./iterations/neb0_image08_iter19.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 {} {0.371386009928 0.581186930607 0.41134179973} C1 1 1
14 {} {0.348252807021 0.554276625887 0.521677676152} Si1 2 1
14 {} {0.432678076493 0.590265653495 0.407145107092} Si2 3 1
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8 {} {0.445367978985 0.643166860931 0.325435366532} O4 9 1
14 {} {0.242933001787 0.556935397654 0.556232818927} Si3 10 1
7 {} {0.223285258431 0.478977866889 0.590363615598} N1 11 1
14 {} {0.200810501178 0.470692279681 0.697757333419} Si4 12 1
14 {} {0.223815325294 0.411319886471 0.515248461064} Si5 13 1
7 {} {0.217759803562 0.432389863429 0.404792726383} N2 14 1
7 {} {0.150370334007 0.509686102677 0.718058998496} N3 15 1
1 {} {0.361658097551 0.545188294179 0.359082771836} H1 16 1
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1 {} {0.186240312365 0.366609816657 0.541861253744} H17 32 1
1 {} {0.244746721639 0.447108664675 0.368819923667} H18 33 1
1 {} {0.189763801235 0.455875703911 0.382695972176} H19 34 1
1 {} {0.149619311397 0.559276183651 0.732934825471} H20 35 1
1 {} {0.122377469033 0.495941831768 0.684412897019} H21 36 1
6 {} {0.62124843875 0.612290979397 0.351224260569} C4 37 1
14 {} {0.579007387908 0.550383437992 0.389109452228} Si6 38 1
14 {} {0.61387818605 0.700289074747 0.388358612023} Si7 39 1
8 {} {0.532542583931 0.593815630701 0.383671678677} O5 40 1
8 {} {0.577014996651 0.485408860068 0.322066948029} O6 41 1
6 {} {0.587516836136 0.517064293295 0.504451540707} C5 42 1
6 {} {0.631660150444 0.71730150074 0.505512634248} C6 43 1
8 {} {0.558974500422 0.716174222022 0.37677240807} O7 44 1
8 {} {0.641239811049 0.749737523416 0.318443301352} O8 45 1
14 {} {0.570436670036 0.424529453359 0.249198490214} Si8 46 1
7 {} {0.582914351109 0.346364914048 0.292206288129} N4 47 1
14 {} {0.539316817203 0.290100655961 0.315863290988} Si9 48 1
14 {} {0.637530285753 0.320974750164 0.317397017477} Si10 49 1
7 {} {0.678558387961 0.36719101078 0.266234091061} N5 50 1
7 {} {0.515423409941 0.246873310878 0.228543044483} N6 51 1
1 {} {0.654418419233 0.593972612643 0.369930988827} H22 52 1
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1 {} {0.588090871061 0.557873050289 0.553610390391} H27 57 1
1 {} {0.626419874909 0.770101484894 0.523648774105} H28 58 1
1 {} {0.667248352546 0.70588603466 0.514794193762} H29 59 1
1 {} {0.612711759999 0.686732855236 0.553274224109} H30 60 1
1 {} {0.548231416314 0.761793913697 0.373706245113} H31 61 1
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1 {} {0.532837600132 0.211443722238 0.194820333547} H42 72 1
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