iterations/neb0_image08_iter8.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_image08
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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6 {} {0.362324540083 0.525774197378 0.423574499058} C1 1 1
14 {} {0.34323357264 0.492777932709 0.534572073579} Si1 2 1
14 {} {0.416625668328 0.569684879685 0.418876389191} Si2 3 1
8 {} {0.346542971277 0.552985367951 0.609816271854} O1 4 1
8 {} {0.290310442321 0.470685843639 0.526649516105} O2 5 1
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6 {} {0.464775141692 0.514353326308 0.412045544288} C3 7 1
8 {} {0.419146127385 0.612287776282 0.51466263463} O3 8 1
8 {} {0.417608565308 0.619369919801 0.33093167747} O4 9 1
14 {} {0.23801855867 0.476340648963 0.557245140614} Si3 10 1
7 {} {0.218389021442 0.397659093996 0.588694846804} N1 11 1
14 {} {0.182333917291 0.393367079128 0.680536626597} Si4 12 1
14 {} {0.233979576142 0.327640722683 0.524676559438} Si5 13 1
7 {} {0.235201081435 0.339970059657 0.411077810609} N2 14 1
7 {} {0.134808591961 0.44164283571 0.673385397045} N3 15 1
1 {} {0.361859097704 0.485344434683 0.373478632642} H1 16 1
1 {} {0.337386002262 0.562884648428 0.401537760715} H2 17 1
1 {} {0.370302827685 0.585188687576 0.596770516157} H3 18 1
1 {} {0.371578488493 0.375791671661 0.521493859537} H4 19 1
1 {} {0.362247554979 0.398730533512 0.634475561941} H5 20 1
1 {} {0.410632962817 0.427767413443 0.578287669708} H6 21 1
1 {} {0.497962598587 0.538000932952 0.412601895173} H7 22 1
1 {} {0.464328394941 0.481594577984 0.352898268216} H8 23 1
1 {} {0.465302483027 0.481024941168 0.469704332326} H9 24 1
1 {} {0.444375669622 0.641633073562 0.524644178964} H10 25 1
1 {} {0.446180727369 0.627662719482 0.302937599304} H11 26 1
1 {} {0.232249853679 0.522043286085 0.635235629533} H12 27 1
1 {} {0.212515467907 0.502952756916 0.479522574942} H13 28 1
1 {} {0.169466263025 0.321634282528 0.688679126728} H14 29 1
1 {} {0.205386144434 0.417682084867 0.762431814098} H15 30 1
1 {} {0.279900521304 0.305974161287 0.549631156496} H16 31 1
1 {} {0.20084640234 0.274255256344 0.545029245519} H17 32 1
1 {} {0.261623264098 0.364035478039 0.383195303312} H18 33 1
1 {} {0.206724549086 0.350702016792 0.377142873252} H19 34 1
1 {} {0.134643229222 0.489236553179 0.697116023673} H20 35 1
1 {} {0.112161871236 0.435711855082 0.623586906964} H21 36 1
6 {} {0.579648169685 0.356932659534 0.308351355209} C4 37 1
14 {} {0.57537252362 0.38964879052 0.425745510227} Si6 38 1
14 {} {0.563714106143 0.267822197567 0.290458773703} Si7 39 1
8 {} {0.604010587976 0.34122392577 0.493456599907} O5 40 1
8 {} {0.597301480191 0.4653925381 0.430213007578} O6 41 1
6 {} {0.517791407291 0.395238338403 0.463696338088} C5 42 1
6 {} {0.502802356213 0.257215584182 0.266796780902} C6 43 1
8 {} {0.578998946287 0.22915119306 0.384687188194} O7 44 1
8 {} {0.593399369577 0.230887604572 0.210527334363} O8 45 1
14 {} {0.641290409553 0.510223570813 0.459051586465} Si8 46 1
7 {} {0.625644821061 0.591327741705 0.485842954667} N4 47 1
14 {} {0.632350106918 0.619169638981 0.596530767138} Si9 48 1
14 {} {0.601840361576 0.645074735012 0.407343766969} Si10 49 1
7 {} {0.612881001827 0.625925440728 0.29729862188} N5 50 1
7 {} {0.685092133057 0.63886076567 0.632701153866} N6 51 1
1 {} {0.560228767731 0.388677139238 0.26229526239} H22 52 1
1 {} {0.614979705674 0.362062483774 0.288733560287} H23 53 1
1 {} {0.601975888118 0.29421890698 0.475910707024} H24 54 1
1 {} {0.499720905567 0.426101731189 0.417298053415} H25 55 1
1 {} {0.514698177962 0.419945640664 0.528425644069} H26 56 1
1 {} {0.498970439271 0.348709822775 0.464770178195} H27 57 1
1 {} {0.493467644583 0.204113085284 0.262165201272} H28 58 1
1 {} {0.493548446483 0.281358242724 0.203408881989} H29 59 1
1 {} {0.482388943923 0.280082373575 0.319577575448} H30 60 1
1 {} {0.581668692576 0.180824286068 0.382453489917} H31 61 1
1 {} {0.580209699249 0.226804324173 0.15181776883} H32 62 1
1 {} {0.663268291714 0.481550260982 0.53969687119} H33 63 1
1 {} {0.672963159587 0.509950922334 0.382350276679} H34 64 1
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1 {} {0.615839705985 0.566065073003 0.65815281886} H36 66 1
1 {} {0.552053962407 0.644175307509 0.414635142107} H37 67 1
1 {} {0.618786139535 0.713921026075 0.425106845047} H38 68 1
1 {} {0.596554231162 0.587209483384 0.267246864743} H39 69 1
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1 {} {0.706299336289 0.601753104852 0.650513499692} H41 71 1
1 {} {0.701890092823 0.677800733092 0.605598676276} H42 72 1
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