3.360480000 17.253060000 12.269200000 XXXX 1 xx O 0.000 O37 18.422190000 6.855830000 5.326670000 XXXX 1 xx O 0.000 O38 18.530760000 17.798680000 3.218140000 XXXX 1 xx O 0.000 O39 5.856570000 20.294470000 2.713520000 XXXX 1 xx O 0.000 O40 0.785410000 20.740820000 1.586020000 XXXX 1 xx O 0.000 O41 1.484940000 5.338710000 11.400960000 XXXX 1 xx O 0.000 O42 15.911000000 16.582020000 12.957780000 XXXX 1 xx O 0.000 O43 0.314990000 0.140780000 6.330500000 XXXX 1 xx O 0.000 O44 15.643220000 5.765180000 15.511130000 XXXX 1 xx O 0.000 O45 20.723520000 6.214860000 10.330080000 XXXX 1 xx O 0.000 O46 8.915360000 15.536270000 13.347030000 XXXX 1 xx O 0.000 O47 6.523630000 2.127120000 8.610640000 XXXX 1 xx O 0.000 O48 10.992290000 5.649660000 15.653210000 XXXX 1 xx O 0.000 Si25 15.806800000 20.618130000 21.333120000 XXXX 1 xx Si 0.000 Si26 17.513880000 9.394020000 15.187050000 XXXX 1 xx Si 0.000 Si27 0.887680000 19.627720000 2.788290000 XXXX 1 xx Si 0.000 Si28 15.984460000 9.435840000 20.139570000 XXXX 1 xx Si 0.000 Si29 14.834380000 4.378940000 14.872170000 XXXX 1 xx Si 0.000 Si30 2.552120000 15.513620000 15.467610000 XXXX 1 xx Si 0.000 Si31 16.541610000 1.721370000 1.229070000 XXXX 1 xx Si 0.000 Si32 15.827990000 17.381400000 0.310550000 XXXX 1 xx Si 0.000 O49 15.172840000 11.966210000 1.348520000 XXXX 1 xx O 0.000 O50 9.446700000 8.814920000 14.767940000 XXXX 1 xx O 0.000 O51 12.439590000 9.359400000 0.216460000 XXXX 1 xx O 0.000 O52 1.089900000 4.909940000 18.518680000 XXXX 1 xx O 0.000 O53 13.587080000 6.150700000 19.952220000 XXXX 1 xx O 0.000 O54 0.033240000 16.238310000 19.078320000 XXXX 1 xx O 0.000 O55 6.784440000 16.802250000 6.719170000 XXXX 1 xx O 0.000 O56 17.389040000 10.037190000 20.617330000 XXXX 1 xx O 0.000 O57 6.602550000 14.979260000 14.274130000 XXXX 1 xx O 0.000 O58 4.696510000 1.074330000 3.790100000 XXXX 1 xx O 0.000 O59 9.509610000 19.770310000 10.618330000 XXXX 1 xx O 0.000 O60 0.694700000 0.301540000 17.684800000 XXXX 1 xx O 0.000 O61 8.840760000 13.133640000 20.145300000 XXXX 1 xx O 0.000 O62 12.143260000 17.892010000 17.485430000 XXXX 1 xx O 0.000 O63 2.137670000 17.129640000 16.057450000 XXXX 1 xx O 0.000 O64 15.377550000 11.403400000 8.824810000 XXXX 1 xx O 0.000 Si33 11.137900000 17.418160000 7.622820000 XXXX 1 xx Si 0.000 Si34 14.553990000 11.951830000 21.247430000 XXXX 1 xx Si 0.000 Si35 18.085870000 9.062220000 9.942380000 XXXX 1 xx Si 0.000 Si36 8.673380000 11.027080000 6.520240000 XXXX 1 xx Si 0.000 Si37 7.415620000 9.917020000 0.312370000 XXXX 1 xx Si 0.000 Si38 14.383450000 13.998400000 6.150350000 XXXX 1 xx Si 0.000 Si39 15.257550000 9.826920000 4.822790000 XXXX 1 xx Si 0.000 Si40 8.346860000 16.213000000 6.801470000 XXXX 1 xx Si 0.000 O65 13.240400000 3.244080000 3.593110000 XXXX 1 xx O 0.000 O66 16.302470000 9.032240000 18.603120000 XXXX 1 xx O 0.000 O67 3.767290000 11.481190000 4.325760000 XXXX 1 xx O 0.000 O68 8.715560000 15.143190000 5.671190000 XXXX 1 xx O 0.000 O69 2.597640000 14.746480000 11.909190000 XXXX 1 xx O 0.000 O70 20.367350000 10.571190000 7.737140000 XXXX 1 xx O 0.000 O71 2.057460000 15.318900000 17.629450000 XXXX 1 xx O 0.000 O72 19.657940000 18.340040000 18.186510000 XXXX 1 xx O 0.000 O73 18.283910000 5.854860000 9.708910000 XXXX 1 xx O 0.000 O74 15.847260000 13.435100000 6.413870000 XXXX 1 xx O 0.000 O75 8.679330000 18.038680000 20.291350000 XXXX 1 xx O 0.000 O76 19.035500000 13.695680000 14.725050000 XXXX 1 xx O 0.000 O77 18.712210000 15.131440000 9.666110000 XXXX 1 xx O 0.000 O78 18.148640000 15.289220000 2.999530000 XXXX 1 xx O 0.000 O79 14.677340000 15.471780000 5.393130000 XXXX 1 xx O 0.000 O80 14.500960000 10.031220000 13.657250000 XXXX 1 xx O 0.000 Si41 0.098900000 12.121260000 17.961600000 XXXX 1 xx Si 0.000 Si42 2.929650000 13.497330000 11.012950000 XXXX 1 xx Si 0.000 Si43 1.213460000 16.748460000 18.015800000 XXXX 1 xx Si 0.000 Si44 16.625320000 18.385610000 7.710260000 XXXX 1 xx Si 0.000 Si45 14.324350000 10.060360000 12.034180000 XXXX 1 xx Si 0.000 Si46 19.741310000 18.437520000 4.010910000 XXXX 1 xx Si 0.000 Si47 0.217180000 6.232110000 11.616020000 XXXX 1 xx Si 0.000 Si48 19.754840000 13.111140000 13.352610000 XXXX 1 xx Si 0.000 O81 9.589160000 11.031830000 16.191870000 XXXX 1 xx O 0.000 O82 17.568260000 12.787530000 10.259230000 XXXX 1 xx O 0.000 O83 6.586220000 5.256570000 5.973270000 XXXX 1 xx O 0.000 O84 15.108850000 14.749260000 14.504030000 XXXX 1 xx O 0.000 O85 1.318500000 2.377450000 9.164050000 XXXX 1 xx O 0.000 O86 17.500240000 15.762590000 14.935990000 XXXX 1 xx O 0.000 O87 3.672690000 11.992810000 1.583640000 XXXX 1 xx O 0.000 O88 14.525590000 16.685490000 0.840340000 XXXX 1 xx O 0.000 O89 4.868760000 7.591730000 13.229750000 XXXX 1 xx O 0.000 O90 6.095740000 4.371040000 3.455590000 XXXX 1 xx O 0.000 O91 13.594590000 13.901890000 12.485370000 XXXX 1 xx O 0.000 O92 11.473720000 13.132140000 7.955100000 XXXX 1 xx O 0.000 O93 19.288200000 13.871650000 11.985390000 XXXX 1 xx O 0.000 O94 14.000820000 19.277830000 16.596320000 XXXX 1 xx O 0.000 O95 18.544000000 9.408990000 13.995960000 XXXX 1 xx O 0.000 O96 2.069800000 17.889300000 18.773220000 XXXX 1 xx O 0.000 Si49 8.926230000 17.085100000 19.001330000 XXXX 1 xx Si 0.000 Si50 3.843190000 1.787280000 12.955900000 XXXX 1 xx Si 0.000 Si51 10.937900000 5.449850000 17.327420000 XXXX 1 xx Si 0.000 Si52 16.698410000 1.076330000 10.808550000 XXXX 1 xx Si 0.000 Si53 20.405200000 17.412180000 13.988440000 XXXX 1 xx Si 0.000 Si54 12.578890000 19.387850000 17.313850000 XXXX 1 xx Si 0.000 Si55 15.050010000 16.426250000 18.923930000 XXXX 1 xx Si 0.000 Si56 11.564300000 18.572860000 1.241980000 XXXX 1 xx Si 0.000 O97 2.977680000 18.688180000 14.322540000 XXXX 1 xx O 0.000 O98 6.378950000 16.998200000 16.075620000 XXXX 1 xx O 0.000 O99 18.163940000 1.674610000 11.136370000 XXXX 1 xx O 0.000 O100 9.905050000 6.937130000 4.992760000 XXXX 1 xx O 0.000 O101 17.172270000 3.542390000 19.341420000 XXXX 1 xx O 0.000 O102 7.034160000 7.006560000 7.865570000 XXXX 1 xx O 0.000 O103 20.477650000 6.259090000 7.794630000 XXXX 1 xx O 0.000 O104 0.097940000 17.311530000 16.946620000 XXXX 1 xx O 0.000 O105 19.129830000 20.169260000 19.908050000 XXXX 1 xx O 0.000 O106 13.186610000 6.115430000 11.228210000 XXXX 1 xx O 0.000 O107 13.025180000 10.895420000 7.679400000 XXXX 1 xx O 0.000 O108 1.639230000 13.265080000 10.064470000 XXXX 1 xx O 0.000 O109 15.872910000 16.838630000 20.220790000 XXXX 1 xx O 0.000 O110 9.969420000 18.591370000 1.067170000 XXXX 1 xx O 0.000 O111 1.035530000 12.430190000 2.497370000 XXXX 1 xx O 0.000 O112 6.885200000 9.873650000 20.220820000 XXXX 1 xx O 0.000 Si57 2.472450000 12.931660000 2.039020000 XXXX 1 xx Si 0.000 Si58 21.045290000 16.323790000 6.101700000 XXXX 1 xx Si 0.000 Si59 19.214230000 10.098260000 12.656190000 XXXX 1 xx Si 0.000 Si60 12.025970000 12.783570000 4.265360000 XXXX 1 xx Si 0.000 Si61 12.157470000 13.130240000 1.199390000 XXXX 1 xx Si 0.000 Si62 1.577780000 20.763770000 5.736710000 XXXX 1 xx Si 0.000 Si63 3.211650000 6.745950000 8.010690000 XXXX 1 xx Si 0.000 Si64 19.759990000 6.343170000 4.518110000 XXXX 1 xx Si 0.000 O113 3.102520000 9.509780000 5.651770000 XXXX 1 xx O 0.000 O114 17.479680000 11.032500000 1.491450000 XXXX 1 xx O 0.000 O115 8.576830000 11.067650000 0.431700000 XXXX 1 xx O 0.000 O116 6.854450000 2.223380000 20.391640000 XXXX 1 xx O 0.000 O117 6.651110000 0.275940000 18.389970000 XXXX 1 xx O 0.000 O118 17.953910000 2.285440000 1.739800000 XXXX 1 xx O 0.000 O119 9.210670000 6.678740000 2.444110000 XXXX 1 xx O 0.000 O120 2.537530000 16.568550000 0.812430000 XXXX 1 xx O 0.000 O121 15.204660000 10.538420000 6.263110000 XXXX 1 xx O 0.000 O122 19.022140000 0.064270000 6.601480000 XXXX 1 xx O 0.000 O123 15.801020000 19.038400000 0.325310000 XXXX 1 xx O 0.000 O124 7.561400000 6.687980000 17.172180000 XXXX 1 xx O 0.000 O125 18.198220000 5.956640000 12.288410000 XXXX 1 xx O 0.000 O126 12.375300000 12.935350000 2.718020000 XXXX 1 xx O 0.000 O127 2.031790000 16.056350000 13.986450000 XXXX 1 xx O 0.000 O128 16.789510000 20.928440000 20.124910000 XXXX 1 xx O 0.000 Si65 18.576230000 15.880480000 8.137590000 XXXX 1 xx Si 0.000 Si66 0.708260000 20.691370000 11.561940000 XXXX 1 xx Si 0.000 Si67 11.788580000 4.781110000 14.579350000 XXXX 1 xx Si 0.000 Si68 1.519780000 0.526160000 19.007350000 XXXX 1 xx Si 0.000 Si69 14.649820000 16.536790000 4.239710000 XXXX 1 xx Si 0.000 Si70 0.900220000 1.753790000 13.641670000 XXXX 1 xx Si 0.000 Si71 18.070420000 20.414440000 5.828540000 XXXX 1 xx Si 0.000 Si72 12.751110000 20.501570000 20.396580000 XXXX 1 xx Si 0.000 O129 18.311680000 9.641490000 11.406650000 XXXX 1 xx O 0.000 O130 5.350470000 2.424540000 18.379130000 XXXX 1 xx O 0.000 O131 17.462190000 17.052260000 8.093830000 XXXX 1 xx O 0.000 O132 2.272830000 20.104460000 11.722610000 XXXX 1 xx O 0.000 O133 0.802840000 7.751300000 11.630170000 XXXX 1 xx O 0.000 O134 4.630510000 19.460920000 12.538420000 XXXX 1 xx O 0.000 O135 7.263470000 19.089460000 0.879230000 XXXX 1 xx O 0.000 O136 9.701330000 17.154980000 6.860200000 XXXX 1 xx O 0.000 O137 20.547680000 17.667160000 10.060230000 XXXX 1 xx O 0.000 O138 5.485660000 13.255030000 4.560110000 XXXX 1 xx O 0.000 O139 16.613080000 20.901330000 11.025300000 XXXX 1 xx O 0.000 O140 17.512690000 19.296960000 6.754010000 XXXX 1 xx O 0.000 O141 2.103010000 18.712920000 2.305020000 XXXX 1 xx O 0.000 O142 14.359700000 8.531370000 11.534170000 XXXX 1 xx O 0.000 O143 20.184680000 12.769240000 18.619640000 XXXX 1 xx O 0.000 O144 0.128390000 19.075290000 19.899450000 XXXX 1 xx O 0.000 Si73 1.747280000 15.335930000 0.177770000 XXXX 1 xx Si 0.000 Si74 5.465300000 9.070030000 13.022170000 XXXX 1 xx Si 0.000 Si75 18.931200000 3.523000000 1.314080000 XXXX 1 xx Si 0.000 Si76 20.029040000 18.854150000 19.677060000 XXXX 1 xx Si 0.000 Si77 4.230310000 4.845150000 16.106630000 XXXX 1 xx Si 0.000 Si78 20.851650000 4.901490000 18.357270000 XXXX 1 xx Si 0.000 Si79 0.128650000 1.509060000 9.710370000 XXXX 1 xx Si 0.000 Si80 4.655330000 1.722690000 16.010200000 XXXX 1 xx Si 0.000 O145 19.620790000 9.847690000 0.727980000 XXXX 1 xx O 0.000 O146 2.133680000 14.951610000 20.064700000 XXXX 1 xx O 0.000 O147 1.159530000 1.904600000 1.461250000 XXXX 1 xx O 0.000 O148 9.453870000 1.021000000 5.305770000 XXXX 1 xx O 0.000 O149 17.090730000 13.020120000 2.938030000 XXXX 1 xx O 0.000 O150 8.381340000 4.485820000 16.205700000 XXXX 1 xx O 0.000 O151 14.252150000 20.901210000 20.895700000 XXXX 1 xx O 0.000 O152 13.390070000 7.715290000 17.820770000 XXXX 1 xx O 0.000 O153 15.441760000 14.914280000 18.479230000 XXXX 1 xx O 0.000 O154 11.710790000 0.589660000 14.790890000 XXXX 1 xx O 0.000 O155 21.297820000 13.018910000 13.854600000 XXXX 1 xx O 0.000 O156 20.481800000 0.236510000 15.584080000 XXXX 1 xx O 0.000 O157 0.389390000 10.562970000 21.373080000 XXXX 1 xx O 0.000 O158 2.902680000 0.295090000 5.580960000 XXXX 1 xx O 0.000 O159 10.660670000 6.666900000 11.301230000 XXXX 1 xx O 0.000 O160 6.514770000 4.648060000 8.496620000 XXXX 1 xx O 0.000 Si81 3.885260000 20.378850000 11.507430000 XXXX 1 xx Si 0.000 Si82 7.050490000 9.818800000 4.163830000 XXXX 1 xx Si 0.000 Si83 5.904210000 0.523940000 2.936060000 XXXX 1 xx Si 0.000 Si84 0.653980000 9.330650000 11.508700000 XXXX 1 xx Si 0.000 Si85 3.903030000 9.887300000 4.284300000 XXXX 1 xx Si 0.000 Si86 7.096120000 4.435460000 4.681990000 XXXX 1 xx Si 0.000 Si87 14.121320000 1.927230000 3.122960000 XXXX 1 xx Si 0.000 Si88 2.834670000 2.893020000 8.838460000 XXXX 1 xx Si 0.000 O161 2.967870000 6.696890000 19.601130000 XXXX 1 xx O 0.000 O162 18.269200000 9.342540000 6.484870000 XXXX 1 xx O 0.000 O163 11.077730000 4.367730000 10.358430000 XXXX 1 xx O 0.000 O164 0.311700000 8.378220000 7.624680000 XXXX 1 xx O 0.000 O165 3.114940000 2.815750000 5.243560000 XXXX 1 xx O 0.000 O166 15.223490000 13.069740000 20.294380000 XXXX 1 xx O 0.000 O167 10.561710000 1.759680000 16.817920000 XXXX 1 xx O 0.000 O168 20.257270000 2.348340000 6.092060000 XXXX 1 xx O 0.000 O169 7.804520000 19.830370000 12.697610000 XXXX 1 xx O 0.000 O170 19.527610000 6.750950000 2.933090000 XXXX 1 xx O 0.000 O171 12.704320000 20.070570000 18.780510000 XXXX 1 xx O 0.000 O172 16.702250000 7.539140000 7.285720000 XXXX 1 xx O 0.000 O173 0.276390000 12.308190000 4.925660000 XXXX 1 xx O 0.000 O174 4.828320000 3.030060000 12.638470000 XXXX 1 xx O 0.000 O175 14.296100000 4.112530000 10.794520000 XXXX 1 xx O 0.000 O176 1.768690000 6.328020000 7.153930000 XXXX 1 xx O 0.000 Si89 6.681400000 10.125010000 10.360580000 XXXX 1 xx Si 0.000 Si90 14.523300000 6.922010000 11.696590000 XXXX 1 xx Si 0.000 Si91 7.374560000 5.659780000 15.976430000 XXXX 1 xx Si 0.000 Si92 17.534450000 8.365720000 17.882680000 XXXX 1 xx Si 0.000 Si93 11.312600000 10.663770000 11.084750000 XXXX 1 xx Si 0.000 Si94 2.174530000 16.186300000 12.344010000 XXXX 1 xx Si 0.000 Si95 11.070940000 0.935270000 5.509200000 XXXX 1 xx Si 0.000 Si96 8.678470000 12.299010000 11.410100000 XXXX 1 xx Si 0.000 O177 7.433220000 8.522270000 3.228550000 XXXX 1 xx O 0.000 O178 4.429690000 10.820370000 7.420610000 XXXX 1 xx O 0.000 O179 8.714740000 7.800960000 12.490790000 XXXX 1 xx O 0.000 O180 6.796390000 14.750510000 9.860220000 XXXX 1 xx O 0.000 O181 6.858360000 8.995800000 13.879420000 XXXX 1 xx O 0.000 O182 15.069500000 18.297650000 7.152550000 XXXX 1 xx O 0.000 O183 14.146250000 17.940850000 4.861900000 XXXX 1 xx O 0.000 O184 5.588020000 13.199930000 8.052670000 XXXX 1 xx O 0.000 O185 19.311980000 15.902910000 16.688300000 XXXX 1 xx O 0.000 O186 18.098510000 9.233600000 16.670280000 XXXX 1 xx O 0.000 O187 17.115620000 6.982480000 17.309430000 XXXX 1 xx O 0.000 O188 4.207790000 13.992960000 10.113840000 XXXX 1 xx O 0.000 O189 16.820140000 8.202320000 9.749100000 XXXX 1 xx O 0.000 O190 14.633130000 3.990270000 20.563140000 XXXX 1 xx O 0.000 O191 2.276370000 2.199390000 12.993930000 XXXX 1 xx O 0.000 O192 11.823220000 19.325520000 13.748460000 XXXX 1 xx O 0.000 Si97 17.466720000 8.015950000 5.964730000 XXXX 1 xx Si 0.000 Si98 7.997730000 14.263900000 13.814320000 XXXX 1 xx Si 0.000 Si99 3.991110000 2.572280000 19.288820000 XXXX 1 xx Si 0.000 Si100 19.912740000 17.452830000 16.895410000 XXXX 1 xx Si 0.000 Si101 18.993280000 4.178880000 16.021360000 XXXX 1 xx Si 0.000 Si102 1.788680000 19.062830000 19.853100000 XXXX 1 xx Si 0.000 Si103 16.444620000 5.583520000 17.052460000 XXXX 1 xx Si 0.000 Si104 14.892920000 10.807640000 15.028560000 XXXX 1 xx Si 0.000 O193 13.915220000 10.356140000 16.475820000 XXXX 1 xx O 0.000 O194 0.823310000 8.868790000 1.728190000 XXXX 1 xx O 0.000 O195 18.603240000 1.427410000 19.565770000 XXXX 1 xx O 0.000 O196 7.423120000 0.270690000 14.361570000 XXXX 1 xx O 0.000 O197 4.079630000 3.216970000 16.223130000 XXXX 1 xx O 0.000 O198 15.905600000 6.449750000 11.031010000 XXXX 1 xx O 0.000 O199 10.798820000 17.220710000 12.524080000 XXXX 1 xx O 0.000 O200 12.829520000 10.630580000 11.672730000 XXXX 1 xx O 0.000 O201 15.111940000 5.551010000 17.944600000 XXXX 1 xx O 0.000 O202 11.796880000 7.017910000 1.552620000 XXXX 1 xx O 0.000 O203 20.042440000 15.922440000 14.368260000 XXXX 1 xx O 0.000 O204 4.595740000 20.798480000 19.385020000 XXXX 1 xx O 0.000 O205 16.453570000 10.609350000 15.218560000 XXXX 1 xx O 0.000 O206 13.189150000 1.795340000 16.530120000 XXXX 1 xx O 0.000 O207 2.788260000 5.182500000 4.724900000 XXXX 1 xx O 0.000 O208 16.511890000 8.144900000 14.894220000 XXXX 1 xx O 0.000 Si105 21.086630000 10.008880000 1.332670000 XXXX 1 xx Si 0.000 Si106 18.386320000 13.779100000 3.450880000 XXXX 1 xx Si 0.000 Si107 6.164160000 5.764210000 7.388360000 XXXX 1 xx Si 0.000 Si108 0.360590000 13.678510000 9.086500000 XXXX 1 xx Si 0.000 Si109 21.137760000 12.178530000 3.391970000 XXXX 1 xx Si 0.000 Si110 10.347330000 3.523960000 9.152460000 XXXX 1 xx Si 0.000 Si111 11.460940000 11.495840000 7.979230000 XXXX 1 xx Si 0.000 Si112 0.292810000 9.887480000 8.314980000 XXXX 1 xx Si 0.000 O209 11.644410000 15.941070000 8.005330000 XXXX 1 xx O 0.000 O210 0.576640000 13.286960000 7.527320000 XXXX 1 xx O 0.000 O211 10.574960000 9.208750000 11.163420000 XXXX 1 xx O 0.000 O212 20.304100000 17.251200000 4.973480000 XXXX 1 xx O 0.000 O213 7.827000000 3.213100000 1.187310000 XXXX 1 xx O 0.000 O214 8.524830000 13.182810000 17.567840000 XXXX 1 xx O 0.000 O215 6.502480000 13.574200000 19.045140000 XXXX 1 xx O 0.000 O216 8.246250000 15.547300000 19.085840000 XXXX 1 xx O 0.000 O217 1.937120000 10.065590000 12.109180000 XXXX 1 xx O 0.000 O218 14.871230000 6.006460000 0.724390000 XXXX 1 xx O 0.000 O219 15.783290000 8.230880000 21.162180000 XXXX 1 xx O 0.000 O220 15.353200000 1.246480000 6.840570000 XXXX 1 xx O 0.000 O221 13.643390000 14.372780000 7.520880000 XXXX 1 xx O 0.000 O222 0.227200000 14.828770000 5.690980000 XXXX 1 xx O 0.000 O223 20.762350000 9.729850000 12.317630000 XXXX 1 xx O 0.000 O224 18.178320000 13.712730000 5.009620000 XXXX 1 xx O 0.000 Si113 2.949890000 11.007550000 12.980570000 XXXX 1 xx Si 0.000 Si114 13.954940000 14.318400000 10.974660000 XXXX 1 xx Si 0.000 Si115 19.263360000 5.201090000 13.152130000 XXXX 1 xx Si 0.000 Si116 5.311460000 17.117610000 7.394840000 XXXX 1 xx Si 0.000 Si117 17.277330000 5.665660000 10.986700000 XXXX 1 xx Si 0.000 Si118 5.399470000 14.440300000 9.100220000 XXXX 1 xx Si 0.000 Si119 0.591350000 9.784650000 19.974530000 XXXX 1 xx Si 0.000 Si120 8.147180000 19.261460000 11.281220000 XXXX 1 xx Si 0.000 O225 7.327700000 9.295040000 9.155690000 XXXX 1 xx O 0.000 O226 11.821220000 19.124290000 11.203630000 XXXX 1 xx O 0.000 O227 1.292220000 13.055040000 18.476900000 XXXX 1 xx O 0.000 O228 5.753650000 11.121440000 9.533340000 XXXX 1 xx O 0.000 O229 19.147380000 19.690450000 4.789330000 XXXX 1 xx O 0.000 O230 15.350570000 17.509110000 17.790720000 XXXX 1 xx O 0.000 O231 7.326170000 11.310050000 7.357030000 XXXX 1 xx O 0.000 O232 3.285160000 8.326140000 7.910200000 XXXX 1 xx O 0.000 O233 4.248620000 10.131000000 13.270760000 XXXX 1 xx O 0.000 O234 16.138870000 16.695330000 3.626150000 XXXX 1 xx O 0.000 O235 20.285670000 13.262090000 9.679020000 XXXX 1 xx O 0.000 O236 4.142430000 1.337470000 14.509340000 XXXX 1 xx O 0.000 O237 1.802290000 14.114990000 15.409730000 XXXX 1 xx O 0.000 O238 3.384720000 5.521390000 17.312880000 XXXX 1 xx O 0.000 O239 10.140700000 4.479780000 1.455730000 XXXX 1 xx O 0.000 O240 14.671520000 1.202730000 4.434130000 XXXX 1 xx O 0.000 Si121 5.652930000 9.674340000 19.143740000 XXXX 1 xx Si 0.000 Si122 4.612360000 6.017790000 13.312260000 XXXX 1 xx Si 0.000 Si123 5.165920000 12.003480000 0.990320000 XXXX 1 xx Si 0.000 Si124 19.770610000 18.578540000 11.156750000 XXXX 1 xx Si 0.000 Si125 18.395980000 10.713260000 0.163080000 XXXX 1 xx Si 0.000 Si126 3.908320000 1.414350000 5.182470000 XXXX 1 xx Si 0.000 Si127 4.135440000 18.176360000 13.325950000 XXXX 1 xx Si 0.000 Si128 0.593980000 3.115340000 2.308550000 XXXX 1 xx Si 0.000 O241 20.896730000 18.881040000 3.054240000 XXXX 1 xx O 0.000 O242 20.878090000 19.723650000 11.407960000 XXXX 1 xx O 0.000 O243 5.057270000 12.524650000 20.893470000 XXXX 1 xx O 0.000 O244 4.533590000 1.605920000 20.608880000 XXXX 1 xx O 0.000 O245 3.268060000 12.260990000 12.003680000 XXXX 1 xx O 0.000 O246 0.829400000 3.965420000 5.827450000 XXXX 1 xx O 0.000 O247 18.977640000 4.993440000 14.688150000 XXXX 1 xx O 0.000 O248 9.186800000 15.598210000 10.810040000 XXXX 1 xx O 0.000 O249 2.111150000 6.819880000 2.659290000 XXXX 1 xx O 0.000 O250 0.577910000 0.367270000 12.743740000 XXXX 1 xx O 0.000 O251 15.414400000 17.265610000 15.346780000 XXXX 1 xx O 0.000 O252 15.066660000 3.264180000 15.997820000 XXXX 1 xx O 0.000 O253 0.671750000 0.722960000 20.475300000 XXXX 1 xx O 0.000 O254 18.927800000 12.137840000 20.790360000 XXXX 1 xx O 0.000 O255 13.130890000 0.794750000 2.515690000 XXXX 1 xx O 0.000 O256 1.940780000 19.456350000 6.644950000 XXXX 1 xx O 0.000 Si129 2.118300000 17.947680000 7.179580000 XXXX 1 xx Si 0.000 Si130 11.938250000 21.126810000 2.797210000 XXXX 1 xx Si 0.000 Si131 5.619710000 16.037070000 14.952610000 XXXX 1 xx Si 0.000 Si132 19.676960000 6.576080000 9.207280000 XXXX 1 xx Si 0.000 Si133 3.005700000 18.086300000 1.168610000 XXXX 1 xx Si 0.000 Si134 11.109770000 5.690470000 0.849570000 XXXX 1 xx Si 0.000 Si135 6.833600000 1.862030000 18.818230000 XXXX 1 xx Si 0.000 Si136 20.400780000 0.903290000 6.845730000 XXXX 1 xx Si 0.000 O257 3.147690000 9.227110000 2.993720000 XXXX 1 xx O 0.000 O258 3.442170000 4.050340000 19.365300000 XXXX 1 xx O 0.000 O259 10.240350000 4.061650000 17.549330000 XXXX 1 xx O 0.000 O260 2.764810000 3.836970000 7.509560000 XXXX 1 xx O 0.000 O261 8.425650000 17.707870000 11.683540000 XXXX 1 xx O 0.000 O262 2.625230000 1.703240000 18.875720000 XXXX 1 xx O 0.000 O263 0.086300000 2.760680000 3.820310000 XXXX 1 xx O 0.000 O264 4.076340000 0.522410000 11.988110000 XXXX 1 xx O 0.000 O265 19.307990000 7.088400000 0.198540000 XXXX 1 xx O 0.000 O266 15.524590000 10.938640000 11.314800000 XXXX 1 xx O 0.000 O267 15.027790000 13.235890000 10.475760000 XXXX 1 xx O 0.000 O268 10.432790000 6.546130000 18.352470000 XXXX 1 xx O 0.000 O269 14.796440000 6.728320000 13.312640000 XXXX 1 xx O 0.000 O270 19.280170000 11.646160000 12.996650000 XXXX 1 xx O 0.000 O271 1.102130000 16.596140000 11.217510000 XXXX 1 xx O 0.000 O272 11.566870000 0.163380000 20.701080000 XXXX 1 xx O 0.000 Si137 20.872180000 3.453760000 5.120310000 XXXX 1 xx Si 0.000 Si138 9.361170000 16.499240000 12.120280000 XXXX 1 xx Si 0.000 Si139 19.028830000 13.235160000 19.657560000 XXXX 1 xx Si 0.000 Si140 15.382620000 3.533870000 11.821310000 XXXX 1 xx Si 0.000 Si141 2.656890000 5.381860000 3.140440000 XXXX 1 xx Si 0.000 Si142 11.959170000 0.834140000 8.501960000 XXXX 1 xx Si 0.000 Si143 1.671770000 18.430080000 15.163790000 XXXX 1 xx Si 0.000 Si144 0.489320000 16.833130000 9.757900000 XXXX 1 xx Si 0.000 O273 3.833630000 5.564700000 11.996490000 XXXX 1 xx O 0.000 O274 3.104440000 6.222640000 9.518570000 XXXX 1 xx O 0.000 O275 4.463310000 19.980360000 10.061170000 XXXX 1 xx O 0.000 O276 5.638360000 18.408570000 8.201060000 XXXX 1 xx O 0.000 O277 15.672850000 18.412830000 11.230910000 XXXX 1 xx O 0.000 O278 16.422490000 19.246310000 9.014960000 XXXX 1 xx O 0.000 O279 15.386250000 2.245730000 2.218950000 XXXX 1 xx O 0.000 O280 6.974800000 19.540910000 10.175960000 XXXX 1 xx O 0.000 O281 1.230840000 19.912470000 15.835770000 XXXX 1 xx O 0.000 O282 18.066690000 10.188050000 8.857010000 XXXX 1 xx O 0.000 O283 0.425830000 9.789250000 9.941780000 XXXX 1 xx O 0.000 O284 18.405040000 4.990940000 1.564840000 XXXX 1 xx O 0.000 O285 15.217430000 3.944900000 13.404480000 XXXX 1 xx O 0.000 O286 17.617260000 4.501560000 16.843580000 XXXX 1 xx O 0.000 O287 2.152210000 11.766600000 14.223640000 XXXX 1 xx O 0.000 O288 1.025600000 17.061160000 6.401600000 XXXX 1 xx O 0.000 Si145 5.128130000 12.766170000 19.285690000 XXXX 1 xx Si 0.000 Si146 16.710030000 19.429980000 10.542470000 XXXX 1 xx Si 0.000 Si147 18.158240000 21.311430000 19.369720000 XXXX 1 xx Si 0.000 Si148 2.678960000 5.327870000 18.769380000 XXXX 1 xx Si 0.000 Si149 7.770350000 7.408070000 2.062240000 XXXX 1 xx Si 0.000 Si150 14.973670000 1.825550000 8.269920000 XXXX 1 xx Si 0.000 Si151 8.038360000 20.191980000 14.224550000 XXXX 1 xx Si 0.000 Si152 7.457570000 1.892410000 14.717890000 XXXX 1 xx Si 0.000 O289 6.008330000 19.355510000 17.400240000 XXXX 1 xx O 0.000 O290 11.553730000 3.269730000 15.071590000 XXXX 1 xx O 0.000 O291 16.684240000 4.200550000 11.257780000 XXXX 1 xx O 0.000 O292 14.199080000 20.352870000 5.940610000 XXXX 1 xx O 0.000 O293 5.812330000 5.260260000 16.095520000 XXXX 1 xx O 0.000 O294 6.223380000 1.971690000 15.728350000 XXXX 1 xx O 0.000 O295 18.566390000 7.989250000 19.082440000 XXXX 1 xx O 0.000 O296 6.735550000 3.635700000 10.908830000 XXXX 1 xx O 0.000 O297 6.639540000 6.332380000 1.875580000 XXXX 1 xx O 0.000 O298 1.180410000 20.266420000 4.243180000 XXXX 1 xx O 0.000 O299 20.903090000 8.608970000 20.113260000 XXXX 1 xx O 0.000 O300 0.310380000 10.706610000 18.704530000 XXXX 1 xx O 0.000 O301 10.712510000 13.330810000 16.257950000 XXXX 1 xx O 0.000 O302 12.023390000 17.055220000 1.363940000 XXXX 1 xx O 0.000 O303 14.206460000 8.182360000 1.778040000 XXXX 1 xx O 0.000 O304 6.093690000 10.649930000 0.983580000 XXXX 1 xx O 0.000 Si153 18.712920000 2.976950000 19.665370000 XXXX 1 xx Si 0.000 Si154 13.696030000 6.235560000 18.406370000 XXXX 1 xx Si 0.000 Si155 2.420350000 4.102210000 5.933190000 XXXX 1 xx Si 0.000 Si156 9.732810000 5.914460000 3.755940000 XXXX 1 xx Si 0.000 Si157 7.138280000 3.429410000 9.398100000 XXXX 1 xx Si 0.000 Si158 11.677220000 5.446100000 11.438290000 XXXX 1 xx Si 0.000 Si159 16.321710000 11.683590000 2.391800000 XXXX 1 xx Si 0.000 Si160 5.624980000 5.010400000 2.046090000 XXXX 1 xx Si 0.000 O305 16.408360000 19.597470000 16.189930000 XXXX 1 xx O 0.000 O306 5.288900000 11.232250000 18.729870000 XXXX 1 xx O 0.000 O307 2.105600000 14.013250000 0.933820000 XXXX 1 xx O 0.000 O308 7.757690000 10.985920000 11.094440000 XXXX 1 xx O 0.000 O309 19.186880000 3.808770000 12.392090000 XXXX 1 xx O 0.000 O310 12.173530000 19.548510000 2.350350000 XXXX 1 xx O 0.000 O311 19.418890000 1.256150000 13.322790000 XXXX 1 xx O 0.000 O312 11.503640000 20.901610000 9.279000000 XXXX 1 xx O 0.000 O313 2.549430000 18.801700000 21.220120000 XXXX 1 xx O 0.000 O314 20.820640000 10.796210000 2.672750000 XXXX 1 xx O 0.000 O315 14.800190000 8.909020000 8.296340000 XXXX 1 xx O 0.000 O316 3.061790000 8.005180000 0.544390000 XXXX 1 xx O 0.000 O317 8.112140000 9.990490000 5.377900000 XXXX 1 xx O 0.000 O318 11.602450000 0.637940000 6.956240000 XXXX 1 xx O 0.000 O319 11.071120000 2.063400000 9.029750000 XXXX 1 xx O 0.000 O320 12.408800000 4.572000000 5.875570000 XXXX 1 xx O 0.000 Si161 13.771100000 11.430240000 17.812320000 XXXX 1 xx Si 0.000 Si162 13.885690000 5.205110000 21.234610000 XXXX 1 xx Si 0.000 Si163 6.263230000 3.726810000 12.489360000 XXXX 1 xx Si 0.000 Si164 8.415780000 14.709780000 9.706870000 XXXX 1 xx Si 0.000 Si165 13.833200000 18.780530000 6.208370000 XXXX 1 xx Si 0.000 Si166 18.760980000 10.554430000 7.466660000 XXXX 1 xx Si 0.000 Si167 9.648500000 7.888810000 11.201730000 XXXX 1 xx Si 0.000 Si168 12.609950000 8.462280000 1.558330000 XXXX 1 xx Si 0.000 O321 5.790840000 21.141490000 8.321890000 XXXX 1 xx O 0.000 O322 5.161640000 17.237940000 13.984440000 XXXX 1 xx O 0.000 O323 12.836320000 14.171020000 15.162620000 XXXX 1 xx O 0.000 O324 8.811310000 13.199750000 10.064120000 XXXX 1 xx O 0.000 O325 10.681740000 4.441150000 7.801720000 XXXX 1 xx O 0.000 O326 17.766510000 21.195850000 17.761120000 XXXX 1 xx O 0.000 O327 19.285220000 8.124450000 9.452950000 XXXX 1 xx O 0.000 O328 18.923950000 3.342780000 21.165800000 XXXX 1 xx O 0.000 O329 11.418020000 6.745240000 6.943120000 XXXX 1 xx O 0.000 O330 0.337000000 12.030440000 16.335800000 XXXX 1 xx O 0.000 O331 6.018920000 5.238080000 13.023730000 XXXX 1 xx O 0.000 O332 8.514270000 15.349610000 8.213600000 XXXX 1 xx O 0.000 O333 20.339280000 6.118160000 19.291820000 XXXX 1 xx O 0.000 O334 14.899670000 3.484270000 8.425870000 XXXX 1 xx O 0.000 O335 8.106190000 2.489320000 18.054420000 XXXX 1 xx O 0.000 O336 5.893870000 9.286110000 11.472680000 XXXX 1 xx O 0.000 Si169 5.386320000 20.786040000 17.992500000 XXXX 1 xx Si 0.000 Si170 9.989640000 9.491010000 16.158750000 XXXX 1 xx Si 0.000 Si171 14.761720000 2.011620000 16.950470000 XXXX 1 xx Si 0.000 Si172 9.119990000 13.754530000 4.846820000 XXXX 1 xx Si 0.000 Si173 8.740870000 19.104910000 0.153340000 XXXX 1 xx Si 0.000 Si174 17.502930000 16.724450000 2.791890000 XXXX 1 xx Si 0.000 Si175 19.772460000 7.459750000 20.062280000 XXXX 1 xx Si 0.000 Si176 17.532450000 13.400810000 6.449450000 XXXX 1 xx Si 0.000 O337 1.214360000 1.161410000 15.151010000 XXXX 1 xx O 0.000 O338 13.025140000 12.248620000 0.151040000 XXXX 1 xx O 0.000 O339 12.206160000 19.269060000 21.301660000 XXXX 1 xx O 0.000 O340 5.979350000 12.990080000 2.025370000 XXXX 1 xx O 0.000 O341 15.221380000 12.147400000 18.083070000 XXXX 1 xx O 0.000 O342 9.067260000 8.773630000 17.239840000 XXXX 1 xx O 0.000 O343 5.486880000 9.543670000 4.510380000 XXXX 1 xx O 0.000 O344 11.517400000 4.949120000 12.998060000 XXXX 1 xx O 0.000 O345 8.559240000 7.645700000 19.460260000 XXXX 1 xx O 0.000 O346 19.752890000 17.429490000 20.495490000 XXXX 1 xx O 0.000 O347 17.561050000 13.247450000 19.034830000 XXXX 1 xx O 0.000 O348 4.117850000 5.355800000 2.462020000 XXXX 1 xx O 0.000 O349 12.741760000 14.606690000 0.965260000 XXXX 1 xx O 0.000 O350 7.082850000 11.343650000 3.601220000 XXXX 1 xx O 0.000 O351 7.813880000 8.493080000 0.834530000 XXXX 1 xx O 0.000 O352 4.577240000 6.174280000 7.353080000 XXXX 1 xx O 0.000 Si177 6.634870000 12.896780000 3.491270000 XXXX 1 xx Si 0.000 Si178 9.670900000 12.106680000 21.140200000 XXXX 1 xx Si 0.000 Si179 3.126440000 9.831540000 7.208070000 XXXX 1 xx Si 0.000 Si180 5.829180000 11.613070000 7.985420000 XXXX 1 xx Si 0.000 Si181 2.376750000 14.179030000 18.687660000 XXXX 1 xx Si 0.000 Si182 3.217620000 8.142830000 20.337450000 XXXX 1 xx Si 0.000 Si183 8.019070000 13.900760000 18.956840000 XXXX 1 xx Si 0.000 Si184 14.951650000 17.148300000 11.788670000 XXXX 1 xx Si 0.000 O353 14.963400000 10.539790000 20.594280000 XXXX 1 xx O 0.000 O354 8.816930000 2.309750000 15.475160000 XXXX 1 xx O 0.000 O355 8.845370000 12.451430000 5.759680000 XXXX 1 xx O 0.000 O356 3.835420000 13.527930000 18.798400000 XXXX 1 xx O 0.000 O357 11.461920000 11.071850000 9.550850000 XXXX 1 xx O 0.000 O358 6.494160000 8.882990000 18.101180000 XXXX 1 xx O 0.000 O359 19.675420000 18.042140000 15.394160000 XXXX 1 xx O 0.000 O360 20.686910000 5.860550000 12.820940000 XXXX 1 xx O 0.000 O361 8.387930000 5.125010000 4.107350000 XXXX 1 xx O 0.000 O362 8.004600000 13.773010000 3.702260000 XXXX 1 xx O 0.000 O363 15.667240000 0.742430000 16.627220000 XXXX 1 xx O 0.000 O364 20.638870000 1.213220000 8.407850000 XXXX 1 xx O 0.000 O365 12.356860000 18.170830000 6.841430000 XXXX 1 xx O 0.000 O366 11.608620000 20.084930000 16.245260000 XXXX 1 xx O 0.000 O367 10.713220000 11.126240000 20.412090000 XXXX 1 xx O 0.000 O368 11.630560000 9.153470000 16.336650000 XXXX 1 xx O 0.000 Si185 9.302660000 12.638980000 16.268060000 XXXX 1 xx Si 0.000 Si186 14.566540000 10.446000000 7.792170000 XXXX 1 xx Si 0.000 Si187 7.854270000 7.997100000 18.008900000 XXXX 1 xx Si 0.000 Si188 10.246270000 0.428090000 0.311210000 XXXX 1 xx Si 0.000 Si189 10.142760000 7.352780000 19.701270000 XXXX 1 xx Si 0.000 Si190 13.949370000 13.735750000 14.104600000 XXXX 1 xx Si 0.000 Si191 13.108460000 8.789380000 16.610550000 XXXX 1 xx Si 0.000 Si192 7.080530000 18.333650000 16.669130000 XXXX 1 xx Si 0.000 O369 12.696770000 14.284230000 9.913010000 XXXX 1 xx O 0.000 O370 10.680150000 13.652590000 4.517000000 XXXX 1 xx O 0.000 O371 3.994520000 1.787820000 8.548570000 XXXX 1 xx O 0.000 O372 5.162540000 20.571430000 0.425450000 XXXX 1 xx O 0.000 O373 1.516920000 17.665720000 8.692810000 XXXX 1 xx O 0.000 O374 1.736940000 10.394290000 7.736930000 XXXX 1 xx O 0.000 O375 19.873700000 13.156200000 3.133530000 XXXX 1 xx O 0.000 O376 12.947000000 5.009320000 8.415400000 XXXX 1 xx O 0.000 O377 13.983660000 8.059610000 15.479120000 XXXX 1 xx O 0.000 O378 5.081910000 1.407170000 6.347740000 XXXX 1 xx O 0.000 O379 7.596550000 19.126670000 15.345810000 XXXX 1 xx O 0.000 O380 19.903240000 16.267690000 7.293360000 XXXX 1 xx O 0.000 O381 3.700050000 17.472020000 6.928060000 XXXX 1 xx O 0.000 O382 10.171730000 11.732810000 11.658550000 XXXX 1 xx O 0.000 O383 16.169880000 2.109870000 21.073280000 XXXX 1 xx O 0.000 O384 10.419490000 6.358530000 20.931520000 XXXX 1 xx O 0.000 Si193 11.153430000 20.452440000 14.727900000 XXXX 1 xx Si 0.000 Si194 12.033420000 16.550000000 18.365990000 XXXX 1 xx Si 0.000 Si195 5.788750000 19.443910000 1.328240000 XXXX 1 xx Si 0.000 Si196 15.902020000 13.422570000 18.867910000 XXXX 1 xx Si 0.000 Si197 1.306550000 0.533620000 0.614260000 XXXX 1 xx Si 0.000 Si198 0.249020000 6.965490000 6.921890000 XXXX 1 xx Si 0.000 Si199 12.188430000 13.901600000 16.657980000 XXXX 1 xx Si 0.000 Si200 10.402670000 7.815190000 6.262210000 XXXX 1 xx Si 0.000 O385 5.598340000 3.925930000 0.871060000 XXXX 1 xx O 0.000 O386 12.119020000 15.188710000 17.577150000 XXXX 1 xx O 0.000 O387 2.754380000 0.150830000 0.144730000 XXXX 1 xx O 0.000 O388 2.015540000 9.118300000 19.884730000 XXXX 1 xx O 0.000 O389 7.204910000 2.842300000 13.409080000 XXXX 1 xx O 0.000 O390 0.296300000 15.355810000 9.165810000 XXXX 1 xx O 0.000 O391 11.038640000 8.684500000 19.698370000 XXXX 1 xx O 0.000 O392 4.591610000 0.337510000 16.924030000 XXXX 1 xx O 0.000 O393 12.916140000 12.643530000 17.332610000 XXXX 1 xx O 0.000 O394 8.820550000 7.705880000 9.848530000 XXXX 1 xx O 0.000 O395 17.007400000 16.965350000 1.277680000 XXXX 1 xx O 0.000 O396 13.516040000 1.287070000 8.549890000 XXXX 1 xx O 0.000 O397 4.603350000 18.325870000 1.423940000 XXXX 1 xx O 0.000 O398 7.607630000 2.974450000 5.019730000 XXXX 1 xx O 0.000 O399 7.300270000 0.795840000 3.687560000 XXXX 1 xx O 0.000 O400 3.180750000 13.710690000 3.359770000 XXXX 1 xx O 0.000 Si201 6.449640000 2.542520000 0.564000000 XXXX 1 xx Si 0.000 Si202 9.379750000 3.088730000 1.616780000 XXXX 1 xx Si 0.000 Si203 12.238470000 14.462410000 8.381540000 XXXX 1 xx Si 0.000 Si204 11.885980000 5.269830000 7.206070000 XXXX 1 xx Si 0.000 Si205 12.027460000 3.815350000 4.495530000 XXXX 1 xx Si 0.000 Si206 15.209560000 0.244600000 5.615770000 XXXX 1 xx Si 0.000 Si207 11.944700000 9.985000000 20.218500000 XXXX 1 xx Si 0.000 Si208 13.223750000 16.001180000 1.490610000 XXXX 1 xx Si 0.000 O401 10.995890000 4.881400000 3.805400000 XXXX 1 xx O 0.000 O402 13.716880000 16.009930000 3.039390000 XXXX 1 xx O 0.000 O403 14.544880000 15.845550000 10.981560000 XXXX 1 xx O 0.000 O404 5.110920000 15.814720000 8.285120000 XXXX 1 xx O 0.000 O405 10.755650000 0.060670000 1.795140000 XXXX 1 xx O 0.000 O406 12.498400000 5.383120000 17.734850000 XXXX 1 xx O 0.000 O407 9.178360000 20.666620000 21.270390000 XXXX 1 xx O 0.000 O408 10.540380000 16.739300000 18.975000000 XXXX 1 xx O 0.000 O409 12.450380000 4.853720000 0.385540000 XXXX 1 xx O 0.000 O410 17.086420000 7.246700000 1.709410000 XXXX 1 xx O 0.000 O411 6.027150000 1.348600000 1.579120000 XXXX 1 xx O 0.000 O412 12.054340000 9.229720000 2.867360000 XXXX 1 xx O 0.000 O413 0.182670000 15.721260000 0.102360000 XXXX 1 xx O 0.000 O414 13.479650000 17.679890000 12.466060000 XXXX 1 xx O 0.000 O415 13.431390000 16.567970000 19.172590000 XXXX 1 xx O 0.000 O416 8.523790000 13.354970000 14.997580000 XXXX 1 xx O 0.000 Si209 5.749090000 19.733280000 9.126530000 XXXX 1 xx Si 0.000 Si210 0.946430000 13.379800000 5.960610000 XXXX 1 xx Si 0.000 Si211 12.035440000 18.270040000 12.522050000 XXXX 1 xx Si 0.000 Si212 8.431520000 1.785370000 4.307960000 XXXX 1 xx Si 0.000 Si213 16.058230000 16.111270000 14.448020000 XXXX 1 xx Si 0.000 Si214 10.935210000 19.544740000 9.965440000 XXXX 1 xx Si 0.000 Si215 8.227320000 8.098490000 13.969570000 XXXX 1 xx Si 0.000 Si216 5.349840000 1.229780000 7.937590000 XXXX 1 xx Si 0.000 O417 13.354610000 4.927640000 14.818650000 XXXX 1 xx O 0.000 O418 11.266340000 8.935150000 5.504300000 XXXX 1 xx O 0.000 O419 7.831380000 6.724110000 14.717060000 XXXX 1 xx O 0.000 O420 8.099100000 13.287960000 12.540980000 XXXX 1 xx O 0.000 O421 16.063900000 1.361580000 9.331240000 XXXX 1 xx O 0.000 O422 11.632690000 21.298970000 4.346930000 XXXX 1 xx O 0.000 O423 14.444320000 12.243010000 14.527980000 XXXX 1 xx O 0.000 O424 10.116030000 10.924290000 7.342240000 XXXX 1 xx O 0.000 O425 15.650710000 1.929930000 11.663460000 XXXX 1 xx O 0.000 O426 16.668710000 21.090890000 5.331910000 XXXX 1 xx O 0.000 O427 4.573470000 8.801910000 19.875230000 XXXX 1 xx O 0.000 O428 20.520920000 3.463350000 1.710740000 XXXX 1 xx O 0.000 O429 18.120180000 11.953480000 6.961650000 XXXX 1 xx O 0.000 O430 8.252740000 17.847490000 17.700350000 XXXX 1 xx O 0.000 O431 19.465590000 14.746730000 20.151840000 XXXX 1 xx O 0.000 O432 1.667750000 4.275450000 2.515670000 XXXX 1 xx O 0.000 end end |
2楼2008-09-04 08:44:22
4楼2008-09-04 08:48:53
zzgyb
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SiO2_quartz !BIOSYM archive 3 PBC=ON Materials Studio Generated CAR File !DATE Thu Sep 04 08:52:37 2008 PBC 4.9130 4.9130 5.4052 90.0000 90.0000 120.0000 (P3121) OX1 1.374657400 1.138579880 1.157253320 XXXX 1 xx O 0.000 SI1 2.309601300 0.000000000 1.801733333 XXXX 1 xx Si 0.000 end end SiO2_quartz_beta !BIOSYM archive 3 PBC=ON Materials Studio Generated CAR File !DATE Thu Sep 04 08:52:53 2008 PBC 5.0100 5.0100 5.4700 90.0000 90.0000 120.0000 (P6222) SI 1.252500000 2.169393636 1.823333333 XXXX 1 xx Si 0.000 O 1.480455000 -0.854741093 4.558333333 XXXX 1 xx O 0.000 end end SiO2_stishovite !BIOSYM archive 3 PBC=ON Materials Studio Generated CAR File !DATE Thu Sep 04 08:53:15 2008 PBC 4.1772 4.1772 2.6651 90.0000 90.0000 90.0000 (P42/MNM) SI1 0.000000000 0.000000000 0.000000000 XXXX 1 xx Si 0.000 O1 1.279058640 1.279058640 0.000000000 XXXX 1 xx O 0.000 end end [ Last edited by zzgyb on 2008-9-4 at 08:51 ] |
5楼2008-09-04 08:49:40