./iterations/neb0_image08_iter8.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
#MD System 2.0
@Title neb0_image08
@Columns AsymmetricAtom
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Connections string {{}}
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Name string {{}}
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6 {} {0.371430497885 0.580709973125 0.411281363302} C1 1 1
14 {} {0.348255876567 0.553852092352 0.521911863782} Si1 2 1
14 {} {0.433388507511 0.589448302642 0.40689438255} Si2 3 1
8 {} {0.361333801315 0.610689116773 0.597945240747} O1 4 1
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8 {} {0.445535282561 0.643671014025 0.32408177129} O4 9 1
14 {} {0.242812172565 0.556611265939 0.556207895168} Si3 10 1
7 {} {0.223115589724 0.47856308829 0.590418926596} N1 11 1
14 {} {0.200661034831 0.470281429518 0.697837864574} Si4 12 1
14 {} {0.223694875029 0.410914999329 0.515312281012} Si5 13 1
7 {} {0.217612048538 0.432166961878 0.404928539549} N2 14 1
7 {} {0.150219477524 0.50932257379 0.717987969366} N3 15 1
1 {} {0.361538486301 0.544837903641 0.359030789586} H1 16 1
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1 {} {0.457044755154 0.473903529832 0.44800302677} H9 24 1
1 {} {0.476783648234 0.640647200866 0.512347353059} H10 25 1
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1 {} {0.266978669175 0.374343383115 0.521158180407} H16 31 1
1 {} {0.186095259836 0.366196620087 0.541912888541} H17 32 1
1 {} {0.244609415731 0.446723154757 0.368836794529} H18 33 1
1 {} {0.189594357845 0.455473318553 0.382707530678} H19 34 1
1 {} {0.149463826292 0.558920322572 0.733003506406} H20 35 1
1 {} {0.122200067478 0.495570351683 0.684429945629} H21 36 1
6 {} {0.619699644569 0.612157383578 0.351683796261} C4 37 1
14 {} {0.57834915634 0.54975995368 0.389266183444} Si6 38 1
14 {} {0.61380638304 0.700582102827 0.388252668992} Si7 39 1
8 {} {0.531993704281 0.590357874173 0.383446325603} O5 40 1
8 {} {0.57699242151 0.485374390729 0.321937449932} O6 41 1
6 {} {0.587269322638 0.517610453465 0.504103390778} C5 42 1
6 {} {0.631817866303 0.717660330606 0.505412918177} C6 43 1
8 {} {0.558738149096 0.715611547176 0.376702359626} O7 44 1
8 {} {0.641485373242 0.7499502352 0.318435038225} O8 45 1
14 {} {0.570485993655 0.424701877092 0.249008910884} Si8 46 1
7 {} {0.583118494886 0.346698494479 0.292099544287} N4 47 1
14 {} {0.539418264837 0.290331923721 0.315715927459} Si9 48 1
14 {} {0.637670013115 0.321288139589 0.317406378053} Si10 49 1
7 {} {0.678741354547 0.367467054831 0.266220921114} N5 50 1
7 {} {0.515520251608 0.247186635072 0.228632737102} N6 51 1
1 {} {0.652815809005 0.593872104029 0.370387833283} H22 52 1
1 {} {0.618586722907 0.612894982623 0.278070255063} H23 53 1
1 {} {0.530243428319 0.640440957121 0.378822244088} H24 54 1
1 {} {0.619370561844 0.491122504623 0.506712156556} H25 55 1
1 {} {0.561149383531 0.482144355387 0.524327033552} H26 56 1
1 {} {0.588191285804 0.558186260632 0.553636375025} H27 57 1
1 {} {0.626571682341 0.770428432078 0.523606430392} H28 58 1
1 {} {0.667403960811 0.706251591859 0.514786642762} H29 59 1
1 {} {0.612862595872 0.687098795352 0.553209230736} H30 60 1
1 {} {0.548391226369 0.761438832356 0.37379294496} H31 61 1
1 {} {0.659344107109 0.785648531688 0.34343117268} H32 62 1
1 {} {0.522957763668 0.422835498087 0.220379765497} H33 63 1
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1 {} {0.641455131581 0.249888877939 0.289256914985} H38 68 1
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1 {} {0.493407988711 0.270491572888 0.187766464033} H41 71 1
1 {} {0.532984744567 0.211800030576 0.194783328793} H42 72 1
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