iterations/neb0_image01_iter26.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_image01
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.349264356103 0.559845796713 0.421597859861} C1 1 1
14 {} {0.330187461501 0.526803567462 0.532659648897} Si1 2 1
14 {} {0.404461872473 0.602009489326 0.417379727515} Si2 3 1
8 {} {0.333485015413 0.587092278278 0.60793613309} O1 4 1
8 {} {0.277232305652 0.504954970893 0.524681315095} O2 5 1
6 {} {0.361854178796 0.450870823075 0.568101015035} C2 6 1
6 {} {0.453580219521 0.544426816588 0.411141435051} C3 7 1
8 {} {0.406147690859 0.64626909124 0.512597323982} O3 8 1
8 {} {0.404823947843 0.65318562432 0.329832851924} O4 9 1
14 {} {0.224921435338 0.51045597385 0.555298157882} Si3 10 1
7 {} {0.205319283785 0.431751631811 0.586784993881} N1 11 1
14 {} {0.169310709907 0.427502910141 0.678686475552} Si4 12 1
14 {} {0.220923565574 0.361769203289 0.522755456724} Si5 13 1
7 {} {0.222132872229 0.374359413035 0.409222585382} N2 14 1
7 {} {0.121809174066 0.475851027497 0.671560408786} N3 15 1
1 {} {0.348827011064 0.519407220998 0.3715756382} H1 16 1
1 {} {0.32428499244 0.596947934013 0.399635873707} H2 17 1
1 {} {0.357244091023 0.619243340534 0.594839310545} H3 18 1
1 {} {0.358544815664 0.409862331069 0.519628397086} H4 19 1
1 {} {0.349216850713 0.432815452014 0.632627381008} H5 20 1
1 {} {0.397564099177 0.461900408922 0.576353953343} H6 21 1
1 {} {0.485375234388 0.572058992084 0.410422926485} H7 22 1
1 {} {0.452218043921 0.51379084946 0.350208227558} H8 23 1
1 {} {0.454536501296 0.510257821902 0.468589960511} H9 24 1
1 {} {0.431291695056 0.675782143587 0.522775589826} H10 25 1
1 {} {0.433127329863 0.661664671526 0.300804082747} H11 26 1
1 {} {0.219193610981 0.556146761585 0.633318486504} H12 27 1
1 {} {0.19943867804 0.537082925559 0.477561063059} H13 28 1
1 {} {0.156440152803 0.355779087776 0.68686077373} H14 29 1
1 {} {0.192377174695 0.451853896391 0.7605431491} H15 30 1
1 {} {0.266860229898 0.340063683727 0.547642569525} H16 31 1
1 {} {0.187796066308 0.308338700127 0.543096473677} H17 32 1
1 {} {0.248596711677 0.398189972424 0.381201931675} H18 33 1
1 {} {0.193649851105 0.384896317307 0.375160756463} H19 34 1
1 {} {0.121624933236 0.523461180744 0.695198895649} H20 35 1
1 {} {0.0991466480172 0.469851667679 0.621767663959} H21 36 1
6 {} {0.592700794143 0.322791180252 0.310236102943} C4 37 1
14 {} {0.587913082906 0.356364937665 0.427195890546} Si6 38 1
14 {} {0.576741388681 0.233717809083 0.2923447124} Si7 39 1
8 {} {0.616518088771 0.307283321165 0.495272367251} O5 40 1
8 {} {0.610562333303 0.43138019284 0.432226701134} O6 41 1
6 {} {0.528646240645 0.365105394686 0.463795035952} C5 42 1
6 {} {0.515841573041 0.22304523568 0.268770796112} C6 43 1
8 {} {0.592091249293 0.195087685751 0.38658635582} O7 44 1
8 {} {0.606457399974 0.196663316395 0.212490326657} O8 45 1
14 {} {0.654313266429 0.476233615971 0.460869196414} Si8 46 1
7 {} {0.638803206429 0.557276550346 0.487895686295} N4 47 1
14 {} {0.645272340345 0.584918573302 0.598351172753} Si9 48 1
14 {} {0.614791450475 0.610908165252 0.409011082964} Si10 49 1
7 {} {0.626023252379 0.59150207703 0.299413475072} N5 50 1
7 {} {0.698099549889 0.604724829671 0.634853788263} N6 51 1
1 {} {0.573286065498 0.354555757034 0.264281709245} H22 52 1
1 {} {0.628035464936 0.327906514192 0.290640109803} H23 53 1
1 {} {0.615008384489 0.260133124489 0.477713113483} H24 54 1
1 {} {0.509514026501 0.398112974797 0.419279261559} H25 55 1
1 {} {0.527416377522 0.386515746117 0.531350834956} H26 56 1
1 {} {0.511857603447 0.316199553518 0.466106822425} H27 57 1
1 {} {0.506564474998 0.169922415389 0.264130349166} H28 58 1
1 {} {0.506561659989 0.247192161994 0.205407347866} H29 59 1
1 {} {0.495425030681 0.245915630999 0.321540892416} H30 60 1
1 {} {0.594808851049 0.14674022451 0.384288364103} H31 61 1
1 {} {0.593277631489 0.192721176587 0.153701185493} H32 62 1
1 {} {0.676331047838 0.447436893096 0.54151523681} H33 63 1
1 {} {0.686001347315 0.47580226941 0.384170575435} H34 64 1
1 {} {0.617757584657 0.64698204706 0.604855614762} H35 65 1
1 {} {0.62890177458 0.531841909481 0.659950924063} H36 66 1
1 {} {0.565090051673 0.610185738455 0.416606823576} H37 67 1
1 {} {0.631881249854 0.679711152944 0.426855731111} H38 68 1
1 {} {0.60946169003 0.553239155586 0.26917344214} H39 69 1
1 {} {0.657594477839 0.595172606161 0.275084945461} H40 70 1
1 {} {0.719444604408 0.567524994204 0.652489834473} H41 71 1
1 {} {0.715028539446 0.643767391743 0.607581993745} H42 72 1
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