Optical spectra LSDA+U ,O(s)=13eV, MC-H8, H=3.7% from job 765
1.0
14.53239810 0.70956831 -0.09175054
-0.70948984 14.53268419 0.01464200
0.09235541 -0.01015033 14.54970335
Si O H
57 150 8
Direct
0.06657377 0.11027909 0.00530244 # 1 Si1
0.23237692 0.09610629 0.38245829 # 2 Si2
0.06932061 0.19522522 0.20511423 # 3 Si3
0.24545170 0.07560730 0.89811118 # 4 Si6
0.11075154 0.23925588 0.59528051 # 5 Si7
0.26782119 0.22802827 0.74406876 # 6 Si8
0.28844860 0.37539849 0.33686861 # 7 Si10
0.05200836 0.58914905 0.15973219 # 8 Si11
0.25861898 0.55659304 0.22332421 # 9 Si12
0.12849325 0.43082096 0.49058615 # 10 Si13
0.24113356 0.38374555 0.89428770 # 11 Si14
0.10205695 0.61288811 0.61750706 # 12 Si15
0.07448067 0.74387886 0.00595837 # 13 Si17
0.25114418 0.74353468 0.34549645 # 14 Si18
0.09780828 0.92795631 0.10695714 # 15 Si19
0.26379301 0.93371087 0.23677518 # 16 Si20
0.06943204 0.77199534 0.46922512 # 17 Si21
0.22624107 0.70821351 0.85882564 # 18 Si22
0.03239785 0.92661237 0.62084426 # 19 Si23
0.21628702 0.91041925 0.76500220 # 20 Si24
0.43732174 0.05261948 0.98841915 # 21 Si25
0.45284462 0.23109773 0.13016045 # 22 Si27
0.63985690 0.25249578 0.24706551 # 23 Si28
0.36989859 0.03705064 0.51621557 # 24 Si29
0.45119486 0.19258722 0.62684048 # 25 Si31
0.60639553 0.24406715 0.76406423 # 26 Si32
0.41864736 0.41894663 0.01717591 # 27 Si33
0.59400281 0.42302811 0.37647586 # 28 Si34
0.54861470 0.60441392 0.24503693 # 29 Si36
0.43146357 0.35580780 0.49360420 # 30 Si37
0.57359261 0.42701632 0.86634286 # 31 Si38
0.58389671 0.59135824 0.73125828 # 32 Si40
0.40242046 0.71116883 0.00300375 # 33 Si41
0.43739883 0.88844700 0.12093445 # 34 Si43
0.60200792 0.88137620 0.25250170 # 35 Si44
0.43449971 0.76827358 0.45124389 # 36 Si45
0.56939653 0.75055775 0.87096073 # 37 Si46
0.53390567 0.92923987 0.74681696 # 38 Si48
0.74069048 0.12801507 0.98361102 # 39 Si49
0.93182290 0.07130173 0.41281839 # 40 Si50
0.75140402 0.32806434 0.08232592 # 41 Si
0.72240810 0.09756716 0.46930450 # 42 Si53
0.91410400 0.08971322 0.85295064 # 43 Si5
0.72545597 0.27556475 0.58748290 # 44 Si55
0.91165447 0.24254304 0.69605674 # 45 Si56
0.91934356 0.45242624 0.43995062 # 46 Si58
0.72816311 0.60096638 0.12398616 # 47 Si59
0.87719100 0.59712776 0.28182787 # 48 Si60
0.85931586 0.39374676 0.84939544 # 49 Si62
0.76103164 0.59259755 0.60696855 # 50 Si4
0.92456688 0.63939571 0.73769995 # 51 Si64
0.74288046 0.77777930 0.99233688 # 52 Si65
0.76074335 0.95343324 0.12678268 # 53 Si67
0.94050040 0.91383613 0.25996423 # 54 Si68
0.73586095 0.74914849 0.46943886 # 55 Si69
0.91625192 0.79977316 0.87722060 # 56 Si70
0.72249670 0.92414165 0.60328275 # 57 Si71
0.05208314 0.00655593 0.04305865 # 58 O1
0.20951210 0.18712813 0.31471534 # 59 O2
0.05161288 0.17830842 0.09533595 # 60 O3
0.31641305 0.32305145 0.22944090 # 61 O4
0.37079552 0.23417800 0.21660067 # 62 O5
0.17525346 0.15273007 0.22462146 # 63 O6
0.14827098 0.09402676 0.46351229 # 64 O7
0.94856003 0.05770467 0.52714714 # 65 O8
0.03159453 0.03604430 0.58195402 # 66 O9
0.27850701 0.14826499 0.82097301 # 67 O10
0.13601714 0.19287128 0.49137395 # 68 O11
0.25715566 0.32533696 0.79951483 # 69 O12
0.35597541 0.22371773 0.67608760 # 70 O13
0.17782881 0.21031475 0.67949761 # 71 O14
0.16937766 0.12129835 0.96519610 # 72 O15
0.99712819 0.12746709 0.91889823 # 73 O16
0.07198159 0.30285244 0.23414360 # 74 O17
0.29985418 0.47662771 0.28918562 # 75 O18
0.00616367 0.51605945 0.08464461 # 76 O19
0.27007065 0.65272715 0.28179800 # 77 O20
0.30429145 0.54064529 0.11519306 # 78 O21
0.14847899 0.55090257 0.20207584 # 79 O22
0.19828274 0.39964754 0.40551719 # 80 O23
0.03122143 0.45065806 0.43706653 # 81 O24
0.12575851 0.34543316 0.56297438 # 82 O25
0.31472192 0.47755880 0.56747957 # 83 O26
0.13887679 0.52181636 0.56057783 # 84 O27
0.21652228 0.63074707 0.76969917 # 85 O28
0.49447174 0.71354613 0.62313881 # 86 O29
0.18527109 0.67111468 0.67760997 # 87 O30
0.18467427 0.31212322 0.96587808 # 88 O31
0.87637358 0.33428694 0.94744609 # 89 O32
0.07025779 0.67809508 0.09547894 # 90 O33
0.25301472 0.82961093 0.27514585 # 91 O34
0.11858767 0.83956190 0.04246798 # 92 O35
0.23749829 0.00191863 0.32264944 # 93 O36
0.36634407 0.93932750 0.19159987 # 94 O37
0.19465387 0.95803657 0.15244069 # 95 O38
0.15125648 0.74838493 0.39747733 # 96 O39
0.98017581 0.81949157 0.41011357 # 97 O40
0.06198465 0.68247280 0.53733282 # 98 O41
0.23010375 0.80882016 0.80756867 # 99 O42
0.07290796 0.85704532 0.54263167 # 100 O43
0.20043382 0.98692251 0.84494764 # 101 O44
0.33439508 0.95333396 0.74699280 # 102 O45
0.12100277 0.92114023 0.69835585 # 103 O46
0.13291007 0.70183427 0.92073473 # 104 O47
0.97119560 0.76218229 0.96716320 # 105 O48
0.47479139 0.96410140 0.04590552 # 106 O49
0.69387808 0.16455387 0.30173397 # 107 O50
0.44900114 0.14394254 0.05652944 # 108 O51
0.59966111 0.32864998 0.31715727 # 109 O52
0.72830455 0.28794849 0.18668424 # 110 O53
0.55348592 0.22064572 0.18171949 # 111 O54
0.51872386 0.02008491 0.29174728 # 112 O55
0.33112856 0.10624076 0.43510374 # 113 O56
0.40717931 0.94828601 0.45115097 # 114 O57
0.67757679 0.17765360 0.82769114 # 115 O58
0.44799299 0.09201519 0.57625844 # 116 O59
0.55726000 0.32307665 0.82718145 # 117 O60
0.67182970 0.29170686 0.68478943 # 118 O61
0.52926827 0.18739723 0.70670718 # 119 O62
0.46296926 0.04374878 0.87357276 # 120 O63
0.32764710 0.04577340 0.96722964 # 121 O64
0.44742537 0.32301795 0.06729783 # 122 O65
0.57836933 0.50738570 0.30139724 # 123 O66
0.38313700 0.47476211 0.11330260 # 124 O67
0.51809192 0.65475076 0.34455285 # 125 O68
0.63742437 0.62981509 0.18310349 # 126 O69
0.45564046 0.63341346 0.17801558 # 127 O70
0.50840377 0.42155519 0.44774274 # 128 O71
0.36160507 0.33198009 0.40923261 # 129 O72
0.47536041 0.26661445 0.54485285 # 130 O73
0.54789533 0.49994940 0.78434858 # 131 O74
0.38240917 0.40476448 0.58567704 # 132 O75
0.61179878 0.67064226 0.80435273 # 133 O76
0.67303374 0.56581938 0.67010936 # 134 O77
0.48970292 0.62227741 0.66607421 # 135 O78
0.51211792 0.44873079 0.95817421 # 136 O79
0.33929661 0.41166407 0.93997300 # 137 O80
0.46573913 0.63785840 0.07351557 # 138 O81
0.66349311 0.79389430 0.29975545 # 139 O82
0.38668308 0.80526452 0.06261412 # 140 O83
0.55805241 0.93991332 0.34000661 # 141 O84
0.67317015 0.94499226 0.19458517 # 142 O85
0.52480215 0.84683260 0.17821944 # 143 O86
0.48518335 0.75129555 0.34765822 # 144 O87
0.32588528 0.75077993 0.43018114 # 145 O88
0.49450220 0.69750492 0.52232740 # 146 O89
0.54395699 0.83514473 0.80448754 # 147 O90
0.45173710 0.87091387 0.50041941 # 148 O91
0.54769455 0.01834748 0.82043211 # 149 O92
0.62852502 0.93138693 0.67487135 # 150 O93
0.42280160 0.91588061 0.69736424 # 151 O94
0.47767161 0.71322944 0.92072708 # 152 O95
0.30874507 0.69123128 0.93749869 # 153 O96
0.74523715 0.05121519 0.06839749 # 154 O97
0.99108735 0.15608081 0.36014715 # 155 O98
0.74135740 0.23322968 0.02339920 # 156 O99
0.87923455 0.34928495 0.42565032 # 157 O
0.98252126 0.13947297 0.25809922 # 158 O101
0.82444961 0.10213285 0.42438237 # 159 O103
0.64662935 0.12100350 0.38162191 # 160 O104
0.70386043 0.99942982 0.52042904 # 161 O105
0.90266132 0.14732800 0.75654579 # 162 O106
0.70112307 0.17330107 0.54845200 # 163 O107
0.90348361 0.32548917 0.77252556 # 164 O108
0.00649999 0.23611587 0.63737318 # 165 O109
0.83538067 0.26854893 0.61518262 # 166 O110
0.82370543 0.09932749 0.91646862 # 167 O111
0.64459671 0.13327318 0.91589793 # 168 O112
0.69068496 0.42562929 0.10720885 # 169 O113
0.87926285 0.51493626 0.35667006 # 170 O114
0.70823407 0.51113412 0.05428995 # 171 O115
0.81513417 0.68660495 0.32386493 # 172 O116
0.98147873 0.61475167 0.24427041 # 173 O117
0.81141655 0.57565798 0.19420408 # 174 O118
0.89955207 0.50096820 0.54359115 # 175 O119
0.68801658 0.42562232 0.44928227 # 176 O120
0.68718120 0.33004944 0.49114933 # 177 O121
0.88549866 0.57605365 0.82758093 # 178 O122
0.80394968 0.48927640 0.57730145 # 179 O123
0.94076445 0.74211206 0.78315601 # 180 O124
0.01690879 0.59592339 0.69103840 # 181 O125
0.84063287 0.64907153 0.66263441 # 182 O126
0.74826835 0.41147307 0.82126757 # 183 O127
0.68600031 0.43721443 0.89874051 # 184 O128
0.75591894 0.68418650 0.05404517 # 185 O129
0.96299652 0.80847172 0.31139721 # 186 O130
0.76331736 0.86803312 0.05462877 # 187 O131
0.94169358 0.98231187 0.34764864 # 188 O132
0.02688739 0.91006391 0.19082156 # 189 O133
0.85173581 0.94003878 0.19453664 # 190 O134
0.83640669 0.72663341 0.41459188 # 191 O135
0.65746768 0.79830512 0.40151208 # 192 O136
0.71825797 0.65040398 0.52059366 # 193 O137
0.95136742 0.91071561 0.88236306 # 194 O138
0.73516657 0.82354378 0.55411454 # 195 O139
0.92795129 0.98126627 0.81189615 # 196 O140
0.91617536 0.88952396 0.62435639 # 197 O141
0.82949193 0.94612355 0.65499944 # 198 O142
0.80839975 0.78239091 0.90125481 # 199 O143
0.63917416 0.78107278 0.95191797 # 200 O144
0.99876602 0.43257953 0.14168975 # 201 O145
0.17358204 0.36483723 0.05243360 # 202 O147
0.84188665 0.38062407 0.03171353 # 203 O148
0.36101346 0.55625009 0.53360911 # 204 O149
0.18582095 0.47905450 0.87811534 # 205 O150
0.28500735 0.00918914 0.58250306 # 206 O151
0.92917086 0.48591508 0.84105512 # 207 O152
0.21585757 0.33172375 0.09382698 # 208 H6
0.39509739 0.57807731 0.58880433 # 209 H15
0.12174951 0.47875627 0.85919842 # 210 H5
0.30567927 0.99869425 0.64673318 # 211 H7
0.03123279 0.32479424 0.28232121 # 212 H9
0.04935722 0.39536177 0.11548440 # 213 H19
0.55972648 0.06705830 0.31982631 # 214 H11
0.88651336 0.30686464 0.47699017 # 215 H8