iterations/neb0_image03_iter24.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_image03
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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@data
6 {} {0.35298688105 0.550222615357 0.422171673617} C1 1 1
14 {} {0.333950205385 0.517215019183 0.533258767354} Si1 2 1
14 {} {0.408173753829 0.592511740456 0.417929866988} Si2 3 1
8 {} {0.337208500745 0.577498788951 0.608518359837} O1 4 1
8 {} {0.280999197991 0.495333166627 0.525225028201} O2 5 1
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6 {} {0.457218390536 0.534941348769 0.41165718043} C3 7 1
8 {} {0.409842584689 0.636708221494 0.513186754105} O3 8 1
8 {} {0.408500430079 0.643527550562 0.330238104802} O4 9 1
14 {} {0.228708637645 0.50085603034 0.555864246318} Si3 10 1
7 {} {0.209050666604 0.422139867331 0.587316804838} N1 11 1
14 {} {0.173002559592 0.417863036659 0.679122931549} Si4 12 1
14 {} {0.224603045082 0.352147130479 0.523324361729} Si5 13 1
7 {} {0.225823657816 0.364694928135 0.409772284385} N2 14 1
7 {} {0.125502455779 0.46621343184 0.672038755941} N3 15 1
1 {} {0.352559518535 0.509775818257 0.372154777973} H1 16 1
1 {} {0.327997337228 0.587292571821 0.400184209802} H2 17 1
1 {} {0.360958776574 0.609641752883 0.595415919302} H3 18 1
1 {} {0.362228655932 0.4002306468 0.520177137768} H4 19 1
1 {} {0.352909227734 0.42315099406 0.633185931038} H5 20 1
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1 {} {0.48904105862 0.562494116868 0.411000379014} H7 22 1
1 {} {0.455794600486 0.504275778833 0.350751964811} H8 23 1
1 {} {0.458104936831 0.500819624355 0.469137966396} H9 24 1
1 {} {0.435025133768 0.666156762452 0.523375009311} H10 25 1
1 {} {0.436840092578 0.652096195333 0.301405391246} H11 26 1
1 {} {0.222924703189 0.546502160332 0.633886550004} H12 27 1
1 {} {0.20318765378 0.527421828391 0.478154803582} H13 28 1
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1 {} {0.196058280639 0.442183875066 0.760998545132} H15 30 1
1 {} {0.270526420918 0.330416792349 0.548189113814} H16 31 1
1 {} {0.191480615175 0.298713347184 0.543650196204} H17 32 1
1 {} {0.25229038698 0.388516744067 0.381763027243} H18 33 1
1 {} {0.197340190236 0.375244534771 0.375704501966} H19 34 1
1 {} {0.125316257232 0.513805167964 0.695722681247} H20 35 1
1 {} {0.102816714802 0.460201046246 0.622278506059} H21 36 1
6 {} {0.58900898966 0.332405798469 0.309705260904} C4 37 1
14 {} {0.584268600843 0.365893714404 0.426743436863} Si6 38 1
14 {} {0.573022941369 0.243341353151 0.291697531021} Si7 39 1
8 {} {0.612977429171 0.316901943087 0.494732537817} O5 40 1
8 {} {0.60683769871 0.44097474337 0.431691393611} O6 41 1
6 {} {0.525020476109 0.374486132306 0.463364873928} C5 42 1
6 {} {0.512134862554 0.232708969679 0.26817011789} C6 43 1
8 {} {0.58814783288 0.204731829372 0.386081453516} O7 44 1
8 {} {0.602696585463 0.206233315687 0.211893237075} O8 45 1
14 {} {0.650609693418 0.485792945206 0.460351715851} Si8 46 1
7 {} {0.635071324412 0.566848300083 0.487426876613} N4 47 1
14 {} {0.641540554464 0.59456290944 0.597709502319} Si9 48 1
14 {} {0.6111334876 0.620537708912 0.408403698213} Si10 49 1
7 {} {0.622324784528 0.601138821903 0.298901813} N5 50 1
7 {} {0.694363422613 0.61442190797 0.634407249258} N6 51 1
1 {} {0.569598031995 0.364210492635 0.263782162607} H22 52 1
1 {} {0.624339059812 0.337573927221 0.290124911394} H23 53 1
1 {} {0.611329098133 0.269744431094 0.477212668287} H24 54 1
1 {} {0.505996281575 0.407444480491 0.41866025824} H25 55 1
1 {} {0.523743154251 0.396083288085 0.53080598714} H26 56 1
1 {} {0.508200773653 0.325615962858 0.465694890519} H27 57 1
1 {} {0.50288316411 0.17957417456 0.263581677229} H28 58 1
1 {} {0.502843807671 0.256852881346 0.204819752748} H29 59 1
1 {} {0.491748121055 0.255563023512 0.32100103314} H30 60 1
1 {} {0.591094763761 0.156408191368 0.383747801249} H31 61 1
1 {} {0.589552482463 0.202350768214 0.15305404706} H32 62 1
1 {} {0.67264446733 0.457076255145 0.54104130383} H33 63 1
1 {} {0.682300594665 0.48543890718 0.383671516721} H34 64 1
1 {} {0.614041326886 0.656610601296 0.604219848545} H35 65 1
1 {} {0.625183293413 0.541527461395 0.659266285172} H36 66 1
1 {} {0.561376648949 0.619890340204 0.416026094764} H37 67 1
1 {} {0.628166142338 0.689379274613 0.426286633736} H38 68 1
1 {} {0.605787792237 0.562912767015 0.268624830839} H39 69 1
1 {} {0.653843593748 0.604846596097 0.274536118134} H40 70 1
1 {} {0.715734451446 0.577177841414 0.651941697543} H41 71 1
1 {} {0.711318800599 0.653474367612 0.607015844204} H42 72 1
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