./iterations/neb0_image08_iter43.sci output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image08
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
Spin double 0.0
WyckoffPosition int -1
@end
@data
14 {} {0.849342576118 0.307619195422 0.0629291467834} Si1 1 0.0 1
14 {} {0.850032179619 0.385115756184 0.44445138752} Si2 2 0.0 1
14 {} {0.0992539330204 0.307426165559 0.192736009271} Si3 3 0.0 1
14 {} {0.0994716206811 0.383395928816 0.31789462611} Si4 4 0.0 1
14 {} {0.858432821034 0.542068542818 0.438574346347} Si5 5 0.0 1
14 {} {0.106046963421 0.538485492668 0.307491472583} Si6 6 0.0 1
14 {} {0.850513973514 0.458545359579 0.0660458292611} Si7 7 0.0 1
14 {} {0.845549870925 0.229706628003 0.442157058009} Si8 8 0.0 1
14 {} {0.100569053716 0.458835772315 0.194094683035} Si9 9 0.0 1
14 {} {0.095365486744 0.228982859831 0.313767927635} Si10 10 0.0 1
8 {} {0.367233357021 0.594879573567 0.517263940904} O1 11 0.0 1
14 {} {0.349046151412 0.663038132764 0.517388164628} Si11 12 0.0 1
8 {} {0.112108030183 0.589352128828 0.209073505365} O2 13 0.0 1
1 {} {0.0117567415249 0.593828955053 0.1495099981} H1 14 0.0 1
8 {} {0.334694467109 0.178232166519 0.54065824944} O3 15 0.0 1
1 {} {0.933512040228 0.175120568813 0.601177417386} H2 16 0.0 1
8 {} {0.0843336376089 0.177282560929 0.215927128279} O4 17 0.0 1
1 {} {0.183239860223 0.173719894024 0.155809462744} H3 18 0.0 1
14 {} {0.849673947605 0.307974089548 0.565015360273} Si12 19 0.0 1
14 {} {0.849792359076 0.384140019846 0.93881861983} Si13 20 0.0 1
14 {} {0.0996438743768 0.309136985936 0.694110238859} Si14 21 0.0 1
14 {} {0.100404822039 0.387735993757 0.812669419184} Si15 22 0.0 1
14 {} {0.850804052227 0.537263987936 0.95083599525} Si16 23 0.0 1
14 {} {0.101709351945 0.543817976923 0.822138744188} Si17 24 0.0 1
14 {} {0.850856573245 0.463962450564 0.561717433335} Si18 25 0.0 1
14 {} {0.845549897939 0.228987296504 0.942607130808} Si19 26 0.0 1
14 {} {0.100405176349 0.466739263427 0.691709847301} Si20 27 0.0 1
14 {} {0.0957290040421 0.230071547575 0.814997875405} Si21 28 0.0 1
8 {} {0.364295393688 0.588807079869 0.0469394523235} O5 29 0.0 1
1 {} {0.263819268687 0.594091975899 0.106067580418} H4 30 0.0 1
8 {} {0.122795979201 0.602976767663 0.780096328197} O6 31 0.0 1
1 {} {0.0902560700118 0.62397997516 0.703292632072} H5 32 0.0 1
8 {} {0.33451092977 0.177495246329 0.0410906460979} O7 33 0.0 1
1 {} {0.933492032337 0.173858367105 0.101030104238} H6 34 0.0 1
8 {} {0.0846278729081 0.179496333555 0.714018898075} O8 35 0.0 1
1 {} {0.184108019833 0.175713494407 0.654272291685} H7 36 0.0 1
14 {} {0.349181939168 0.307700543851 0.0629012796508} Si22 37 0.0 1
14 {} {0.349226934523 0.386308237914 0.444711836487} Si23 38 0.0 1
14 {} {0.59923597666 0.307741543635 0.19259114877} Si24 39 0.0 1
14 {} {0.599816776542 0.383651317702 0.318496546851} Si25 40 0.0 1
14 {} {0.357684432594 0.541602227674 0.432275954457} Si26 41 0.0 1
14 {} {0.608312000513 0.539504382434 0.308314990577} Si27 42 0.0 1
14 {} {0.351788008541 0.458458595863 0.0679190541135} Si28 43 0.0 1
14 {} {0.34542237082 0.229654415747 0.441952099081} Si29 44 0.0 1
14 {} {0.602398074969 0.45946643608 0.195582880119} Si30 45 0.0 1
14 {} {0.59554378 0.229342855155 0.313864433005} Si31 46 0.0 1
8 {} {0.868931070166 0.591475132872 0.535131295503} O9 47 0.0 1
1 {} {0.944484857541 0.622725925253 0.523212467818} H8 48 0.0 1
8 {} {0.615304341311 0.590952766997 0.211758973655} O10 49 0.0 1
1 {} {0.514013458178 0.594896322115 0.153012172806} H9 50 0.0 1
8 {} {0.834418292941 0.178356609174 0.540960147648} O11 51 0.0 1
1 {} {0.433740222694 0.174698100173 0.600781047157} H10 52 0.0 1
8 {} {0.584695769774 0.177725105299 0.21582605398} O12 53 0.0 1
1 {} {0.683613987943 0.17412940659 0.155733630032} H11 54 0.0 1
14 {} {0.349083094739 0.308342065496 0.564410134695} Si32 55 0.0 1
14 {} {0.350235553402 0.384379194651 0.939512626995} Si33 56 0.0 1
14 {} {0.599189294783 0.308423647658 0.693555747365} Si34 57 0.0 1
14 {} {0.599643554526 0.386395776553 0.812726114305} Si35 58 0.0 1
14 {} {0.351280828529 0.536796392573 0.952628759858} Si36 59 0.0 1
14 {} {0.599590466011 0.540611495519 0.821520121789} Si37 60 0.0 1
14 {} {0.350580421693 0.465958797198 0.560760995423} Si38 61 0.0 1
14 {} {0.345778540988 0.228965649694 0.942708663883} Si39 62 0.0 1
14 {} {0.600185380114 0.464772102275 0.691463540254} Si40 63 0.0 1
14 {} {0.595568941478 0.229694160803 0.8147060394} Si41 64 0.0 1
8 {} {0.860903054578 0.589659931173 0.0447419179572} O13 65 0.0 1
1 {} {0.761712222884 0.59467329841 0.105175648635} H12 66 0.0 1
8 {} {0.597687630314 0.59633231928 0.746363582155} O14 67 0.0 1
14 {} {0.588913100376 0.661363350557 0.748605417305} Si42 68 0.0 1
8 {} {0.834596291266 0.177494435484 0.0409194391469} O15 69 0.0 1
1 {} {0.433424468439 0.173974430798 0.101219247897} H13 70 0.0 1
8 {} {0.584555603605 0.178879046433 0.714439664475} O16 71 0.0 1
1 {} {0.6837950264 0.175349273421 0.654420467627} H14 72 0.0 1
7 {} {0.435798004124 0.689236809162 0.655512045121} N 73 0.0 1
1 {} {0.434574181298 0.753561287805 0.660653446204} H16 74 0.0 1
9 {} {0.783818501115 0.679477458853 0.717620391} F4 75 0.0 1
9 {} {0.27444056723 0.681047905911 0.380781160348} F5 76 0.0 1
9 {} {0.5533344099 0.678535387044 0.888942949273} F3 77 0.0 1
9 {} {0.143145703035 0.6637914926 0.574236172392} F1 78 0.0 1
9 {} {0.436371426534 0.790690764404 0.657834497077} F2 79 0.0 1
9 {} {0.557046782981 0.67575337751 0.465387613977} F6 80 0.0 1
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RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
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ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
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@data
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AsymmetricBond reference AsymmetricBond
Atom1 reference Atom
Atom2 reference Atom
CellOffset2 int {{0 0 0}}
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Color string {{#65d9f0}}
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@data
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