iterations/neb0_image05_iter7.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_image05
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.356643086155 0.540594698721 0.42272214144} C1 1 1
14 {} {0.337608172805 0.50758842262 0.53374896925} Si1 2 1
14 {} {0.411790618543 0.582929568488 0.418447689339} Si2 3 1
8 {} {0.340849827606 0.56784329813 0.609002625338} O1 4 1
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6 {} {0.460754179936 0.525534432528 0.412159381968} C3 7 1
8 {} {0.413493898172 0.627102359509 0.513634418399} O3 8 1
8 {} {0.412177023309 0.63366979887 0.330652619661} O4 9 1
14 {} {0.232342956507 0.49122255472 0.556404041536} Si3 10 1
7 {} {0.212714306975 0.412478625606 0.587865506421} N1 11 1
14 {} {0.176678537579 0.408156519621 0.679733095744} Si4 12 1
14 {} {0.228317742087 0.34247172386 0.523885750279} Si5 13 1
7 {} {0.229519514419 0.35489257141 0.410302845109} N2 14 1
7 {} {0.12915853325 0.456490784368 0.672533597102} N3 15 1
1 {} {0.356199544512 0.500165195737 0.37267370704} H1 16 1
1 {} {0.331710607314 0.577739505509 0.400704327848} H2 17 1
1 {} {0.364641634995 0.600010154765 0.595953210259} H3 18 1
1 {} {0.365920107651 0.390621252112 0.520661258116} H4 19 1
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1 {} {0.492696159048 0.552785838544 0.411519712186} H7 22 1
1 {} {0.459443053178 0.49469054641 0.351369383831} H8 23 1
1 {} {0.461744000844 0.491379133283 0.469540135084} H9 24 1
1 {} {0.438729424198 0.656446052269 0.523877440718} H10 25 1
1 {} {0.440549772435 0.642433148573 0.301976734841} H11 26 1
1 {} {0.226574391512 0.536863065077 0.634426297185} H12 27 1
1 {} {0.206835261263 0.5177715658 0.478702491856} H13 28 1
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1 {} {0.199717316976 0.432494494106 0.761607298856} H15 30 1
1 {} {0.274231971658 0.320794667789 0.548814299288} H16 31 1
1 {} {0.195181515585 0.289073901299 0.544201684616} H17 32 1
1 {} {0.255967200107 0.378855722271 0.382361321211} H18 33 1
1 {} {0.201049033636 0.365526556826 0.376302168381} H19 34 1
1 {} {0.128976736414 0.504091391717 0.696307298871} H20 35 1
1 {} {0.106495712186 0.450531214257 0.622764404258} H21 36 1
6 {} {0.585315098559 0.342078997479 0.309194016077} C4 37 1
14 {} {0.580564365547 0.375579834884 0.426207015868} Si6 38 1
14 {} {0.569364519111 0.253017002207 0.291253475689} Si7 39 1
8 {} {0.609217719563 0.326537507044 0.494187905964} O5 40 1
8 {} {0.603156501033 0.450643756214 0.431136329643} O6 41 1
6 {} {0.521464074775 0.383958084605 0.462900034968} C5 42 1
6 {} {0.508468279166 0.242369948495 0.267631502841} C6 43 1
8 {} {0.584655984758 0.214347946563 0.385520169037} O7 44 1
8 {} {0.599088648156 0.215978803476 0.211364767279} O8 45 1
14 {} {0.646929796971 0.49551512038 0.45978273941} Si8 46 1
7 {} {0.631397889202 0.576538951897 0.4868740528} N4 47 1
14 {} {0.637819671851 0.604187744323 0.597181572414} Si9 48 1
14 {} {0.607529077017 0.630199173147 0.40773305673} Si10 49 1
7 {} {0.618508043876 0.611167492442 0.29809561093} N5 50 1
7 {} {0.690796777267 0.624003839558 0.633468791996} N6 51 1
1 {} {0.565900916152 0.373831575167 0.263209683979} H22 52 1
1 {} {0.620644757458 0.347206184206 0.289581219225} H23 53 1
1 {} {0.607620091633 0.279429877928 0.476693065055} H24 54 1
1 {} {0.502458015075 0.416767764286 0.41828594618} H25 55 1
1 {} {0.520087451685 0.405741868687 0.530160692938} H26 56 1
1 {} {0.50452600653 0.33526850239 0.465201425875} H27 57 1
1 {} {0.499141668598 0.189268838336 0.262985363089} H28 58 1
1 {} {0.499225040986 0.26653370025 0.204260028638} H29 59 1
1 {} {0.488046903283 0.265271534533 0.320373660452} H30 60 1
1 {} {0.587326545667 0.166009855637 0.383277485576} H31 61 1
1 {} {0.585882863106 0.211969776236 0.152659423375} H32 62 1
1 {} {0.668931993736 0.46671348142 0.540486975074} H33 63 1
1 {} {0.678637371214 0.49509698309 0.383176867997} H34 64 1
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1 {} {0.55776072583 0.629370981655 0.415528144188} H37 67 1
1 {} {0.624464536073 0.699052945464 0.426006049066} H38 68 1
1 {} {0.602230166181 0.572398466488 0.268180914279} H39 69 1
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1 {} {0.712000958612 0.58688210064 0.651373795603} H41 71 1
1 {} {0.707575593228 0.662999380435 0.606399451762} H42 72 1
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