./iterations/neb0_image07_iter6.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_image07
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6 {} {0.369477088047 0.575524166787 0.411684411715} C1 1 1
14 {} {0.346172764417 0.548784616773 0.522342761921} Si1 2 1
14 {} {0.431353538812 0.585576882246 0.407263640874} Si2 3 1
8 {} {0.359343660319 0.605563038782 0.598400289377} O1 4 1
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8 {} {0.443854038695 0.638161282986 0.324155098827} O4 9 1
14 {} {0.2407841565 0.551495344963 0.556680055111} Si3 10 1
7 {} {0.221105425213 0.473464531767 0.590830211004} N1 11 1
14 {} {0.198633028041 0.465192763704 0.698221236777} Si4 12 1
14 {} {0.221660682922 0.405816090484 0.515753960546} Si5 13 1
7 {} {0.215602075796 0.427155820083 0.405414484341} N2 14 1
7 {} {0.148212656265 0.504206656941 0.718373999589} N3 15 1
1 {} {0.359486645248 0.539727666682 0.359410161304} H1 16 1
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1 {} {0.26496734306 0.369256619288 0.521582521708} H16 31 1
1 {} {0.184081577662 0.361086035722 0.542342976291} H17 32 1
1 {} {0.242591998473 0.44161973333 0.369260225258} H18 33 1
1 {} {0.187563391318 0.450361955214 0.383120833701} H19 34 1
1 {} {0.147441347014 0.553799534456 0.733430864671} H20 35 1
1 {} {0.120172161473 0.49046803085 0.68485023019} H21 36 1
6 {} {0.621415474093 0.617220696647 0.351277166237} C4 37 1
14 {} {0.578958430235 0.554698872954 0.388767776548} Si6 38 1
14 {} {0.615767867434 0.705710928171 0.387806192179} Si7 39 1
8 {} {0.529754347456 0.592271043804 0.383243301158} O5 40 1
8 {} {0.579033576049 0.490320910368 0.321570227165} O6 41 1
6 {} {0.589280859635 0.522751181828 0.503614627263} C5 42 1
6 {} {0.633840404177 0.722748817863 0.504993773438} C6 43 1
8 {} {0.560785235331 0.720538751848 0.376266908449} O7 44 1
8 {} {0.643539988463 0.75499738841 0.317998206098} O8 45 1
14 {} {0.572556109702 0.429776186408 0.248626334617} Si8 46 1
7 {} {0.585132928949 0.351762991742 0.291686624546} N4 47 1
14 {} {0.541466830864 0.295415549165 0.315164003276} Si9 48 1
14 {} {0.639665984074 0.326376666076 0.31694965238} Si10 49 1
7 {} {0.680762874628 0.372527311647 0.265812182746} N5 50 1
7 {} {0.517509438337 0.252252112935 0.228261270223} N6 51 1
1 {} {0.654750359896 0.598894723901 0.370059352013} H22 52 1
1 {} {0.620601559661 0.618001245421 0.277643583998} H23 53 1
1 {} {0.531001518025 0.640921325947 0.378524205059} H24 54 1
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1 {} {0.563194296377 0.487217893035 0.523922834552} H26 56 1
1 {} {0.590217012754 0.563269953645 0.553221332697} H27 57 1
1 {} {0.628588577167 0.7755268707 0.523187514941} H28 58 1
1 {} {0.669433695166 0.711353216253 0.514380989441} H29 59 1
1 {} {0.614873639838 0.692197546025 0.552780388028} H30 60 1
1 {} {0.550405554096 0.76643104089 0.373388934863} H31 61 1
1 {} {0.661373492385 0.79076079764 0.34305517552} H32 62 1
1 {} {0.524978312455 0.427928471201 0.219966715273} H33 63 1
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1 {} {0.495427807331 0.275629921201 0.187326388277} H41 71 1
1 {} {0.535013172677 0.216899036938 0.194382678475} H42 72 1
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