./iterations/neb0_image06_iter35.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_image06
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6 {} {0.367292780515 0.571108502373 0.412419562983} C1 1 1
14 {} {0.344301462592 0.544527435035 0.522884097616} Si1 2 1
14 {} {0.428868330375 0.580652329089 0.407988085766} Si2 3 1
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8 {} {0.440996332869 0.633224862129 0.325381920374} O4 9 1
14 {} {0.239086777002 0.547401241023 0.556912454278} Si3 10 1
7 {} {0.219479948248 0.469323177647 0.591092016891} N1 11 1
14 {} {0.197081586359 0.461025688363 0.698591493993} Si4 12 1
14 {} {0.219996777601 0.401602205583 0.515974805318} Si5 13 1
7 {} {0.213903604328 0.422576125406 0.40544550033} N2 14 1
7 {} {0.146615538695 0.499986032522 0.718922608024} N3 15 1
1 {} {0.357753933585 0.535334473047 0.359727919415} H1 16 1
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1 {} {0.182376668606 0.357060724107 0.54266565224} H17 32 1
1 {} {0.240943598507 0.437496390315 0.36965701757} H18 33 1
1 {} {0.185970937936 0.446283426914 0.383484538074} H19 34 1
1 {} {0.14584486978 0.549655127045 0.733690455695} H20 35 1
1 {} {0.118603173281 0.486239971285 0.685267337522} H21 36 1
6 {} {0.624619477768 0.621694528619 0.350728794718} C4 37 1
14 {} {0.581357743963 0.56003922326 0.388526929233} Si6 38 1
14 {} {0.618060611904 0.710107335857 0.387430998513} Si7 39 1
8 {} {0.533184410446 0.601320854606 0.383495772685} O5 40 1
8 {} {0.580528709249 0.495507876795 0.321021927068} O6 41 1
6 {} {0.591316976831 0.527056610759 0.503276519606} C5 42 1
6 {} {0.635578319272 0.727020442943 0.504840672918} C6 43 1
8 {} {0.563196282689 0.725608578699 0.376083059113} O7 44 1
8 {} {0.645235566325 0.759767080933 0.317354228494} O8 45 1
14 {} {0.574264188281 0.434589777919 0.248682757154} Si8 46 1
7 {} {0.586733442888 0.356315305035 0.291646224293} N4 47 1
14 {} {0.54310298291 0.299854774626 0.314817354671} Si9 48 1
14 {} {0.641294485355 0.330819374194 0.316723136151} Si10 49 1
7 {} {0.682254492241 0.377071717359 0.26539136651} N5 50 1
7 {} {0.519330895646 0.25671812934 0.227744338285} N6 51 1
1 {} {0.658251130268 0.604007166603 0.368668544198} H22 52 1
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1 {} {0.564814659596 0.491929553472 0.522729257127} H26 56 1
1 {} {0.591948816289 0.567536665922 0.5529431383} H27 57 1
1 {} {0.630249385439 0.779801917616 0.522902288131} H28 58 1
1 {} {0.671140354644 0.715565686286 0.514174270419} H29 59 1
1 {} {0.616528136482 0.696408064212 0.55244589212} H30 60 1
1 {} {0.552001055926 0.771019489608 0.37285516721} H31 61 1
1 {} {0.663138087013 0.795394082511 0.34251854} H32 62 1
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1 {} {0.645202806752 0.259397968684 0.288511737549} H38 68 1
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1 {} {0.496955782042 0.279691709121 0.187001998159} H41 71 1
1 {} {0.536715411184 0.221096892354 0.194017150185} H42 72 1
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