./iterations/neb0_image09_iter27.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 {} {0.849541671587 0.308031295316 0.0624316016541} Si1 1 0.0 1
14 {} {0.850205148223 0.385356415669 0.444318544236} Si2 2 0.0 1
14 {} {0.0995055931466 0.307693417248 0.192455036798} Si3 3 0.0 1
14 {} {0.0996158514654 0.383654288045 0.317609703355} Si4 4 0.0 1
14 {} {0.860233100715 0.54300518254 0.439715637357} Si5 5 0.0 1
14 {} {0.103075069267 0.53774738078 0.304676794064} Si6 6 0.0 1
14 {} {0.847047919968 0.459171652876 0.0666769960128} Si7 7 0.0 1
14 {} {0.845931786158 0.230065472986 0.44224868217} Si8 8 0.0 1
14 {} {0.0992914238564 0.458714771654 0.192197916861} Si9 9 0.0 1
14 {} {0.0956645753169 0.229263510153 0.313602331311} Si10 10 0.0 1
8 {} {0.33387075452 0.592682850084 0.523338315201} O1 11 0.0 1
14 {} {0.351751710469 0.658774986334 0.517566400579} Si11 12 0.0 1
8 {} {0.113163037784 0.58949406755 0.20841662226} O2 13 0.0 1
1 {} {0.0131655530184 0.594391195131 0.149022074923} H1 14 0.0 1
8 {} {0.334849822113 0.178088025217 0.540272079467} O3 15 0.0 1
1 {} {0.93372340452 0.175356102513 0.600957209742} H2 16 0.0 1
8 {} {0.0845571925628 0.177512739008 0.21590743472} O4 17 0.0 1
1 {} {0.183554294617 0.173968432954 0.155808504215} H3 18 0.0 1
14 {} {0.850202223289 0.30830542867 0.565084432723} Si12 19 0.0 1
14 {} {0.849356639016 0.384785592355 0.93900483663} Si13 20 0.0 1
14 {} {0.0998279930366 0.309677466073 0.694773532945} Si14 21 0.0 1
14 {} {0.100597850328 0.388296640331 0.813200433085} Si15 22 0.0 1
14 {} {0.852410337928 0.537559051737 0.950958523719} Si16 23 0.0 1
14 {} {0.103949857156 0.543039500873 0.820772591026} Si17 24 0.0 1
14 {} {0.851242057729 0.464508620165 0.559895520204} Si18 25 0.0 1
14 {} {0.845959316581 0.229340237947 0.942553226105} Si19 26 0.0 1
14 {} {0.101309618946 0.46650453869 0.690099293229} Si20 27 0.0 1
14 {} {0.0961495021433 0.230556542386 0.814889068082} Si21 28 0.0 1
8 {} {0.363673216277 0.589545461982 0.0467054866359} O5 29 0.0 1
1 {} {0.263493909004 0.594165677464 0.106947545399} H4 30 0.0 1
8 {} {0.109216336623 0.604449578967 0.780888654318} O6 31 0.0 1
1 {} {0.107871262207 0.626251107842 0.70522406843} H5 32 0.0 1
8 {} {0.334865625177 0.177841019406 0.0410636856531} O7 33 0.0 1
1 {} {0.933860270515 0.174166647307 0.100987365137} H6 34 0.0 1
8 {} {0.0850005607687 0.1800323424 0.713798965058} O8 35 0.0 1
1 {} {0.184552798132 0.176144550038 0.654111528447} H7 36 0.0 1
14 {} {0.349634411001 0.308042702764 0.062552767615} Si22 37 0.0 1
14 {} {0.350228673843 0.384779539656 0.44332493321} Si23 38 0.0 1
14 {} {0.599658946586 0.308289103506 0.192436009876} Si24 39 0.0 1
14 {} {0.600772976243 0.384221848435 0.318039717235} Si25 40 0.0 1
14 {} {0.350770253999 0.541241759689 0.436101888217} Si26 41 0.0 1
14 {} {0.606963229255 0.542277428875 0.312452479815} Si27 42 0.0 1
14 {} {0.354289005377 0.458997626874 0.0691077140958} Si28 43 0.0 1
14 {} {0.345493228792 0.229686799547 0.442132416041} Si29 44 0.0 1
14 {} {0.602477084601 0.461450664974 0.199974867084} Si30 45 0.0 1
14 {} {0.595784805954 0.229826152258 0.313861286712} Si31 46 0.0 1
8 {} {0.873879764387 0.591044635246 0.540237613919} O9 47 0.0 1
1 {} {0.952548314009 0.621778292099 0.534109177825} H8 48 0.0 1
8 {} {0.616757457459 0.591479756516 0.209665476221} O10 49 0.0 1
1 {} {0.515324172824 0.595647425797 0.151006477813} H9 50 0.0 1
8 {} {0.834598976653 0.1785983685 0.540733428647} O11 51 0.0 1
1 {} {0.433825870536 0.174742588943 0.600539073812} H10 52 0.0 1
8 {} {0.585046134871 0.178162626966 0.215887524053} O12 53 0.0 1
1 {} {0.684002251524 0.174519155807 0.155770626208} H11 54 0.0 1
14 {} {0.349088149492 0.307891120238 0.564802665036} Si32 55 0.0 1
14 {} {0.351379637317 0.384947556344 0.939751942945} Si33 56 0.0 1
14 {} {0.599500517008 0.308783214319 0.693544265651} Si34 57 0.0 1
14 {} {0.600277861207 0.386939381712 0.812031003077} Si35 58 0.0 1
14 {} {0.354297610165 0.537149040242 0.953575413335} Si36 59 0.0 1
14 {} {0.601115348242 0.541428337575 0.819001983437} Si37 60 0.0 1
14 {} {0.351721011857 0.463576458911 0.560427619671} Si38 61 0.0 1
14 {} {0.346192504952 0.229343598374 0.94269162728} Si39 62 0.0 1
14 {} {0.601637212595 0.465048592675 0.690729038789} Si40 63 0.0 1
14 {} {0.595997515901 0.230053992509 0.814588046611} Si41 64 0.0 1
8 {} {0.861551176266 0.590186190426 0.0436721467632} O13 65 0.0 1
1 {} {0.763312718626 0.594441513939 0.105551369209} H12 66 0.0 1
8 {} {0.596187178962 0.596954059312 0.743156989882} O14 67 0.0 1
14 {} {0.591592813512 0.662848384293 0.743184309197} Si42 68 0.0 1
8 {} {0.834876437291 0.177835138868 0.0408971406494} O15 69 0.0 1
1 {} {0.433856427613 0.174335456723 0.101190323714} H13 70 0.0 1
8 {} {0.584745198573 0.179262586342 0.714248340294} O16 71 0.0 1
1 {} {0.684077022331 0.175715784506 0.654259021889} H14 72 0.0 1
7 {} {0.44543560749 0.688557658599 0.644249801606} N 73 0.0 1
1 {} {0.441397576767 0.752755784816 0.648671271481} H16 74 0.0 1
9 {} {0.789256615082 0.680521810799 0.720922098744} F4 75 0.0 1
9 {} {0.263801824714 0.682005847402 0.392526048701} F5 76 0.0 1
9 {} {0.542148076348 0.679984390633 0.880813711064} F3 77 0.0 1
9 {} {0.139053916144 0.663010785993 0.587032493872} F1 78 0.0 1
9 {} {0.436165025443 0.789956384585 0.66118995053} F2 79 0.0 1
9 {} {0.553034855305 0.65797296315 0.455428600726} 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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ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
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}}
Criteria string {{}}
DisplayLine int 0
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@data
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