iterations/neb0_image07_iter23.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_image07
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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@data
6 {} {0.360279885393 0.530656991419 0.423280238227} C1 1 1
14 {} {0.341484834452 0.497380233848 0.534464624712} Si1 2 1
14 {} {0.414462404442 0.575661136435 0.417988723711} Si2 3 1
8 {} {0.344789651339 0.557659689937 0.609608923822} O1 4 1
8 {} {0.288598408701 0.47539493225 0.526408954982} O2 5 1
6 {} {0.37315198313 0.421373474379 0.569746323468} C2 6 1
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8 {} {0.416872424331 0.617901663744 0.514962729591} O3 8 1
8 {} {0.414986334628 0.625782180241 0.329229927702} O4 9 1
14 {} {0.236250057671 0.480919487995 0.556955688473} Si3 10 1
7 {} {0.216632993351 0.402199032027 0.588394060174} N1 11 1
14 {} {0.18063316975 0.397932849034 0.680284121443} Si4 12 1
14 {} {0.232210939063 0.332210246175 0.524392458461} Si5 13 1
7 {} {0.233428979056 0.344701106678 0.410812331155} N2 14 1
7 {} {0.133112555199 0.446287884554 0.673145692065} N3 15 1
1 {} {0.360253910501 0.490149098064 0.373272297826} H1 16 1
1 {} {0.335120973961 0.567334202728 0.40119174256} H2 17 1
1 {} {0.368583360569 0.589797792956 0.596547618732} H3 18 1
1 {} {0.369819690569 0.380349333193 0.521287798232} H4 19 1
1 {} {0.360501551485 0.403262818796 0.634256210804} H5 20 1
1 {} {0.408872659604 0.432294714471 0.57801796514} H6 21 1
1 {} {0.496067109645 0.544301112884 0.412241709011} H7 22 1
1 {} {0.461605855734 0.487260527008 0.35210799376} H8 23 1
1 {} {0.462120137404 0.487227514057 0.470546187571} H9 24 1
1 {} {0.442647486273 0.646423930723 0.524468415498} H10 25 1
1 {} {0.44428196418 0.632448276638 0.302898040559} H11 26 1
1 {} {0.230496447508 0.526591159822 0.634959073722} H12 27 1
1 {} {0.210766401966 0.507517689751 0.479238990044} H13 28 1
1 {} {0.167738244831 0.326248168413 0.688486195941} H14 29 1
1 {} {0.20367272145 0.422318639098 0.762154623176} H15 30 1
1 {} {0.278139328535 0.310530594055 0.549301512467} H16 31 1
1 {} {0.199085604486 0.278805961015 0.544765105162} H17 32 1
1 {} {0.259887322467 0.368633008758 0.382870519025} H18 33 1
1 {} {0.204941304318 0.355339811154 0.376823759527} H19 34 1
1 {} {0.132921934695 0.493898719379 0.696836348761} H20 35 1
1 {} {0.110427248239 0.44029786225 0.623393226455} H21 36 1
6 {} {0.581625991655 0.35219323889 0.308441096415} C4 37 1
14 {} {0.57819791214 0.384176528147 0.426315089147} Si6 38 1
14 {} {0.565444990153 0.263220267537 0.290557510053} Si7 39 1
8 {} {0.607436420657 0.335914422666 0.494018276913} O5 40 1
8 {} {0.599087909731 0.460609079715 0.430533177149} O6 41 1
6 {} {0.51938212509 0.389109537771 0.464373753491} C5 42 1
6 {} {0.504560121046 0.252655786691 0.267056111842} C6 43 1
8 {} {0.58054484703 0.224624539975 0.384942984472} O7 44 1
8 {} {0.595116757708 0.226194870966 0.210719813692} O8 45 1
14 {} {0.642875910019 0.505569352917 0.45921146542} Si8 46 1
7 {} {0.627378960228 0.586628166666 0.486397847736} N4 47 1
14 {} {0.63397688972 0.614466885124 0.596739951473} Si9 48 1
14 {} {0.603537820908 0.640399767903 0.407339570635} Si10 49 1
7 {} {0.614732359234 0.620921982419 0.297938237576} N5 50 1
7 {} {0.68681931153 0.634403450463 0.63342929283} N6 51 1
1 {} {0.562049836025 0.38413804853 0.262886329428} H22 52 1
1 {} {0.616849181552 0.357423953829 0.288620668664} H23 53 1
1 {} {0.604003526096 0.288994937034 0.476474985889} H24 54 1
1 {} {0.50213122365 0.420119389301 0.415207423974} H25 55 1
1 {} {0.516830614483 0.414428936677 0.529513668628} H26 56 1
1 {} {0.501500650976 0.340981843914 0.46672519386} H27 57 1
1 {} {0.495306086338 0.199512378395 0.262482822386} H28 58 1
1 {} {0.495247150332 0.276740000724 0.203681873938} H29 59 1
1 {} {0.48415679587 0.275426813084 0.319916641076} H30 60 1
1 {} {0.583487210256 0.176308023696 0.382665675694} H31 61 1
1 {} {0.581950275 0.222210230627 0.151961083719} H32 62 1
1 {} {0.664991345624 0.476964685297 0.539814536441} H33 63 1
1 {} {0.674644355811 0.505326581199 0.382544792865} H34 64 1
1 {} {0.606453078796 0.676460528532 0.603059989976} H35 65 1
1 {} {0.61759309928 0.561474882153 0.658049778085} H36 66 1
1 {} {0.553725845632 0.639668304457 0.414794807085} H37 67 1
1 {} {0.620496505092 0.709318332546 0.42517290594} H38 68 1
1 {} {0.598273042881 0.58283714595 0.267493493706} H39 69 1
1 {} {0.646234186263 0.624761154439 0.27344287352} H40 70 1
1 {} {0.708181184268 0.597032378823 0.65085498667} H41 71 1
1 {} {0.703776838996 0.673427572263 0.605903546119} H42 72 1
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