./iterations/neb0_image02_iter4.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_image02
@Columns AsymmetricAtom
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@data
6 {} {0.359985090906 0.551475079551 0.413653628206} C1 1 1
14 {} {0.33669922628 0.524822707817 0.524369222633} Si1 2 1
14 {} {0.421660115541 0.562296671915 0.409265104687} Si2 3 1
8 {} {0.349854683251 0.58157632016 0.600359636282} O1 4 1
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8 {} {0.434581488256 0.597294938926 0.508129281748} O3 8 1
8 {} {0.434667766989 0.6136624078 0.326138504582} O4 9 1
14 {} {0.2313096898 0.527559146836 0.558622965796} Si3 10 1
7 {} {0.211615151351 0.44946753393 0.59279501583} N1 11 1
14 {} {0.189171536778 0.441167482897 0.70024733399} Si4 12 1
14 {} {0.212169767113 0.381781299807 0.517752410585} Si5 13 1
7 {} {0.206112194294 0.403182087531 0.407411635777} N2 14 1
7 {} {0.138727201434 0.480232894197 0.720318462238} N3 15 1
1 {} {0.349979813757 0.515730278935 0.361355737713} H1 16 1
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1 {} {0.443295014665 0.457802955972 0.33158513103} H8 23 1
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1 {} {0.255481943424 0.345275503815 0.523564415071} H16 31 1
1 {} {0.174597090453 0.337089991859 0.544318736879} H17 32 1
1 {} {0.233111355695 0.417628009608 0.371224958082} H18 33 1
1 {} {0.178074492116 0.426365384269 0.385092371095} H19 34 1
1 {} {0.137952113876 0.52982101075 0.735412628657} H20 35 1
1 {} {0.110681088401 0.466481387953 0.686826217645} H21 36 1
6 {} {0.630831515892 0.641185739849 0.349324262152} C4 37 1
14 {} {0.587752620978 0.578678042678 0.386748449769} Si6 38 1
14 {} {0.625169837928 0.72969190109 0.385822589488} Si7 39 1
8 {} {0.53745021828 0.614360401635 0.381304825881} O5 40 1
8 {} {0.588498982804 0.514202917475 0.319631579174} O6 41 1
6 {} {0.598787748091 0.546727202955 0.501612203496} C5 42 1
6 {} {0.643337406368 0.746735652964 0.503015094218} C6 43 1
8 {} {0.570335209367 0.744509852857 0.374275127417} O7 44 1
8 {} {0.653034223307 0.778989876594 0.315998096049} O8 45 1
14 {} {0.582110914903 0.453799617863 0.246693498831} Si8 46 1
7 {} {0.594600602062 0.375746892732 0.289708620322} N4 47 1
14 {} {0.550974680875 0.319400843682 0.313117551541} Si9 48 1
14 {} {0.649153327978 0.350392467639 0.314960038882} Si10 49 1
7 {} {0.690263137663 0.396510178129 0.263841404339} N5 50 1
7 {} {0.52697751115 0.276226417913 0.226335562502} N6 51 1
1 {} {0.664230208207 0.622865100717 0.36811172921} H22 52 1
1 {} {0.630089981831 0.64199480875 0.275679285505} H23 53 1
1 {} {0.5397195985 0.663388518779 0.376389288322} H24 54 1
1 {} {0.630902519684 0.520165993207 0.504314054774} H25 55 1
1 {} {0.572693518524 0.511183005854 0.521959255891} H26 56 1
1 {} {0.599708009424 0.587251021282 0.551234283183} H27 57 1
1 {} {0.638075169706 0.799518825699 0.521213472269} H28 58 1
1 {} {0.678930107351 0.735345306903 0.512412297589} H29 59 1
1 {} {0.624356057834 0.71618814016 0.550794255674} H30 60 1
1 {} {0.559903951515 0.79037975135 0.371425458879} H31 61 1
1 {} {0.670867718668 0.814758552699 0.34110465084} H32 62 1
1 {} {0.534456649776 0.451910035426 0.217993372616} H33 63 1
1 {} {0.611315099787 0.469888082042 0.169211329796} H34 64 1
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1 {} {0.658448591741 0.356447894162 0.412462596804} H37 67 1
1 {} {0.652941094186 0.278961595172 0.28688478517} H38 68 1
1 {} {0.703435468473 0.437378049882 0.294143608075} H39 69 1
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1 {} {0.504923227022 0.299626958617 0.185345456701} H41 71 1
1 {} {0.544498616699 0.240901840789 0.192419532113} H42 72 1
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