iterations/neb0_image07_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_image07
@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 {} {0.360304006609 0.530802421697 0.423234155585} C1 1 1
14 {} {0.341484910797 0.497448916487 0.534466146518} Si1 2 1
14 {} {0.414648399929 0.575496423372 0.417966788037} Si2 3 1
8 {} {0.344774997337 0.557685677008 0.609625284465} O1 4 1
8 {} {0.288547561596 0.475409586627 0.526419654887} O2 5 1
6 {} {0.373140056906 0.421404198895 0.569739718523} C2 6 1
6 {} {0.463441489674 0.519065176446 0.411717083473} C3 7 1
8 {} {0.416813702752 0.618069297317 0.514651289701} O3 8 1
8 {} {0.414982101184 0.625844428962 0.329491473376} O4 9 1
14 {} {0.236272678094 0.480925032702 0.556945290931} Si3 10 1
7 {} {0.216621495667 0.402253010992 0.588392443537} N1 11 1
14 {} {0.180622724036 0.397988722621 0.68026908773} Si4 12 1
14 {} {0.232194782728 0.332269773936 0.524389422784} Si5 13 1
7 {} {0.233414573944 0.344727036517 0.410821511051} N2 14 1
7 {} {0.13310591727 0.446310188363 0.673135896214} N3 15 1
1 {} {0.360257471682 0.490228691937 0.373265400529} H1 16 1
1 {} {0.3349782549 0.56737006105 0.401151149444} H2 17 1
1 {} {0.36857122308 0.589831557314 0.596562319127} H3 18 1
1 {} {0.369808324017 0.380384373653 0.52127985179} H4 19 1
1 {} {0.360488115766 0.403309877816 0.634237907369} H5 20 1
1 {} {0.408863279817 0.432326632441 0.578012163568} H6 21 1
1 {} {0.496150439158 0.544500070526 0.412138670525} H7 22 1
1 {} {0.461686273563 0.487024077988 0.35183954096} H8 23 1
1 {} {0.462407465675 0.486494439513 0.470785581814} H9 24 1
1 {} {0.44260746114 0.64646119175 0.524527668287} H10 25 1
1 {} {0.444168584136 0.632514118132 0.302881561634} H11 26 1
1 {} {0.230481168605 0.526624772324 0.634965547518} H12 27 1
1 {} {0.21074979715 0.507549066803 0.47922572444} H13 28 1
1 {} {0.167722279063 0.326258149666 0.688489075813} H14 29 1
1 {} {0.203662871755 0.422345712656 0.762156294991} H15 30 1
1 {} {0.27813385509 0.310554421698 0.54930023292} H16 31 1
1 {} {0.199071096206 0.278826999674 0.544758711317} H17 32 1
1 {} {0.259866822841 0.368658037272 0.382872106023} H18 33 1
1 {} {0.204940591063 0.355369283239 0.376824761091} H19 34 1
1 {} {0.132911197309 0.493913218271 0.696828831163} H20 35 1
1 {} {0.11042144247 0.440329881662 0.623405236636} H21 36 1
6 {} {0.581686363526 0.352110296168 0.308479080939} C4 37 1
14 {} {0.57794056346 0.384175328809 0.426559153327} Si6 38 1
14 {} {0.565464440065 0.263162913112 0.290534949442} Si7 39 1
8 {} {0.607583514128 0.335828985948 0.49382771295} O5 40 1
8 {} {0.599106253497 0.460450719131 0.430578520721} O6 41 1
6 {} {0.519110450689 0.38959404569 0.464052738037} C5 42 1
6 {} {0.504563662786 0.25261861971 0.267056159319} C6 43 1
8 {} {0.580571801392 0.224590733502 0.38496653269} O7 44 1
8 {} {0.595134793994 0.226152371292 0.210708585944} O8 45 1
14 {} {0.642973015314 0.505603341382 0.459271440667} Si8 46 1
7 {} {0.627338941784 0.586667133527 0.48607692142} N4 47 1
14 {} {0.634093646424 0.61452151428 0.596847796494} Si9 48 1
14 {} {0.603542914385 0.640390219761 0.40756365817} Si10 49 1
7 {} {0.614703003116 0.62098372653 0.297909745526} N5 50 1
7 {} {0.686882570635 0.634346802916 0.633316888101} N6 51 1
1 {} {0.562069975384 0.384128345141 0.263017470747} H22 52 1
1 {} {0.616925713629 0.357363230952 0.288467485033} H23 53 1
1 {} {0.604090927777 0.288849193564 0.476576600768} H24 54 1
1 {} {0.501657700425 0.420799006349 0.415230395669} H25 55 1
1 {} {0.516810057534 0.414247026726 0.529432799921} H26 56 1
1 {} {0.50170680621 0.341173910184 0.466883988627} H27 57 1
1 {} {0.495320043026 0.199484021783 0.262478565061} H28 58 1
1 {} {0.495254090303 0.276719733128 0.203684020298} H29 59 1
1 {} {0.484165659763 0.275411832036 0.319909158023} H30 60 1
1 {} {0.583494350148 0.176280361129 0.382671748829} H31 61 1
1 {} {0.581962036288 0.222177434582 0.151970136831} H32 62 1
1 {} {0.664988146035 0.476914189756 0.539787095208} H33 63 1
1 {} {0.674627055779 0.505285354801 0.382579665339} H34 64 1
1 {} {0.606454097714 0.676479526867 0.603079187939} H35 65 1
1 {} {0.617584299467 0.561362092627 0.658203357446} H36 66 1
1 {} {0.553780323888 0.639626906452 0.414813366748} H37 67 1
1 {} {0.620503157026 0.709230134479 0.425195332859} H38 68 1
1 {} {0.598212032754 0.582672949231 0.267407287259} H39 69 1
1 {} {0.646367281392 0.624758139828 0.273380570211} H40 70 1
1 {} {0.708117835006 0.597153332837 0.650780384555} H41 71 1
1 {} {0.703727042597 0.673238283113 0.606014247086} H42 72 1
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