iterations/neb0_image05_iter25.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_image05
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
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@data
6 {} {0.356608978155 0.540546530555 0.422722904718} C1 1 1
14 {} {0.337631688342 0.507432066338 0.533786494423} Si1 2 1
14 {} {0.411587482312 0.583406090469 0.418225472259} Si2 3 1
8 {} {0.340920050448 0.567708919591 0.609036864733} O1 4 1
8 {} {0.284661631055 0.485529702057 0.525794698705} O2 5 1
6 {} {0.369287109665 0.431455361562 0.569166948857} C2 6 1
6 {} {0.460577311932 0.526164355798 0.411945789875} C3 7 1
8 {} {0.413414260913 0.627213148196 0.513820893952} O3 8 1
8 {} {0.411968537878 0.634163804955 0.330290400613} O4 9 1
14 {} {0.232361282432 0.491060107806 0.556382430595} Si3 10 1
7 {} {0.212766628186 0.412323794407 0.587892096193} N1 11 1
14 {} {0.176750322425 0.408046700295 0.679786406046} Si4 12 1
14 {} {0.228367683098 0.342340789747 0.523885823321} Si5 13 1
7 {} {0.229559559556 0.354849970613 0.410319054955} N2 14 1
7 {} {0.129242143127 0.45638270593 0.672618629332} N3 15 1
1 {} {0.356307820311 0.500078524165 0.372708227403} H1 16 1
1 {} {0.331563072463 0.577512030421 0.400688501603} H2 17 1
1 {} {0.364688291188 0.599831701523 0.595948026981} H3 18 1
1 {} {0.365972147354 0.390432678075 0.520708546931} H4 19 1
1 {} {0.356643168635 0.41338116017 0.633683297107} H5 20 1
1 {} {0.40500853514 0.442427938228 0.577426125661} H6 21 1
1 {} {0.492615328802 0.553200459601 0.411554510943} H7 22 1
1 {} {0.459103328964 0.49514391653 0.351324664918} H8 23 1
1 {} {0.461082631217 0.492374269217 0.469767040246} H9 24 1
1 {} {0.438760676241 0.656389851065 0.523895417104} H10 25 1
1 {} {0.440534231294 0.642393042353 0.302094367003} H11 26 1
1 {} {0.226612434679 0.536724462105 0.634406943965} H12 27 1
1 {} {0.20686552241 0.517642445988 0.478639526731} H13 28 1
1 {} {0.163876312986 0.336328887559 0.68795013582} H14 29 1
1 {} {0.199812291213 0.432402746491 0.761635965081} H15 30 1
1 {} {0.274297197626 0.320619467289 0.548745951558} H16 31 1
1 {} {0.195241263788 0.288915328013 0.544205434281} H17 32 1
1 {} {0.256012538731 0.378720192521 0.382318687032} H18 33 1
1 {} {0.201076375613 0.365440605075 0.376277635221} H19 34 1
1 {} {0.12905711873 0.503988213216 0.696272777016} H20 35 1
1 {} {0.106570891546 0.450375596866 0.622836666163} H21 36 1
6 {} {0.585320080684 0.342200461095 0.309139839434} C4 37 1
14 {} {0.580818490534 0.375360798616 0.426360626784} Si6 38 1
14 {} {0.569327835054 0.25316817904 0.291216173434} Si7 39 1
8 {} {0.609661052335 0.326506514528 0.494268203094} O5 40 1
8 {} {0.603062182216 0.450716167879 0.431101565394} O6 41 1
6 {} {0.521692128849 0.383106681189 0.463233725031} C5 42 1
6 {} {0.508426391166 0.242501574646 0.267667296623} C6 43 1
8 {} {0.584625270479 0.214558047559 0.385496150138} O7 44 1
8 {} {0.59905473993 0.216161233654 0.211377748008} O8 45 1
14 {} {0.646867559963 0.495592409554 0.45974458905} Si8 46 1
7 {} {0.631327842974 0.576625488295 0.486831945251} N4 47 1
14 {} {0.63791846506 0.604376373284 0.597216827146} Si9 48 1
14 {} {0.607401366281 0.630282334394 0.407940910657} Si10 49 1
7 {} {0.618601033274 0.610886504328 0.298359990433} N5 50 1
7 {} {0.690691008767 0.624233852351 0.633912688206} N6 51 1
1 {} {0.565860092693 0.374015719376 0.263279921902} H22 52 1
1 {} {0.620630228005 0.347348979063 0.289467982237} H23 53 1
1 {} {0.607658599338 0.279378029315 0.47673984508} H24 54 1
1 {} {0.503011867 0.415647885499 0.417632261501} H25 55 1
1 {} {0.520158199425 0.405465300895 0.530181212865} H26 56 1
1 {} {0.504738808693 0.334354528634 0.465669910521} H27 57 1
1 {} {0.499155008454 0.189377242577 0.263050327057} H28 58 1
1 {} {0.499126436992 0.266629730187 0.204303952692} H29 59 1
1 {} {0.48800753473 0.265338242682 0.320459747852} H30 60 1
1 {} {0.58735788258 0.166199515194 0.3832096674} H31 61 1
1 {} {0.585845287798 0.212122337201 0.152614588471} H32 62 1
1 {} {0.668888278286 0.466865131681 0.540431741298} H33 63 1
1 {} {0.678548197736 0.495233776512 0.383079999702} H34 64 1
1 {} {0.610325784553 0.666363442272 0.603650785235} H35 65 1
1 {} {0.621460567465 0.55130332565 0.658694318589} H36 66 1
1 {} {0.557636329344 0.629607601867 0.415415770688} H37 67 1
1 {} {0.624376138427 0.69914356372 0.425724200399} H38 68 1
1 {} {0.602075422616 0.572642896889 0.268011197262} H39 69 1
1 {} {0.650140011364 0.614637735638 0.273947616869} H40 70 1
1 {} {0.712023307203 0.58698077675 0.651393284356} H41 71 1
1 {} {0.707606675239 0.663246365453 0.606496338418} H42 72 1
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