iterations/neb0_image06_iter2.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_image06
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.35847151427 0.535818617853 0.422961101124} C1 1 1
14 {} {0.339433104058 0.502815879919 0.534017024423} Si1 2 1
14 {} {0.413711957498 0.577938721855 0.418774351382} Si2 3 1
8 {} {0.342674170253 0.563087693812 0.609282127723} O1 4 1
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8 {} {0.414032695945 0.628824953714 0.330988396321} O4 9 1
14 {} {0.234183797684 0.486440425865 0.556689972272} Si3 10 1
7 {} {0.214534015374 0.407720918829 0.588122633861} N1 11 1
14 {} {0.178497659693 0.403366007972 0.679966855459} Si4 12 1
14 {} {0.23013857414 0.337709684069 0.524187326341} Si5 13 1
7 {} {0.231357170602 0.350074423647 0.410570479223} N2 14 1
7 {} {0.130991110975 0.451700245327 0.672786222534} N3 15 1
1 {} {0.358022852334 0.495385871375 0.372927149972} H1 16 1
1 {} {0.333538894304 0.572990886215 0.400962004111} H2 17 1
1 {} {0.366461038104 0.595221042836 0.596226131415} H3 18 1
1 {} {0.367747865513 0.385852507443 0.52091306674} H4 19 1
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1 {} {0.494563805386 0.547984164514 0.411726177552} H7 22 1
1 {} {0.461355948489 0.48974755256 0.351527729226} H8 23 1
1 {} {0.463744073674 0.486184420734 0.469927202034} H9 24 1
1 {} {0.440568127803 0.651662299906 0.524158408522} H10 25 1
1 {} {0.442375549772 0.637633979329 0.302218339751} H11 26 1
1 {} {0.228395302458 0.532085808971 0.634704343137} H12 27 1
1 {} {0.208658965391 0.512984562814 0.478992960669} H13 28 1
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1 {} {0.20153330074 0.427704379685 0.761868103365} H15 30 1
1 {} {0.276064346095 0.316020208773 0.549096493883} H16 31 1
1 {} {0.197004471548 0.284291138107 0.544461582335} H17 32 1
1 {} {0.257790219997 0.374076890818 0.382631152549} H18 33 1
1 {} {0.202881976311 0.360740834372 0.376563971823} H19 34 1
1 {} {0.13079308107 0.499286571143 0.69656765353} H20 35 1
1 {} {0.108317524597 0.445765634537 0.623022209872} H21 36 1
6 {} {0.58349035267 0.346840410561 0.30890444143} C4 37 1
14 {} {0.578712538264 0.380404994187 0.425888938036} Si6 38 1
14 {} {0.567539383926 0.257753043499 0.290994368373} Si7 39 1
8 {} {0.607340887185 0.331336283165 0.493911472959} O5 40 1
8 {} {0.601362248888 0.455447395244 0.430910378373} O6 41 1
6 {} {0.519461620542 0.389100547721 0.462513176138} C5 42 1
6 {} {0.506637219736 0.247149471409 0.267355332463} C6 43 1
8 {} {0.582820664361 0.219122310078 0.385266966891} O7 44 1
8 {} {0.597257251344 0.220758135193 0.21110705684} O8 45 1
14 {} {0.645091785833 0.500292033235 0.459564893872} Si8 46 1
7 {} {0.629595246191 0.581374663918 0.486629586417} N4 47 1
14 {} {0.635851032847 0.60892461832 0.596945628389} Si9 48 1
14 {} {0.605710712738 0.63502984984 0.407170029336} Si10 49 1
7 {} {0.616701898722 0.615984248819 0.297574199507} N5 50 1
7 {} {0.688865656556 0.628735728374 0.633097579423} N6 51 1
1 {} {0.564074822916 0.378608316373 0.262961583981} H22 52 1
1 {} {0.618817759871 0.351985923337 0.289314730234} H23 53 1
1 {} {0.605789058586 0.284196363888 0.476428688542} H24 54 1
1 {} {0.500351228728 0.422068582024 0.417968659912} H25 55 1
1 {} {0.518243696394 0.410588633172 0.530036926461} H26 56 1
1 {} {0.502671954605 0.340198356478 0.46490267203} H27 57 1
1 {} {0.497300432458 0.194046152663 0.26269898744} H28 58 1
1 {} {0.497406721401 0.271331929319 0.20397936024} H29 59 1
1 {} {0.486214802479 0.270078180214 0.320082773007} H30 60 1
1 {} {0.585477796694 0.170775706368 0.383020380396} H31 61 1
1 {} {0.584048146715 0.216746030725 0.152386295224} H32 62 1
1 {} {0.667097332092 0.471479209449 0.540206233002} H33 63 1
1 {} {0.676824002521 0.499865022998 0.382917847322} H34 64 1
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1 {} {0.555975434118 0.634114347994 0.415334528768} H37 67 1
1 {} {0.622640305234 0.703804393929 0.425857760735} H38 68 1
1 {} {0.600445926999 0.577238477775 0.268059031848} H39 69 1
1 {} {0.648383693054 0.619295504048 0.27376525198} H40 70 1
1 {} {0.710233642582 0.591582057929 0.651152896677} H41 71 1
1 {} {0.705812324728 0.66788861591 0.606034594599} H42 72 1
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