./iterations/neb0_image08_iter50.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 {} {0.849354327362 0.307684741879 0.0627826488258} Si1 1 0.0 1
14 {} {0.849949582646 0.385174919869 0.444437801437} Si2 2 0.0 1
14 {} {0.099283723843 0.307457836912 0.192706864148} Si3 3 0.0 1
14 {} {0.099456327805 0.38345829842 0.317836858432} Si4 4 0.0 1
14 {} {0.858714223176 0.542044251176 0.438462208517} Si5 5 0.0 1
14 {} {0.105011744844 0.538209796918 0.306706720968} Si6 6 0.0 1
14 {} {0.849547724645 0.458696441412 0.0661379960669} Si7 7 0.0 1
14 {} {0.845589981373 0.229769768473 0.442193780124} Si8 8 0.0 1
14 {} {0.100140432336 0.458791545786 0.193580437592} Si9 9 0.0 1
14 {} {0.0954011059963 0.229028851081 0.313742560066} Si10 10 0.0 1
8 {} {0.360651487301 0.594949870034 0.517488623985} O1 11 0.0 1
14 {} {0.350361976005 0.661952523516 0.517001439151} Si11 12 0.0 1
8 {} {0.112387332671 0.589434513645 0.209063920302} O2 13 0.0 1
1 {} {0.0120791408916 0.593904632787 0.149526635979} H1 14 0.0 1
8 {} {0.334644601713 0.17818902532 0.540583426139} O3 15 0.0 1
1 {} {0.933546756629 0.175155441989 0.601170109354} H2 16 0.0 1
8 {} {0.0843035240613 0.177310220662 0.215949279319} O4 17 0.0 1
1 {} {0.183293532509 0.173759641975 0.155800420319} H3 18 0.0 1
14 {} {0.849739457753 0.308016942101 0.564981891515} Si12 19 0.0 1
14 {} {0.849742244715 0.384271788475 0.938888160736} Si13 20 0.0 1
14 {} {0.0996375624293 0.309199560118 0.6942867524} Si14 21 0.0 1
14 {} {0.10037396725 0.38775483838 0.812741091956} Si15 22 0.0 1
14 {} {0.851180811687 0.537283786731 0.950842908973} Si16 23 0.0 1
14 {} {0.101870927539 0.542766503592 0.82247703401} Si17 24 0.0 1
14 {} {0.850898743283 0.464124736021 0.561172628811} Si18 25 0.0 1
14 {} {0.845604702068 0.22904125721 0.942608226775} Si19 26 0.0 1
14 {} {0.100550792591 0.466581656868 0.691473101854} Si20 27 0.0 1
14 {} {0.0957727579529 0.230159560855 0.814929130852} Si21 28 0.0 1
8 {} {0.364118893762 0.588988265523 0.0468237450672} O5 29 0.0 1
1 {} {0.263558887243 0.594060467379 0.106279785564} H4 30 0.0 1
8 {} {0.119844349581 0.603729172973 0.778787575923} O6 31 0.0 1
1 {} {0.0914940284909 0.624497809022 0.7047289849} H5 32 0.0 1
8 {} {0.33450107044 0.177528899791 0.0410735686144} O7 33 0.0 1
1 {} {0.933554794542 0.173908327927 0.101053864563} H6 34 0.0 1
8 {} {0.0846382079301 0.179558973796 0.714027546} O8 35 0.0 1
1 {} {0.184178174366 0.175778027335 0.654244448456} H7 36 0.0 1
14 {} {0.349233866934 0.307728519281 0.0627993852068} Si22 37 0.0 1
14 {} {0.349494033584 0.38582501705 0.444321447014} Si23 38 0.0 1
14 {} {0.599276841472 0.307842085517 0.192624137576} Si24 39 0.0 1
14 {} {0.600007084078 0.383775509184 0.318376403619} Si25 40 0.0 1
14 {} {0.356035538381 0.542015363538 0.434056674528} Si26 41 0.0 1
14 {} {0.608056365173 0.539966765604 0.309234317493} Si27 42 0.0 1
14 {} {0.352348492617 0.458600851618 0.0680524940401} Si28 43 0.0 1
14 {} {0.345394697668 0.229650502129 0.442008790154} Si29 44 0.0 1
14 {} {0.602415055817 0.459876905313 0.196482219248} Si30 45 0.0 1
14 {} {0.595551529447 0.229416997327 0.31387484847} Si31 46 0.0 1
8 {} {0.868877630155 0.591691810505 0.535919697745} O9 47 0.0 1
1 {} {0.946095162547 0.622386080015 0.525449623059} H8 48 0.0 1
8 {} {0.615556428014 0.591046448453 0.211371939258} O10 49 0.0 1
1 {} {0.514211024422 0.594975332369 0.152380171316} H9 50 0.0 1
8 {} {0.834381260647 0.17838785873 0.540922896599} O11 51 0.0 1
1 {} {0.433733438374 0.174704188515 0.600777286021} H10 52 0.0 1
8 {} {0.584694712472 0.177773668743 0.215866921104} O12 53 0.0 1
1 {} {0.683675724587 0.174179707533 0.155723279539} H11 54 0.0 1
14 {} {0.349030153436 0.308184358736 0.564462046958} Si32 55 0.0 1
14 {} {0.350420513111 0.384462607321 0.93959727705} Si33 56 0.0 1
14 {} {0.599191037145 0.30847329798 0.693567023735} Si34 57 0.0 1
14 {} {0.599807124029 0.386500358703 0.812471786778} Si35 58 0.0 1
14 {} {0.351724129971 0.536830043035 0.952769952333} Si36 59 0.0 1
14 {} {0.599807456961 0.54071526124 0.821176194079} Si37 60 0.0 1
14 {} {0.350733120238 0.465176288241 0.560900890551} Si38 61 0.0 1
14 {} {0.345787044925 0.229034827946 0.94273135302} Si39 62 0.0 1
14 {} {0.600568442574 0.464771783778 0.691405939662} Si40 63 0.0 1
14 {} {0.595598217395 0.229759946355 0.814671418944} Si41 64 0.0 1
8 {} {0.861186221028 0.589757024581 0.0443443060333} O13 65 0.0 1
1 {} {0.762094672758 0.594540180849 0.105246545877} H12 66 0.0 1
8 {} {0.597041987106 0.596251184795 0.745555485187} O14 67 0.0 1
14 {} {0.590648679763 0.661617885608 0.747268459289} Si42 68 0.0 1
8 {} {0.834572974098 0.177525982606 0.0409081372279} O15 69 0.0 1
1 {} {0.433508739764 0.174026440791 0.101228949823} H13 70 0.0 1
8 {} {0.584516488696 0.178926345706 0.714439942777} O16 71 0.0 1
1 {} {0.683841704472 0.175414641165 0.654388346409} H14 72 0.0 1
7 {} {0.438669289097 0.688419941953 0.65253384618} N 73 0.0 1
1 {} {0.436629086052 0.751825313849 0.657336629363} H16 74 0.0 1
9 {} {0.78623701257 0.679537770885 0.718536592873} F4 75 0.0 1
9 {} {0.275142320423 0.680615591707 0.383617328657} F5 76 0.0 1
9 {} {0.550843582834 0.678966565712 0.886089595469} F3 77 0.0 1
9 {} {0.14116225036 0.664013522093 0.57609657951} F1 78 0.0 1
9 {} {0.436065228057 0.791425204439 0.658851691438} F2 79 0.0 1
9 {} {0.557198462235 0.675595429326 0.467220333205} F6 80 0.0 1
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@data
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