./iterations/neb0_image09_iter22.sci output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image09
@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 {} {0.849550357434 0.30804904912 0.0624132069332} Si1 1 0.0 1
14 {} {0.850225797613 0.385367840141 0.444320084229} Si2 2 0.0 1
14 {} {0.0995057368233 0.307702525868 0.192400164915} Si3 3 0.0 1
14 {} {0.0996547938285 0.383671910985 0.317567819513} Si4 4 0.0 1
14 {} {0.860619693428 0.543201546425 0.439645174141} Si5 5 0.0 1
14 {} {0.102872146588 0.537744185967 0.304646854107} Si6 6 0.0 1
14 {} {0.846925416447 0.45923557752 0.066712066458} Si7 7 0.0 1
14 {} {0.845947329399 0.230083024944 0.442253807458} Si8 8 0.0 1
14 {} {0.0992971016852 0.458721622496 0.192086098149} Si9 9 0.0 1
14 {} {0.0956553965853 0.229280601044 0.313589041401} Si10 10 0.0 1
8 {} {0.331855008848 0.591982638202 0.524659237015} O1 11 0.0 1
14 {} {0.350134499242 0.659234685576 0.517202706149} Si11 12 0.0 1
8 {} {0.113205669544 0.589476736935 0.208478722112} O2 13 0.0 1
1 {} {0.0132326738173 0.594401488505 0.148986954799} H1 14 0.0 1
8 {} {0.334827213182 0.178080019623 0.540251314861} O3 15 0.0 1
1 {} {0.933723938697 0.175366790963 0.600951449225} H2 16 0.0 1
8 {} {0.084540880294 0.177525957052 0.215919579797} O4 17 0.0 1
1 {} {0.183557222453 0.173987338102 0.155808504523} H3 18 0.0 1
14 {} {0.850230392245 0.308326146783 0.565090082758} Si12 19 0.0 1
14 {} {0.849286997394 0.384816102739 0.939024327921} Si13 20 0.0 1
14 {} {0.0998341237056 0.309714017189 0.694761594455} Si14 21 0.0 1
14 {} {0.10067415425 0.388334282889 0.813188989869} Si15 22 0.0 1
14 {} {0.852263940731 0.537594029006 0.950882190525} Si16 23 0.0 1
14 {} {0.104112987964 0.543204973861 0.820792839794} Si17 24 0.0 1
14 {} {0.85125578703 0.464517861204 0.559929546939} Si18 25 0.0 1
14 {} {0.84596928827 0.229345755875 0.942536788994} Si19 26 0.0 1
14 {} {0.101329081523 0.466416586832 0.689939811959} Si20 27 0.0 1
14 {} {0.0961302522572 0.230567927519 0.814904847468} Si21 28 0.0 1
8 {} {0.363515973216 0.589557362998 0.0466634287368} O5 29 0.0 1
1 {} {0.263466640237 0.594185788985 0.107005313237} H4 30 0.0 1
8 {} {0.10926455193 0.603969615775 0.781624510938} O6 31 0.0 1
1 {} {0.107282989245 0.626556336119 0.705191895399} H5 32 0.0 1
8 {} {0.334852439256 0.177858792442 0.0410538122866} O7 33 0.0 1
1 {} {0.93386465715 0.17418809697 0.100993626373} H6 34 0.0 1
8 {} {0.0850033717424 0.180055434047 0.713807625473} O8 35 0.0 1
1 {} {0.184573723376 0.17616864418 0.654092513986} H7 36 0.0 1
14 {} {0.349639380055 0.308068067812 0.0625508240887} Si22 37 0.0 1
14 {} {0.350258961353 0.384703561359 0.443306818058} Si23 38 0.0 1
14 {} {0.5996631948 0.308312159744 0.192380477062} Si24 39 0.0 1
14 {} {0.600791128553 0.384305581318 0.317964758163} Si25 40 0.0 1
14 {} {0.349854084 0.540762304384 0.435637138957} Si26 41 0.0 1
14 {} {0.607083192878 0.542481202159 0.312837044482} Si27 42 0.0 1
14 {} {0.354403505396 0.459023360898 0.069179829946} Si28 43 0.0 1
14 {} {0.345482038263 0.229693629731 0.442150055692} Si29 44 0.0 1
14 {} {0.602340687718 0.461640275042 0.20035871926} Si30 45 0.0 1
14 {} {0.595799390894 0.229842582043 0.313870161661} Si31 46 0.0 1
8 {} {0.873607996273 0.590997949412 0.540276622509} O9 47 0.0 1
1 {} {0.952915686809 0.621640506149 0.534655381941} H8 48 0.0 1
8 {} {0.616860730226 0.591453166538 0.209469191998} O10 49 0.0 1
1 {} {0.515415376064 0.595693590147 0.150778172424} H9 50 0.0 1
8 {} {0.834576699957 0.178616089948 0.540719518955} O11 51 0.0 1
1 {} {0.43381922209 0.174751835844 0.600537650741} H10 52 0.0 1
8 {} {0.585034447153 0.178181724422 0.215898744572} O12 53 0.0 1
1 {} {0.684013604964 0.174540852028 0.155774618379} H11 54 0.0 1
14 {} {0.349074089324 0.307878462345 0.564839641266} Si32 55 0.0 1
14 {} {0.351489629624 0.384963796263 0.939717338179} Si33 56 0.0 1
14 {} {0.599517414276 0.308787862701 0.693510873839} Si34 57 0.0 1
14 {} {0.600312837429 0.386973609886 0.811973831859} Si35 58 0.0 1
14 {} {0.354455417843 0.537180029319 0.953584783643} Si36 59 0.0 1
14 {} {0.601259542942 0.541472017037 0.819007882505} Si37 60 0.0 1
14 {} {0.351806062677 0.463297833753 0.560518174574} Si38 61 0.0 1
14 {} {0.346210990758 0.229351490169 0.942685227065} Si39 62 0.0 1
14 {} {0.601643298941 0.465080795504 0.690666973224} Si40 63 0.0 1
14 {} {0.595988781455 0.230065750952 0.81458947466} Si41 64 0.0 1
8 {} {0.861728997019 0.590211649662 0.0435390520715} O13 65 0.0 1
1 {} {0.763402383279 0.594389414631 0.105563468225} H12 66 0.0 1
8 {} {0.595846364018 0.596807238496 0.742914398073} O14 67 0.0 1
14 {} {0.593424634196 0.662512347258 0.743341276635} Si42 68 0.0 1
8 {} {0.834864454591 0.177849019926 0.0408838375603} O15 69 0.0 1
1 {} {0.433872005521 0.174356769336 0.101185006425} H13 70 0.0 1
8 {} {0.58472643955 0.179284102263 0.714256234646} O16 71 0.0 1
1 {} {0.68408150388 0.17574347155 0.654251752213} H14 72 0.0 1
7 {} {0.446291521271 0.688497793194 0.644239237009} N 73 0.0 1
1 {} {0.441932131622 0.752062273231 0.647285446307} H16 74 0.0 1
9 {} {0.790736650048 0.680676686846 0.721035361755} F4 75 0.0 1
9 {} {0.262970976491 0.682105346646 0.392046656558} F5 76 0.0 1
9 {} {0.540826656087 0.680209427866 0.879995649622} F3 77 0.0 1
9 {} {0.137782198437 0.663149367316 0.587666011407} F1 78 0.0 1
9 {} {0.436037808475 0.790478107769 0.661916687116} F2 79 0.0 1
9 {} {0.555958323023 0.657849905581 0.455314800308} 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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@data
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@data
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