./iterations/neb0_image04_iter18.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_image04
@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 {} {0.363830897042 0.561065525429 0.412905795401} C1 1 1
14 {} {0.340518772976 0.534440569299 0.523458073861} Si1 2 1
14 {} {0.425464601745 0.57177298627 0.408467239012} Si2 3 1
8 {} {0.353647437554 0.591215319793 0.599536423662} O1 4 1
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6 {} {0.456433953231 0.491240296016 0.393860369982} C3 7 1
8 {} {0.438306395018 0.606899117563 0.507386580548} O3 8 1
8 {} {0.438114919066 0.623598884596 0.325490082023} O4 9 1
14 {} {0.235128420217 0.537227481495 0.557780838068} Si3 10 1
7 {} {0.2154408875 0.459132549241 0.591990602556} N1 11 1
14 {} {0.192973987277 0.450834417033 0.699438052637} Si4 12 1
14 {} {0.215981155085 0.391453083025 0.516924368418} Si5 13 1
7 {} {0.209918224512 0.41264721658 0.406490257565} N2 14 1
7 {} {0.142535218149 0.489856108287 0.719660820247} N3 15 1
1 {} {0.353824540742 0.525352446377 0.360573764965} H1 16 1
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1 {} {0.350725584261 0.410640662352 0.5089162175} H4 19 1
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1 {} {0.446921265978 0.467067360201 0.330703822382} H8 23 1
1 {} {0.450283798372 0.455753688748 0.448510634396} H9 24 1
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1 {} {0.259253654224 0.354904784098 0.522722703696} H16 31 1
1 {} {0.178413328456 0.346806599885 0.543518287925} H17 32 1
1 {} {0.236906086435 0.427295054429 0.370474325826} H18 33 1
1 {} {0.181908894822 0.436051883715 0.384311576304} H19 34 1
1 {} {0.141783031033 0.539463106306 0.734584542564} H20 35 1
1 {} {0.11451388781 0.47610699621 0.686042761528} H21 36 1
6 {} {0.627105697218 0.631632946407 0.350094792001} C4 37 1
14 {} {0.584198727784 0.569112499486 0.38756593788} Si6 38 1
14 {} {0.62141435803 0.720079392786 0.386614482511} Si7 39 1
8 {} {0.534223400977 0.605822294115 0.382142241477} O5 40 1
8 {} {0.584675179306 0.504688614264 0.320380886422} O6 41 1
6 {} {0.594955773149 0.537132895111 0.502470607412} C5 42 1
6 {} {0.639529959291 0.73712306245 0.50381505759} C6 43 1
8 {} {0.566525939563 0.734869989956 0.375132437007} O7 44 1
8 {} {0.64915594859 0.769424710499 0.316756872257} O8 45 1
14 {} {0.578248765512 0.444169858283 0.24747358586} Si8 46 1
7 {} {0.590814150823 0.366166361588 0.290481066062} N4 47 1
14 {} {0.547162487956 0.309791009781 0.314016794322} Si9 48 1
14 {} {0.645352277363 0.340790842542 0.315764041447} Si10 49 1
7 {} {0.68640961797 0.386984030356 0.2646080718} N5 50 1
7 {} {0.523271469831 0.266705327479 0.227039669891} N6 51 1
1 {} {0.660472549849 0.613251779674 0.368859428122} H22 52 1
1 {} {0.626266289092 0.632366567167 0.276446194684} H23 53 1
1 {} {0.536781030034 0.654804775725 0.377526358977} H24 54 1
1 {} {0.627069818775 0.510571380999 0.505187426418} H25 55 1
1 {} {0.568822748981 0.501628914258 0.522734974158} H26 56 1
1 {} {0.595869028392 0.577674676217 0.552040336058} H27 57 1
1 {} {0.634264409514 0.789894460413 0.522002705601} H28 58 1
1 {} {0.675120957657 0.725714892837 0.513193593384} H29 59 1
1 {} {0.620546607386 0.70657169938 0.551573241194} H30 60 1
1 {} {0.556061480496 0.78071530283 0.372205119383} H31 61 1
1 {} {0.667049753311 0.805140773189 0.341833424034} H32 62 1
1 {} {0.530593371948 0.442263911395 0.218720069186} H33 63 1
1 {} {0.607505433175 0.460284195099 0.170027144698} H34 64 1
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1 {} {0.654639759562 0.346880540573 0.413314883585} H37 67 1
1 {} {0.649178517947 0.269342962574 0.287638716745} H38 68 1
1 {} {0.6996914536 0.427785726003 0.294948980366} H39 69 1
1 {} {0.689386881453 0.389935308148 0.197232916719} H40 70 1
1 {} {0.501091023496 0.289919457333 0.186177375453} H41 71 1
1 {} {0.540678587535 0.231261599126 0.193168663937} H42 72 1
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