./iterations/neb0_image08_iter22.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
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6 {} {0.371249052233 0.581446856229 0.411371999864} C1 1 1
14 {} {0.348348994118 0.554528626969 0.521674912484} Si1 2 1
14 {} {0.43238364642 0.59032291927 0.407312026189} Si2 3 1
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8 {} {0.445207479942 0.643015740167 0.325890199075} O4 9 1
14 {} {0.243063865317 0.557173405841 0.55617586807} Si3 10 1
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14 {} {0.200906118671 0.470915829061 0.697745420617} Si4 12 1
14 {} {0.223903561012 0.411526733729 0.515216967561} Si5 13 1
7 {} {0.217825448854 0.432528984178 0.404726009551} N2 14 1
7 {} {0.150461682228 0.509878523449 0.718081610427} N3 15 1
1 {} {0.361720641045 0.545398706354 0.359106800621} H1 16 1
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1 {} {0.186320260291 0.366853646159 0.541832869322} H17 32 1
1 {} {0.244833273052 0.447331471728 0.368805076365} H18 33 1
1 {} {0.189867568669 0.456099215034 0.382693013405} H19 34 1
1 {} {0.149708515921 0.559492375657 0.732899188424} H20 35 1
1 {} {0.1224794374 0.496154825864 0.684407287426} H21 36 1
6 {} {0.622043214044 0.612285595466 0.351073047211} C4 37 1
14 {} {0.579152146474 0.550713663896 0.389058110593} Si6 38 1
14 {} {0.614050904037 0.700178022317 0.388402272536} Si7 39 1
8 {} {0.532701335185 0.59601382364 0.383791790683} O5 40 1
8 {} {0.577037292809 0.485563883935 0.322201557257} O6 41 1
6 {} {0.587658695935 0.516835824189 0.504471505772} C5 42 1
6 {} {0.631572283785 0.71711349149 0.505586871677} C6 43 1
8 {} {0.559131933895 0.716536244192 0.376797420609} O7 44 1
8 {} {0.641110497363 0.749662225145 0.318414537908} O8 45 1
14 {} {0.57038504757 0.424460153956 0.249368631378} Si8 46 1
7 {} {0.582825647014 0.346216532287 0.292266246612} N4 47 1
14 {} {0.539227085339 0.289936567383 0.315876081488} Si9 48 1
14 {} {0.637439166948 0.32080252 0.317407578319} Si10 49 1
7 {} {0.678458428072 0.367043135511 0.266235768405} N5 50 1
7 {} {0.515377568938 0.24674033055 0.2286134043} N6 51 1
1 {} {0.655411529242 0.594098794133 0.369579052295} H22 52 1
1 {} {0.618794318771 0.612250021828 0.27769861137} H23 53 1
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1 {} {0.58805114851 0.55768401978 0.553639446846} H27 57 1
1 {} {0.626332956594 0.769907960514 0.523675613528} H28 58 1
1 {} {0.667162797093 0.705675655044 0.514808123898} H29 59 1
1 {} {0.612623602107 0.686520731595 0.553319705148} H30 60 1
1 {} {0.548154545542 0.762030001562 0.373644710652} H31 61 1
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