iterations/neb0_image07_iter5.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_image07
@Columns AsymmetricAtom
AtomicNumber int 0
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@data
6 {} {0.360353338464 0.530938127114 0.42323591569} C1 1 1
14 {} {0.341261537159 0.497931767063 0.534315202722} Si1 2 1
14 {} {0.415511431406 0.573283299015 0.41895671476} Si2 3 1
8 {} {0.344544677488 0.558208388568 0.609543524383} O1 4 1
8 {} {0.288399764215 0.475965187365 0.526349574508} O2 5 1
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8 {} {0.415862825369 0.623985755931 0.331194100361} O4 9 1
14 {} {0.236029807709 0.481521642441 0.556979822916} Si3 10 1
7 {} {0.216402095441 0.402841727629 0.588395414514} N1 11 1
14 {} {0.180366679892 0.398514457295 0.680210828244} Si4 12 1
14 {} {0.23199844785 0.332840224264 0.524422669363} Si5 13 1
7 {} {0.2332232532 0.345203270667 0.410840521942} N2 14 1
7 {} {0.132855076055 0.44683051503 0.673071534144} N3 15 1
1 {} {0.359885426014 0.490503777818 0.373197086828} H1 16 1
1 {} {0.335408086086 0.568101719505 0.401236834326} H2 17 1
1 {} {0.368328497807 0.590350078196 0.596496514277} H3 18 1
1 {} {0.369610507952 0.380970351454 0.521189222675} H4 19 1
1 {} {0.360260236623 0.40391065427 0.634187362139} H5 20 1
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1 {} {0.496399420874 0.543094671238 0.412057767281} H7 22 1
1 {} {0.463100399489 0.485073408664 0.351821475423} H8 23 1
1 {} {0.465277134991 0.482080216538 0.470022020523} H9 24 1
1 {} {0.442430869799 0.646793078061 0.524416844478} H10 25 1
1 {} {0.444237838194 0.632773740742 0.302517094398} H11 26 1
1 {} {0.230263907826 0.527210791012 0.63496909612} H12 27 1
1 {} {0.210527252662 0.508112491966 0.479255141647} H13 28 1
1 {} {0.167474203777 0.326787636587 0.688379136089} H14 29 1
1 {} {0.20340098637 0.422831949629 0.762144814905} H15 30 1
1 {} {0.277928545294 0.311138968226 0.549360820278} H16 31 1
1 {} {0.198870499035 0.279413286216 0.544737642835} H17 32 1
1 {} {0.25965385518 0.36919925985 0.382903978439} H18 33 1
1 {} {0.20474625358 0.355866039161 0.376840881173} H19 34 1
1 {} {0.1326626392 0.494414831332 0.69683850964} H20 35 1
1 {} {0.110183963724 0.440884293974 0.623294717927} H21 36 1
6 {} {0.581633025068 0.351739862626 0.308636680735} C4 37 1
14 {} {0.576802429644 0.38509066055 0.425775034298} Si6 38 1
14 {} {0.565675277281 0.262629649238 0.290719475127} Si7 39 1
8 {} {0.605548598015 0.336208410961 0.49363283235} O5 40 1
8 {} {0.599499150212 0.460394803083 0.430600427024} O6 41 1
6 {} {0.517925373467 0.393326667851 0.4621058194} C5 42 1
6 {} {0.504776067202 0.252037807376 0.267082283262} C6 43 1
8 {} {0.580937078914 0.224005373907 0.384982119019} O7 44 1
8 {} {0.595381763207 0.225639617742 0.210838984357} O8 45 1
14 {} {0.643250610191 0.505119156098 0.459330998176} Si8 46 1
7 {} {0.627650133825 0.586241072054 0.486048084063} N4 47 1
14 {} {0.634199263882 0.613925558098 0.596895444881} Si9 48 1
14 {} {0.60383955025 0.63991033364 0.407386327294} Si10 49 1
7 {} {0.614864381181 0.620797060198 0.29724624293} N5 50 1
7 {} {0.686934034877 0.633593841581 0.632835223961} N6 51 1
1 {} {0.562211139007 0.383486429223 0.262670172425} H22 52 1
1 {} {0.616953741913 0.356864213186 0.289038790144} H23 53 1
1 {} {0.60392592465 0.28908546932 0.476161260764} H24 54 1
1 {} {0.49907546286 0.425838173761 0.41792915073} H25 55 1
1 {} {0.516407651592 0.415417192932 0.529705740347} H26 56 1
1 {} {0.500850045929 0.344929059735 0.464684865437} H27 57 1
1 {} {0.495440937869 0.198923247335 0.262435152536} H28 58 1
1 {} {0.495539730339 0.276199510866 0.203712987234} H29 59 1
1 {} {0.484354096794 0.274942280605 0.319824436367} H30 60 1
1 {} {0.583621771386 0.175656060913 0.382747023141} H31 61 1
1 {} {0.582183686698 0.221623532514 0.152106153393} H32 62 1
1 {} {0.665231150352 0.476366672818 0.539920324406} H33 63 1
1 {} {0.674951676152 0.504755667713 0.382635321118} H34 64 1
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1 {} {0.554095056944 0.638994127454 0.415014165261} H37 67 1
1 {} {0.620770058876 0.708680943282 0.425513552225} H38 68 1
1 {} {0.598561400676 0.582091944954 0.26771228663} H39 69 1
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1 {} {0.708343082395 0.596499557318 0.65085041935} H41 71 1
1 {} {0.70392596099 0.672720522483 0.605795598801} H42 72 1
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