./iterations/neb0_image08_iter32.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 {} {0.849320199581 0.307780224694 0.0626182544957} Si1 1 0.0 1
14 {} {0.849871483154 0.385241228202 0.444386346511} Si2 2 0.0 1
14 {} {0.0992262947188 0.307500807907 0.192622821365} Si3 3 0.0 1
14 {} {0.0991889233441 0.383532426942 0.317622988613} Si4 4 0.0 1
14 {} {0.858528618993 0.542222692664 0.438612687767} Si5 5 0.0 1
14 {} {0.104053627923 0.537870671771 0.30603479702} Si6 6 0.0 1
14 {} {0.847899724066 0.458882400749 0.0663172361444} Si7 7 0.0 1
14 {} {0.845633201477 0.229832461863 0.442196392215} Si8 8 0.0 1
14 {} {0.0994861767852 0.458665963587 0.192589910616} Si9 9 0.0 1
14 {} {0.0954017156996 0.229085576018 0.313711531535} Si10 10 0.0 1
8 {} {0.356719318146 0.595933305494 0.515305750398} O1 11 0.0 1
14 {} {0.350007483351 0.661717149202 0.517632864904} Si11 12 0.0 1
8 {} {0.112758365237 0.589446392501 0.209207576015} O2 13 0.0 1
1 {} {0.0126734916514 0.594051042081 0.14962417077} H1 14 0.0 1
8 {} {0.334605501166 0.178069388951 0.540513400129} O3 15 0.0 1
1 {} {0.933538905285 0.175209734178 0.601151275584} H2 16 0.0 1
8 {} {0.0842880174258 0.177342916107 0.215945495245} O4 17 0.0 1
1 {} {0.183307124832 0.173813252939 0.155815217253} H3 18 0.0 1
14 {} {0.849805653271 0.30806810915 0.564952641834} Si12 19 0.0 1
14 {} {0.849521809153 0.384446680305 0.939082210623} Si13 20 0.0 1
14 {} {0.0995151766948 0.309221221232 0.694481126298} Si14 21 0.0 1
14 {} {0.100232501347 0.387682128071 0.813094936703} Si15 22 0.0 1
14 {} {0.851613303704 0.537215756073 0.950665292919} Si16 23 0.0 1
14 {} {0.102089694919 0.542577148454 0.821911313826} Si17 24 0.0 1
14 {} {0.850890312231 0.464302380637 0.560317102173} Si18 25 0.0 1
14 {} {0.845649098079 0.229105153684 0.942590070347} Si19 26 0.0 1
14 {} {0.100601731226 0.466178183882 0.691059487434} Si20 27 0.0 1
14 {} {0.0957740495924 0.2302327938 0.814897262987} Si21 28 0.0 1
8 {} {0.363832280159 0.589216420156 0.0465388000731} O5 29 0.0 1
1 {} {0.263371687921 0.593934494366 0.10638980053} H4 30 0.0 1
8 {} {0.115572217009 0.603442144255 0.780336358232} O6 31 0.0 1
1 {} {0.0915708423623 0.625379729542 0.705235994899} H5 32 0.0 1
8 {} {0.33451693862 0.177576801571 0.0410724889342} O7 33 0.0 1
1 {} {0.933577255727 0.173977330356 0.10106882409} H6 34 0.0 1
8 {} {0.0846668534679 0.179627162505 0.713997258533} O8 35 0.0 1
1 {} {0.184219787293 0.175850288326 0.654233549438} H7 36 0.0 1
14 {} {0.349311152466 0.307790103376 0.062734274368} Si22 37 0.0 1
14 {} {0.349808976871 0.385092486219 0.443485393139} Si23 38 0.0 1
14 {} {0.599386723251 0.307970669634 0.192592892046} Si24 39 0.0 1
14 {} {0.600438354154 0.383869888884 0.318188203581} Si25 40 0.0 1
14 {} {0.354040455727 0.542512826325 0.435866050312} Si26 41 0.0 1
14 {} {0.606675387361 0.540499332913 0.310503442846} Si27 42 0.0 1
14 {} {0.353109601517 0.458868342662 0.0682825928438} Si28 43 0.0 1
14 {} {0.345336361083 0.229551331373 0.442006512543} Si29 44 0.0 1
14 {} {0.602154918744 0.460346106596 0.19774916004} Si30 45 0.0 1
14 {} {0.5955637745 0.229527508496 0.313882872117} Si31 46 0.0 1
8 {} {0.867563819357 0.591815739475 0.536318523188} O9 47 0.0 1
1 {} {0.949096928158 0.621818325079 0.528643218601} H8 48 0.0 1
8 {} {0.615188148772 0.591240474347 0.211569401859} O10 49 0.0 1
1 {} {0.514633469586 0.594944046787 0.15167809707} H9 50 0.0 1
8 {} {0.834370414564 0.178434255825 0.540909654248} O11 51 0.0 1
1 {} {0.433658300296 0.174691837165 0.600767919526} H10 52 0.0 1
8 {} {0.584743183264 0.177851607773 0.215919087448} O12 53 0.0 1
1 {} {0.683692268708 0.174250564951 0.155744514977} H11 54 0.0 1
14 {} {0.348939953371 0.307865335493 0.564699926585} Si32 55 0.0 1
14 {} {0.350745360274 0.384646869111 0.939773195129} Si33 56 0.0 1
14 {} {0.599253127617 0.308536321546 0.693587070174} Si34 57 0.0 1
14 {} {0.60006855945 0.386593478989 0.812256203109} Si35 58 0.0 1
14 {} {0.352127899637 0.536973870775 0.952616859386} Si36 59 0.0 1
14 {} {0.600240562941 0.540727481124 0.820965858831} Si37 60 0.0 1
14 {} {0.351080812391 0.46442434274 0.560939936277} Si38 61 0.0 1
14 {} {0.345781000394 0.229106448392 0.942728865597} Si39 62 0.0 1
14 {} {0.601252219157 0.464718863732 0.691390934678} Si40 63 0.0 1
14 {} {0.595639518326 0.229840702729 0.814666286509} Si41 64 0.0 1
8 {} {0.8614934835 0.58984952932 0.0437360102511} O13 65 0.0 1
1 {} {0.762981461562 0.59431093893 0.10513817245} H12 66 0.0 1
8 {} {0.597232035416 0.596159479522 0.744442495074} O14 67 0.0 1
14 {} {0.593703586218 0.661558468414 0.745274783228} Si42 68 0.0 1
8 {} {0.834582235003 0.177579033376 0.0409193077236} O15 69 0.0 1
1 {} {0.433550660484 0.17410107535 0.101218124617} H13 70 0.0 1
8 {} {0.584468494042 0.178994395847 0.714408476713} O16 71 0.0 1
1 {} {0.68382469239 0.175507896445 0.654375466866} H14 72 0.0 1
7 {} {0.441497292021 0.687535585537 0.650558049459} N 73 0.0 1
1 {} {0.440386980353 0.750661336162 0.652283128361} H16 74 0.0 1
9 {} {0.790234024985 0.679330241859 0.720162502645} F4 75 0.0 1
9 {} {0.274321591769 0.679352379643 0.385168320871} F5 76 0.0 1
9 {} {0.547577137939 0.679811984882 0.882206195507} F3 77 0.0 1
9 {} {0.139463218509 0.665016037841 0.578467548453} F1 78 0.0 1
9 {} {0.435383386331 0.790409798328 0.660295153178} F2 79 0.0 1
9 {} {0.557911822125 0.675515389183 0.471297436708} 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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AsymmetricBond reference AsymmetricBond
Atom1 reference Atom
Atom2 reference Atom
CellOffset2 int {{0 0 0}}
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Color string {{#65d9f0}}
Criteria string {{}}
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@data
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