iterations/neb0_image02_iter13.sci output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image02
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
@end
@data
6 {} {0.351095399687 0.555071569963 0.421937992348} C1 1 1
14 {} {0.331977656233 0.522021544698 0.532966841627} Si1 2 1
14 {} {0.406312018213 0.597212109687 0.417713752193} Si2 3 1
8 {} {0.335351709057 0.582327385975 0.608231638294} O1 4 1
8 {} {0.279160796465 0.500043132104 0.524972277671} O2 5 1
6 {} {0.36370124036 0.446093894865 0.568357161412} C2 6 1
6 {} {0.455420537215 0.539618819466 0.411439616822} C3 7 1
8 {} {0.407951098977 0.641640220645 0.512793245756} O3 8 1
8 {} {0.406672020907 0.648145458832 0.329920864521} O4 9 1
14 {} {0.226746045232 0.505647418596 0.555631585722} Si3 10 1
7 {} {0.207174786441 0.426947977403 0.587047251555} N1 11 1
14 {} {0.171135336556 0.422686545736 0.678901509549} Si4 12 1
14 {} {0.222771384154 0.356963886232 0.522993985482} Si5 13 1
7 {} {0.22399659485 0.369267982219 0.409411790538} N2 14 1
7 {} {0.123605056853 0.470970594523 0.671798017477} N3 15 1
1 {} {0.350659152151 0.514659820765 0.37188471541} H1 16 1
1 {} {0.326163905306 0.59222452206 0.399885856073} H2 17 1
1 {} {0.359093823919 0.614473987282 0.595145224555} H3 18 1
1 {} {0.360374367258 0.40509537976 0.519861453016} H4 19 1
1 {} {0.351031689818 0.428030372348 0.632868042346} H5 20 1
1 {} {0.399414735169 0.457089575241 0.576633601113} H6 21 1
1 {} {0.487199374802 0.56726165482 0.410670773137} H7 22 1
1 {} {0.453994265013 0.509023608837 0.350470318323} H8 23 1
1 {} {0.456386002927 0.505442464675 0.468871451891} H9 24 1
1 {} {0.433178367672 0.670959723488 0.52307833886} H10 25 1
1 {} {0.434995694074 0.656879839792 0.301137859783} H11 26 1
1 {} {0.221044817504 0.5513504939 0.633583362815} H12 27 1
1 {} {0.201312268914 0.532271288488 0.477888420793} H13 28 1
1 {} {0.158270567277 0.350973165324 0.687064756642} H14 29 1
1 {} {0.194190398901 0.447022216344 0.760806499692} H15 30 1
1 {} {0.268693853992 0.335287411292 0.547978913199} H16 31 1
1 {} {0.189646449928 0.303575916119 0.543390345893} H17 32 1
1 {} {0.250416244313 0.393337142816 0.381537566237} H18 33 1
1 {} {0.195500239833 0.380029268155 0.375486633564} H19 34 1
1 {} {0.123445294052 0.518581002361 0.695484383588} H20 35 1
1 {} {0.100952621301 0.465023502731 0.621953859278} H21 36 1
6 {} {0.590862760859 0.327620914198 0.309975637268} C4 37 1
14 {} {0.586071815733 0.361046248827 0.426982274614} Si6 38 1
14 {} {0.574916169046 0.238537895452 0.292029381182} Si7 39 1
8 {} {0.614703578978 0.31206070046 0.495024671579} O5 40 1
8 {} {0.608753464065 0.43615169752 0.431977827891} O6 41 1
6 {} {0.526832852454 0.369874973207 0.463584024273} C5 42 1
6 {} {0.514025428527 0.227867096917 0.268431425049} C6 43 1
8 {} {0.590157441784 0.199860330878 0.386296484154} O7 44 1
8 {} {0.604655296894 0.20161527354 0.212171907705} O8 45 1
14 {} {0.652445075615 0.480953203051 0.460672387164} Si8 46 1
7 {} {0.63694544333 0.562062002032 0.487605271611} N4 47 1
14 {} {0.643467462469 0.589770078492 0.598134421791} Si9 48 1
14 {} {0.612984299299 0.615763298718 0.408822932336} Si10 49 1
7 {} {0.624224339892 0.5964123382 0.298710519194} N5 50 1
7 {} {0.696072434648 0.609527820631 0.63440781019} N6 51 1
1 {} {0.571439878129 0.359365319195 0.264020815405} H22 52 1
1 {} {0.626187538724 0.332725624167 0.290397894587} H23 53 1
1 {} {0.613165567214 0.264906061672 0.477469823074} H24 54 1
1 {} {0.507707519769 0.402840946114 0.419016134545} H25 55 1
1 {} {0.525598909316 0.391327468661 0.531116098146} H26 56 1
1 {} {0.510034731609 0.320966376076 0.465928020742} H27 57 1
1 {} {0.504699816746 0.174751651185 0.263804492804} H28 58 1
1 {} {0.504745427381 0.252034232001 0.205083633238} H29 59 1
1 {} {0.493600512058 0.250748353197 0.321184195557} H30 60 1
1 {} {0.592906313392 0.151526196965 0.384051843576} H31 61 1
1 {} {0.591418200838 0.197505214133 0.153436753822} H32 62 1
1 {} {0.674475379926 0.452239174043 0.541293076525} H33 63 1
1 {} {0.684150150714 0.480617149897 0.383977070381} H34 64 1
1 {} {0.615917710895 0.651832284541 0.6046910336} H35 65 1
1 {} {0.627069063021 0.536766587186 0.659754661604} H36 66 1
1 {} {0.563258386571 0.614951999764 0.416315404887} H37 67 1
1 {} {0.630031538995 0.684580419081 0.426701961667} H38 68 1
1 {} {0.607765313984 0.558080125375 0.269050800175} H39 69 1
1 {} {0.655674926426 0.600003804001 0.274819612338} H40 70 1
1 {} {0.717616233844 0.57228674134 0.65223502125} H41 71 1
1 {} {0.713215169092 0.648695830993 0.60711107638} H42 72 1
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