iterations/neb0_image08_iter28.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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@data
6 {} {0.362125615263 0.525979625071 0.423392224694} C1 1 1
14 {} {0.343473371812 0.492161763457 0.534704018972} Si1 2 1
14 {} {0.415949266545 0.572133415878 0.417459191324} Si2 3 1
8 {} {0.346791363121 0.552288489971 0.610006371465} O1 4 1
8 {} {0.290591433007 0.469850742231 0.526711871018} O2 5 1
6 {} {0.375186048129 0.41611877885 0.569953835916} C2 6 1
6 {} {0.464649506524 0.516091173606 0.41135257163} C3 7 1
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8 {} {0.416280016667 0.62260598339 0.329001092817} O4 9 1
14 {} {0.238277649337 0.475583848443 0.557223007014} Si3 10 1
7 {} {0.218627916237 0.396916130679 0.588698780426} N1 11 1
14 {} {0.182625028425 0.392659072407 0.680617928231} Si4 12 1
14 {} {0.234228835116 0.326911887872 0.524683979107} Si5 13 1
7 {} {0.235461437596 0.33918328175 0.411056761387} N2 14 1
7 {} {0.135082179967 0.440920017088 0.673475839729} N3 15 1
1 {} {0.362363628795 0.485253543744 0.373552822067} H1 16 1
1 {} {0.336427247063 0.561985019353 0.401311191821} H2 17 1
1 {} {0.370551828283 0.584497551063 0.596900683586} H3 18 1
1 {} {0.371841038712 0.37506734433 0.521551199657} H4 19 1
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1 {} {0.497777465102 0.540477029583 0.412416431714} H7 22 1
1 {} {0.462601640156 0.48337946758 0.351966208811} H8 23 1
1 {} {0.462327322934 0.484510079339 0.471227464931} H9 24 1
1 {} {0.444560055199 0.641254751858 0.524917586013} H10 25 1
1 {} {0.445856672964 0.627400793233 0.303308110031} H11 26 1
1 {} {0.232536122661 0.521320233899 0.635191512247} H12 27 1
1 {} {0.212798246209 0.502252749427 0.479507499714} H13 28 1
1 {} {0.169762497592 0.320936032795 0.688811007917} H14 29 1
1 {} {0.205685940193 0.417068404681 0.762463936316} H15 30 1
1 {} {0.280172407434 0.305265728003 0.549624541109} H16 31 1
1 {} {0.201088841197 0.273525135425 0.545074948778} H17 32 1
1 {} {0.26186853451 0.363334727459 0.383233361703} H18 33 1
1 {} {0.206977817358 0.350024328608 0.37718316016} H19 34 1
1 {} {0.134916667181 0.488544068332 0.697117374385} H20 35 1
1 {} {0.112437549047 0.435004501921 0.623658733716} H21 36 1
6 {} {0.579857830541 0.35732917247 0.308199779354} C4 37 1
14 {} {0.576746407934 0.388337580907 0.427178990683} Si6 38 1
14 {} {0.56350284212 0.268464314685 0.2902163799} Si7 39 1
8 {} {0.607271935269 0.3404046756 0.493342682727} O5 40 1
8 {} {0.597044162415 0.465378893001 0.430544969443} O6 41 1
6 {} {0.518056855425 0.392034274136 0.464645720579} C5 42 1
6 {} {0.502549945453 0.257924042392 0.266796748079} C6 43 1
8 {} {0.578741808558 0.229869017371 0.384582017083} O7 44 1
8 {} {0.593185234189 0.231617713043 0.210309891738} O8 45 1
14 {} {0.640887610075 0.510848792363 0.459077971643} Si8 46 1
7 {} {0.625295535473 0.591956260024 0.48581744597} N4 47 1
14 {} {0.632072091226 0.619847659996 0.596497430721} Si9 48 1
14 {} {0.60151915742 0.645714669027 0.407234599694} Si10 49 1
7 {} {0.612707711202 0.626203186524 0.297564840852} N5 50 1
7 {} {0.684790219075 0.639712330981 0.633004533215} N6 51 1
1 {} {0.560072110968 0.389490050069 0.263096312748} H22 52 1
1 {} {0.61502857665 0.362614219031 0.287616708884} H23 53 1
1 {} {0.602397678624 0.293526929991 0.476728444499} H24 54 1
1 {} {0.501648549025 0.42210541044 0.413522417899} H25 55 1
1 {} {0.515201703043 0.418315425138 0.528925657568} H26 56 1
1 {} {0.500475235285 0.343757208052 0.468358673583} H27 57 1
1 {} {0.493267424079 0.204800422626 0.262184933407} H28 58 1
1 {} {0.493241611122 0.282032035577 0.20342285922} H29 59 1
1 {} {0.482148290322 0.280727612861 0.319634631936} H30 60 1
1 {} {0.581485216518 0.181545748548 0.382408183435} H31 61 1
1 {} {0.579930688512 0.227502373875 0.151676914377} H32 62 1
1 {} {0.662924835407 0.482182502297 0.539553330464} H33 63 1
1 {} {0.67253043544 0.510540283086 0.382368865154} H34 64 1
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1 {} {0.615567423214 0.566687161083 0.657914486517} H36 66 1
1 {} {0.551746267706 0.644905724014 0.41452718309} H37 67 1
1 {} {0.618472510506 0.71453633209 0.4249167876} H38 68 1
1 {} {0.596194066225 0.588002935062 0.267090003202} H39 69 1
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1 {} {0.706092830886 0.602480284283 0.6504860173} H41 71 1
1 {} {0.701725674226 0.678610800818 0.605683386707} H42 72 1
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