iterations/neb0_image02_iter9.sci output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image02
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.351093595353 0.555079884897 0.421925675664} C1 1 1
14 {} {0.332031874566 0.522069586079 0.532973536805} Si1 2 1
14 {} {0.406323545471 0.597215018582 0.417706377918} Si2 3 1
8 {} {0.335327750267 0.582312878452 0.608217875538} O1 4 1
8 {} {0.279071670704 0.500047767776 0.525006137186} O2 5 1
6 {} {0.363702013305 0.446098527324 0.568355089036} C2 6 1
6 {} {0.455414226404 0.539613822552 0.411439529797} C3 7 1
8 {} {0.407944013766 0.641622813421 0.512784520614} O3 8 1
8 {} {0.406657912472 0.648120587175 0.329934403633} O4 9 1
14 {} {0.226814199137 0.505660256836 0.555605665628} Si3 10 1
7 {} {0.207176938009 0.426969105645 0.587050159079} N1 11 1
14 {} {0.171131697737 0.422680184218 0.678922317134} Si4 12 1
14 {} {0.222783033535 0.35694906483 0.523004768765} Si5 13 1
7 {} {0.223987587155 0.369301479141 0.409435681057} N2 14 1
7 {} {0.123603543536 0.470969891531 0.671753234872} N3 15 1
1 {} {0.350659314754 0.514659134914 0.371873751186} H1 16 1
1 {} {0.326173682777 0.592227976719 0.399890656501} H2 17 1
1 {} {0.359107168318 0.61449715849 0.595145660295} H3 18 1
1 {} {0.360377472869 0.405103194586 0.519852540779} H4 19 1
1 {} {0.351030647912 0.428041684954 0.632857567314} H5 20 1
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1 {} {0.487206263592 0.567261052144 0.410663803746} H7 22 1
1 {} {0.453993938671 0.509015889182 0.350459576787} H8 23 1
1 {} {0.456386183451 0.505436512683 0.46887264146} H9 24 1
1 {} {0.433193717444 0.670954600474 0.523084986687} H10 25 1
1 {} {0.435015084195 0.656891162437 0.301127528359} H11 26 1
1 {} {0.221040856279 0.551352261727 0.633602220425} H12 27 1
1 {} {0.201307968223 0.532264500529 0.477898888256} H13 28 1
1 {} {0.158260497855 0.350957114809 0.687048125026} H14 29 1
1 {} {0.194181782339 0.446999454122 0.760798063452} H15 30 1
1 {} {0.26869043129 0.335289970563 0.547997593311} H16 31 1
1 {} {0.189646001439 0.303575089936 0.543392290357} H17 32 1
1 {} {0.250416905974 0.393334742397 0.38155358594} H18 33 1
1 {} {0.195516031119 0.380016241309 0.375503731391} H19 34 1
1 {} {0.123441454419 0.518569541674 0.695492670137} H20 35 1
1 {} {0.100957231474 0.465024492583 0.621961185995} H21 36 1
6 {} {0.590854505568 0.327594717984 0.309983107541} C4 37 1
14 {} {0.586088520064 0.361112187356 0.426949677618} Si6 38 1
14 {} {0.574915389332 0.23856051796 0.292035484851} Si7 39 1
8 {} {0.614707820345 0.312040140626 0.495019027337} O5 40 1
8 {} {0.608718228575 0.436102787392 0.431971672906} O6 41 1
6 {} {0.526827256675 0.369861027833 0.463591664039} C5 42 1
6 {} {0.514016378531 0.227868750293 0.268425924884} C6 43 1
8 {} {0.590166665487 0.199855285802 0.386317569413} O7 44 1
8 {} {0.60463798744 0.201563367177 0.212149922876} O8 45 1
14 {} {0.652449679342 0.481025312448 0.4606164235} Si8 46 1
7 {} {0.636977641065 0.562060098923 0.487771594567} N4 47 1
14 {} {0.643312124082 0.589683864352 0.597943406534} Si9 48 1
14 {} {0.613009056185 0.61574414296 0.408516844301} Si10 49 1
7 {} {0.624055541625 0.596642504459 0.299006763599} N5 50 1
7 {} {0.696339709598 0.609556434445 0.634326389714} N6 51 1
1 {} {0.571438555998 0.359356613774 0.26402131261} H22 52 1
1 {} {0.626188288032 0.332722923451 0.290392964947} H23 53 1
1 {} {0.613161451302 0.264935575737 0.477484918934} H24 54 1
1 {} {0.507704945544 0.402834389695 0.419018608703} H25 55 1
1 {} {0.525601702542 0.391326486792 0.531116730675} H26 56 1
1 {} {0.510037255616 0.320959388929 0.465942744011} H27 57 1
1 {} {0.504684737968 0.174764584022 0.263792689177} H28 58 1
1 {} {0.504756348574 0.252044605982 0.205077037722} H29 59 1
1 {} {0.493593355873 0.250770280934 0.321170546833} H30 60 1
1 {} {0.592884067094 0.151511248966 0.38407158732} H31 61 1
1 {} {0.591421245789 0.197497579782 0.15346711963} H32 62 1
1 {} {0.674476346758 0.452224954631 0.541312653631} H33 63 1
1 {} {0.684161132819 0.480608981489 0.383996641559} H34 64 1
1 {} {0.615922855416 0.651861738962 0.604745116572} H35 65 1
1 {} {0.627073927558 0.536765381704 0.659850279957} H36 66 1
1 {} {0.563284814306 0.61491836609 0.416335944621} H37 67 1
1 {} {0.630027846819 0.684586022311 0.426779117738} H38 68 1
1 {} {0.607750254275 0.557938256282 0.268986851184} H39 69 1
1 {} {0.655838457373 0.60001607856 0.274692113989} H40 70 1
1 {} {0.717531875726 0.572407462012 0.65217697176} H41 71 1
1 {} {0.713127961988 0.64853041152 0.607201860828} H42 72 1
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