LKU-21SHH-V2 Si69C60O87H166 quasi-shifts, GW0, metallic from job 844
1.0
17.35200000 0.00000000 0.00000000
0.00000000 17.35200000 0.00000000
0.00000000 0.00000000 17.35200000
Si C O H
69 60 87 166
Direct
0.03893093 0.08095541 0.99615891 # 1 Si1
0.26140785 0.07920358 0.38894796 # 2 Si2
0.97749612 0.26867282 0.04435041 # 3 Si3
0.31205170 0.23061426 0.30130253 # 4 Si4
0.09530611 0.10356905 0.52645900 # 5 Si5
0.28101980 0.10517773 0.78620551 # 6 Si6
0.09408678 0.26673121 0.62221386 # 7 Si7
0.26802478 0.27303179 0.70419317 # 8 Si8
0.01259498 0.44999421 0.99580336 # 9 Si9
0.25178912 0.40425213 0.36488481 # 10 Si10
0.06849962 0.59043672 0.13038622 # 11 Si11
0.24133177 0.53539623 0.22707207 # 12 Si12
0.08551221 0.36765323 0.46505101 # 13 Si13
0.29157881 0.40560761 0.84566544 # 14 Si14
0.33512689 0.58795966 0.80065438 # 15 Si16
0.07753934 0.76736800 0.00207682 # 16 Si17
0.25389128 0.80379275 0.40968577 # 17 Si18
0.09826710 0.92011573 0.12739472 # 18 Si19
0.23857173 0.93010788 0.27211867 # 19 Si20
0.08054506 0.84875420 0.46397014 # 20 Si21
0.25571147 0.76629119 0.86210082 # 21 Si22
0.09055434 0.94063539 0.62222787 # 22 Si23
0.26659864 0.93064533 0.71733649 # 23 Si24
0.40960631 0.10605098 0.90794168 # 24 Si25
0.58035563 0.08662929 0.38412485 # 25 Si26
0.41082864 0.28936715 0.17579093 # 26 Si27
0.56582790 0.22627383 0.25168075 # 27 Si28
0.42238565 0.08230030 0.49359635 # 28 Si29
0.58136352 0.11330057 0.84805243 # 29 Si30
0.43686446 0.24907794 0.58424623 # 30 Si31
0.57295734 0.24926121 0.72250167 # 31 Si32
0.41539961 0.38925203 0.02473743 # 32 Si33
0.58085221 0.41918232 0.32791009 # 33 Si34
0.39546802 0.55106415 0.12662966 # 34 Si35
0.56450087 0.57981619 0.22012725 # 35 Si36
0.44592204 0.39398594 0.46011384 # 36 Si37
0.44021520 0.65428501 0.64078953 # 37 Si39
0.58333175 0.66294190 0.74418885 # 38 Si40
0.41542655 0.80757105 0.95459358 # 39 Si41
0.60651452 0.76724090 0.37570125 # 40 Si42
0.41447315 0.95668564 0.20886395 # 41 Si43
0.58514387 0.92915234 0.27232052 # 42 Si44
0.42114712 0.79896347 0.50250473 # 43 Si45
0.59215471 0.81494174 0.84991906 # 44 Si46
0.42781457 0.94158714 0.61939553 # 45 Si47
0.56875019 0.96570718 0.74493968 # 46 Si48
0.72192307 0.06259386 0.97224736 # 47 Si49
0.93105990 0.07842608 0.43769089 # 48 Si50
0.81732103 0.18445694 0.08699831 # 49 Si51
0.89651404 0.17452672 0.27140163 # 50 Si52
0.75467386 0.10056177 0.52129270 # 51 Si53
0.90273842 0.00279899 0.90488985 # 52 Si54
0.76026467 0.21864102 0.66662044 # 53 Si55
0.92578196 0.28712708 0.71699258 # 54 Si56
0.76858887 0.46136557 0.98551764 # 55 Si57
0.99369213 0.31826425 0.32515648 # 56 Si58
0.70070203 0.60793415 0.08296071 # 57 Si59
0.98261970 0.59940365 0.30023529 # 58 Si60
0.88909832 0.47099210 0.84065251 # 59 Si62
0.71883120 0.70678292 0.64914863 # 60 Si63
0.86700674 0.65318788 0.75687763 # 61 Si64
0.72934090 0.78492548 0.97593502 # 62 Si65
0.93350524 0.75739565 0.39609852 # 63 Si66
0.69581527 0.94247046 0.11262011 # 64 Si67
0.83466744 0.77571759 0.25291198 # 65 Si68
0.77100177 0.76739610 0.49490285 # 66 Si69
0.90917993 0.77099671 0.89065924 # 67 Si70
0.80206771 0.91568463 0.61767999 # 68 Si71
0.94523365 0.92354502 0.74085081 # 69 Si72
0.07577480 0.02591330 0.09068953 # 70 C18
0.04615602 0.19346720 0.00568828 # 71 C28
0.23718178 0.30321394 0.32712709 # 72 C27
0.18688977 0.11819256 0.46346228 # 73 C25
0.33993237 0.29096246 0.62254027 # 74 C19
0.99508742 0.52185156 0.07788263 # 75 C11
0.16514158 0.53611833 0.14506573 # 76 C9
0.17290887 0.42595535 0.43984772 # 77 C5
0.00272024 0.48353616 0.53285830 # 78 C37
0.25427712 0.66871353 0.80544630 # 79 C3
0.37361979 0.58759491 0.69673665 # 80 C21
0.98251237 0.48843584 0.89713205 # 81 C14
0.08169955 0.69488871 0.08784038 # 82 C8
0.24759121 0.86850555 0.80997036 # 83 C13
0.18916203 0.90402711 0.64613537 # 84 C1
0.17567198 0.75404967 0.94660446 # 85 C20
0.60583767 0.32711332 0.27182930 # 86 C23
0.67279698 0.28159052 0.68075040 # 87 C29
0.50249128 0.15898383 0.90405589 # 88 C17
0.61026465 0.66782385 0.30788665 # 89 C35
0.34823170 0.42901774 0.41644159 # 90 C31
0.36306523 0.36787973 0.92474714 # 91 C32
0.50532369 0.75857078 0.43320311 # 92 C38
0.38620455 0.72310758 0.57431147 # 93 C6
0.49161256 0.83930841 0.88318628 # 94 C4
0.92456292 0.08545913 0.32731702 # 95 C22
0.88658458 0.14462143 0.16180552 # 96 C26
0.85415125 0.13495019 0.48793653 # 97 C15
0.67702023 0.11330028 0.43552520 # 98 C10
0.74788203 0.00039139 0.56880244 # 99 C30
0.89441324 0.36605243 0.79572304 # 100 C7
0.79491827 0.01992986 0.90375622 # 101 C2
0.68573675 0.39764555 0.44304266 # 102 C
0.85687854 0.54457237 0.76412267 # 103 C16
0.68234875 0.68822533 0.00760087 # 104 C24
0.90322020 0.82701792 0.32059721 # 105 C12
0.72323685 0.84406453 0.07115543 # 106 C34
0.95382433 0.83333561 0.80604635 # 107 C33
0.39865711 0.23201458 0.36267094 # 108 C36
0.20900396 0.11755979 0.86383547 # 109 C73
0.19267482 0.40696739 0.88652872 # 110 C111
0.40854761 0.60159943 0.87720934 # 111 C150
0.07630513 0.91957419 0.38339081 # 112 C190
0.41815983 0.38013621 0.22913945 # 113 C231
0.45844961 0.74768541 0.03134026 # 114 C273
0.42820846 0.01927245 0.12538697 # 115 C316
0.90987013 0.97751919 0.46857929 # 116 C360
0.75764279 0.26957926 0.10659166 # 117 C405
0.92397984 0.92701953 0.97777804 # 118 C451
0.77881263 0.14657214 0.74427792 # 119 C498
0.03881757 0.37846191 0.24894720 # 120 C546
0.89142202 0.54483910 0.28611547 # 121 C595
0.64821373 0.78700493 0.63067487 # 122 C645
0.88598707 0.75465156 0.16020412 # 123 C696
0.75605179 0.89144599 0.71133175 # 124 C748
0.25432174 0.69964021 0.38857459 # 125 C53
0.47579413 0.47236035 0.52637406 # 126 C107
0.77736985 0.98055692 0.17122047 # 127 C162
0.80294452 0.21979215 0.29898239 # 128 C56
0.65725913 0.40248831 0.89568635 # 129 C59
0.27302994 0.14451018 0.32101218 # 130 O2
0.33582780 0.23763552 0.20811681 # 131 O5
0.01921655 0.10316933 0.46922313 # 132 O8
0.09448743 0.02744403 0.58329664 # 133 O9
0.27629085 0.18215086 0.73131875 # 134 O10
0.09055848 0.17837352 0.58661317 # 135 O11
0.28580199 0.33743712 0.77366260 # 136 O12
0.17377767 0.27961712 0.67416842 # 137 O14
0.95599766 0.07250998 0.94738369 # 138 O16
0.97312452 0.35727872 0.01025361 # 139 O17
0.23263722 0.46377845 0.29104351 # 140 O18
0.32939626 0.52837715 0.19432790 # 141 O21
0.05622474 0.30716476 0.39701888 # 142 O24
0.10137577 0.32387029 0.54697203 # 143 O25
0.30510212 0.49448207 0.81079912 # 144 O26
0.00831309 0.42454306 0.47544261 # 145 O27
0.24315153 0.85281468 0.32607915 # 146 O34
0.09464792 0.85385281 0.05643553 # 147 O35
0.23617821 0.00318347 0.33304209 # 148 O36
0.32900511 0.93650633 0.23208911 # 149 O37
0.17734355 0.92656655 0.19635829 # 150 O38
0.17343205 0.81982927 0.46120358 # 151 O39
0.01079953 0.78367417 0.44760657 # 152 O40
0.06241817 0.88193459 0.55120570 # 153 O43
0.26278543 0.02367418 0.74051429 # 154 O44
0.34917918 0.92058622 0.66805227 # 155 O45
0.98905631 0.76395313 0.95268658 # 156 O48
0.56296024 0.16055089 0.32387028 # 157 O50
0.48681844 0.23277901 0.19820349 # 158 O54
0.50197664 0.07377552 0.43870184 # 159 O55
0.34494496 0.06694780 0.43686240 # 160 O56
0.42124007 0.01815818 0.56349949 # 161 O57
0.59742442 0.16271665 0.76879003 # 162 O58
0.41942874 0.16651627 0.53595710 # 163 O59
0.53717929 0.30678607 0.78235970 # 164 O60
0.51021172 0.23536249 0.64313846 # 165 O62
0.36841175 0.09913973 0.82227244 # 166 O64
0.39993901 0.31116699 0.08337490 # 167 O65
0.57385595 0.49740902 0.27153801 # 168 O66
0.40573399 0.46656498 0.07791051 # 169 O67
0.62999352 0.59020306 0.14774526 # 170 O69
0.47901157 0.57194580 0.17960783 # 171 O70
0.50852139 0.39757309 0.38646284 # 172 O71
0.45403589 0.31323525 0.51248483 # 173 O73
0.56935697 0.58304823 0.79254944 # 174 O74
0.60367130 0.73088892 0.80675944 # 175 O76
0.65515364 0.64358975 0.68350013 # 176 O77
0.50535414 0.69315977 0.69984863 # 177 O78
0.50809863 0.38720696 0.00227343 # 178 O79
0.36651959 0.61834260 0.07439724 # 179 O81
0.60603348 0.84939875 0.31943011 # 180 O82
0.59304943 0.00679210 0.32699537 # 181 O84
0.62534424 0.93632198 0.18473287 # 182 O85
0.48741642 0.92442021 0.25345102 # 183 O86
0.33900646 0.82414218 0.45210718 # 184 O88
0.59856998 0.88402063 0.78362045 # 185 O90
0.44808011 0.87190107 0.55786327 # 186 O91
0.55527021 0.02565626 0.81730864 # 187 O92
0.49543854 0.95209651 0.68556379 # 188 O94
0.33896614 0.77175154 0.90892187 # 189 O96
0.68143046 0.00562429 0.03975394 # 190 O97
0.77220503 0.12737121 0.02776668 # 191 O99
0.96826166 0.23678307 0.28299135 # 192 O100
0.73944866 0.16909835 0.58670594 # 193 O107
0.01155428 0.29003608 0.66844405 # 194 O109
0.84731507 0.26878128 0.66295959 # 195 O110
0.65550090 0.09963453 0.91402729 # 196 O112
0.82680736 0.42820461 0.05283301 # 197 O113
0.72385535 0.53425087 0.02591629 # 198 O115
0.96067766 0.67928741 0.34892234 # 199 O116
0.02546409 0.61226059 0.21529388 # 200 O117
0.91436209 0.35626546 0.36121593 # 201 O119
0.65559651 0.44340432 0.38193542 # 202 O120
0.88750179 0.69021480 0.84309615 # 203 O124
0.94389733 0.67152147 0.70262807 # 204 O125
0.79277475 0.69632561 0.71114535 # 205 O126
0.81896127 0.47986750 0.90689928 # 206 O127
0.70662926 0.39402744 0.96188404 # 207 O128
0.85254909 0.74512289 0.44865113 # 208 O135
0.69159546 0.77306685 0.43386887 # 209 O136
0.75481800 0.69762839 0.55960805 # 210 O137
0.79420794 0.84608040 0.54744980 # 211 O139
0.92734446 0.98929893 0.81116561 # 212 O140
0.03130775 0.93741375 0.69825405 # 213 O141
0.89024810 0.92785106 0.66055770 # 214 O142
0.82265633 0.78487435 0.93917049 # 215 O143
0.66703771 0.82017216 0.91063983 # 216 O144
0.97937154 0.27301779 0.12962701 # 217 H2
0.10017024 0.05906244 0.94134508 # 218 H4
0.23267854 0.60836744 0.27024793 # 219 H5
0.01288802 0.45986599 0.59091613 # 220 H7
0.09535603 0.42958970 0.99616070 # 221 H8
0.94418913 0.50763798 0.53050882 # 222 H9
0.42112154 0.02622591 0.93911560 # 223 H11
0.35502003 0.14576449 0.96206970 # 224 H12
0.62385983 0.19030183 0.19900331 # 225 H13
0.48691978 0.60628449 0.58726091 # 226 H14
0.38613533 0.88146165 0.99069989 # 227 H16
0.63149252 0.99606892 0.69652040 # 228 H17
0.89172281 0.23331001 0.03034172 # 229 H18
0.93740914 0.21904615 0.76824298 # 230 H19
0.03986438 0.55843291 0.34966204 # 231 H20
0.76912752 0.62334654 0.13237527 # 232 H22
0.71631999 0.43600202 0.48322604 # 233 H23
0.72740437 0.35492869 0.42089017 # 234 H24
0.76445896 0.82389071 0.24003698 # 235 H25
0.03607905 0.89890776 0.18243565 # 236 H26
0.80564801 0.70256666 0.28740946 # 237 H27
0.04474277 0.04790287 0.14202679 # 238 H1
0.10139786 0.20698874 0.03470602 # 239 H3
0.20275752 0.27462214 0.37235613 # 240 H6
0.16663992 0.16984367 0.43159067 # 241 H10
0.35503854 0.35254780 0.62964123 # 242 H15
0.94525979 0.55810706 0.06178187 # 243 H21
0.15177284 0.47537294 0.13097606 # 244 H28
0.15076712 0.48312576 0.42228324 # 245 H36
0.20070126 0.64020984 0.82501244 # 246 H45
0.32262579 0.57690849 0.65986615 # 247 H55
0.03049933 0.47254484 0.85834743 # 248 H66
0.04634701 0.72665759 0.13029897 # 249 H78
0.27337449 0.90322715 0.85710376 # 250 H91
0.18005939 0.84149232 0.65516827 # 251 H105
0.18019679 0.69046946 0.95242660 # 252 H120
0.61400511 0.34607886 0.21129010 # 253 H136
0.66175342 0.31054096 0.62509991 # 254 H153
0.49355767 0.21596142 0.87633321 # 255 H171
0.66684002 0.67441947 0.27923909 # 256 H190
0.37342575 0.47300700 0.37740602 # 257 H210
0.33517077 0.31157107 0.93686797 # 258 H231
0.35101004 0.68131059 0.54115543 # 259 H253
0.46217701 0.83981733 0.82649955 # 260 H276
0.98067559 0.06609337 0.30405301 # 261 H300
0.87565692 0.08217520 0.16372260 # 262 H325
0.84642414 0.19320261 0.46380213 # 263 H351
0.71580988 0.10771693 0.38498047 # 264 H378
0.71536890 0.96689857 0.52528095 # 265 H406
0.91782044 0.33449149 0.84626884 # 266 H435
0.78383784 0.05435593 0.85141434 # 267 H465
0.79444354 0.53156822 0.76120375 # 268 H496
0.67305365 0.65492673 0.95403586 # 269 H528
0.87497356 0.87721846 0.34691111 # 270 H561
0.69144838 0.80261716 0.10767882 # 271 H595
0.96999067 0.78473426 0.76805191 # 272 H630
0.13204912 0.05648143 0.09335919 # 273 H37
0.05548692 0.20792623 0.94422344 # 274 H74
0.19727923 0.30909319 0.27801022 # 275 H112
0.22785581 0.14190348 0.50640870 # 276 H151
0.30542953 0.28974325 0.56879615 # 277 H191
0.97350964 0.48728704 0.12694603 # 278 H232
0.20149060 0.55603310 0.09619170 # 279 H274
0.20202298 0.43572595 0.49558420 # 280 H317
0.24261244 0.68314330 0.74443467 # 281 H361
0.40579065 0.53242325 0.69557008 # 282 H407
0.98642841 0.55175296 0.90422510 # 283 H453
0.14156730 0.70748739 0.10668315 # 284 H500
0.18502765 0.88154361 0.81456020 # 285 H548
0.21772341 0.90707090 0.58922394 # 286 H597
0.21148082 0.77471902 0.99546678 # 287 H647
0.66532318 0.31522027 0.29181806 # 288 H698
0.68764749 0.32843526 0.72133559 # 289 H750
0.52066875 0.16935701 0.96405778 # 290 H803
0.62083171 0.62421869 0.35331273 # 291 H857
0.32679434 0.46370366 0.46561570 # 292 H912
0.41421051 0.35138977 0.88993713 # 293 H968
0.34373796 0.75644597 0.60834475 # 294 H1025
0.49864383 0.90147700 0.89621014 # 295 H1083
0.88327357 0.03935270 0.31172565 # 296 H1142
0.94542620 0.14914963 0.13783982 # 297 H1202
0.87972790 0.14600821 0.54542464 # 298 H1263
0.66883300 0.17659382 0.44004722 # 299 H1325
0.70363158 0.01317464 0.61319390 # 300 H1388
0.83261071 0.34922652 0.79526812 # 301 H1452
0.77235331 0.96208343 0.88853428 # 302 H1517
0.88016425 0.52423071 0.70840119 # 303 H1583
0.62474378 0.71249581 0.02105432 # 304 H1650
0.95272984 0.84781784 0.28680104 # 305 H1718
0.78256950 0.84000925 0.09421135 # 306 H1787
0.00920720 0.85035186 0.83296987 # 307 H1857
0.38144942 0.23425049 0.42334642 # 308 H71
0.43084452 0.17837372 0.35418894 # 309 H72
0.43871309 0.27964239 0.35266390 # 310 H73
0.21847110 0.17196595 0.89498045 # 311 H147
0.15063368 0.11833788 0.83923321 # 312 H148
0.21212306 0.07009214 0.90557448 # 313 H149
0.18912095 0.45217848 0.93065376 # 314 H226
0.15013155 0.41945469 0.84122571 # 315 H227
0.17751410 0.35165410 0.91352827 # 316 H228
0.45050572 0.55420091 0.87597576 # 317 H308
0.44055696 0.65550129 0.86815220 # 318 H309
0.38229500 0.60401718 0.93516650 # 319 H310
0.01896187 0.94152501 0.36971412 # 320 H393
0.11445377 0.96878134 0.39417918 # 321 H394
0.09731480 0.88938940 0.33169114 # 322 H395
0.36651261 0.41500101 0.21906252 # 323 H481
0.42510439 0.37218367 0.29106182 # 324 H482
0.46678062 0.41462159 0.20792779 # 325 H483
0.41662322 0.71057194 0.06279649 # 326 H572
0.50044957 0.70730037 0.00626757 # 327 H573
0.48971206 0.78629784 0.07120385 # 328 H574
0.40773147 0.98884678 0.07337805 # 329 H666
0.39360363 0.07197727 0.13261609 # 330 H667
0.48929273 0.03403386 0.11839993 # 331 H668
0.94554891 0.93151691 0.44523300 # 332 H763
0.91633331 0.97533813 0.53162193 # 333 H764
0.84950036 0.96400393 0.45485359 # 334 H765
0.70977448 0.25005779 0.14360602 # 335 H863
0.78893043 0.31598488 0.13601487 # 336 H864
0.73278058 0.29281952 0.05304166 # 337 H865
0.98403240 0.90758668 0.97746172 # 338 H966
0.88531839 0.87742288 0.97901364 # 339 H967
0.91494926 0.95739443 0.03293263 # 340 H969
0.83357526 0.11610948 0.73461588 # 341 H1073
0.78168121 0.17496257 0.80092151 # 342 H1074
0.73117560 0.10497629 0.74554887 # 343 H1075
0.06259584 0.43215719 0.27268819 # 344 H1182
0.08612589 0.34764563 0.22016310 # 345 H1183
0.99567654 0.39343609 0.20506307 # 346 H1184
0.85538013 0.57171752 0.24140261 # 347 H1294
0.90233838 0.48484822 0.26904109 # 348 H1295
0.85761103 0.54346033 0.33974306 # 349 H1296
0.66855688 0.83798670 0.60012386 # 350 H1409
0.60866301 0.75657303 0.59124593 # 351 H1410
0.61389931 0.80534081 0.68009227 # 352 H1411
0.90895358 0.80733137 0.13335709 # 353 H1527
0.93496197 0.71650238 0.17278483 # 354 H1528
0.84927637 0.72484092 0.11818637 # 355 H1529
0.78547312 0.84129984 0.73662222 # 356 H1648
0.76879758 0.94143093 0.74839973 # 357 H1649
0.69468588 0.88154259 0.71416661 # 358 H1651
0.20097733 0.68232996 0.35933129 # 359 H122
0.30307839 0.68271675 0.35195056 # 360 H123
0.25781212 0.66702826 0.44286577 # 361 H124
0.53408749 0.46138588 0.54880952 # 362 H249
0.47668545 0.52801217 0.49629749 # 363 H250
0.43682363 0.47737710 0.57605737 # 364 H251
0.78822460 0.94273984 0.22078369 # 365 H379
0.83042270 0.98370420 0.13675714 # 366 H380
0.76285165 0.03813244 0.19326154 # 367 H381
0.79953811 0.23227059 0.36081158 # 368 H131
0.79711490 0.27512978 0.26866707 # 369 H132
0.75363922 0.18326664 0.28289376 # 370 H133
0.92648419 0.38839320 0.40634942 # 371 H155
0.64009997 0.36712710 0.47521105 # 372 H311
0.04429292 0.53031926 0.52176013 # 373 H157
0.93352309 0.68803759 0.65016921 # 374 H315
0.58465340 0.53494978 0.76843332 # 375 H159
0.52193683 0.36106728 0.95470158 # 376 H319
0.86940372 0.39635702 0.03440706 # 377 H480
0.61255347 0.44608957 0.90681532 # 378 H162
0.69094556 0.41988752 0.84460488 # 379 H163
0.62948116 0.34716618 0.88230676 # 380 H164
0.47151376 0.74001402 0.38205572 # 381 H165
0.51623921 0.70297696 0.46315712 # 382 H166