iterations/neb0_image05_iter17.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
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@data
6 {} {0.35663512028 0.540564063154 0.422725996661} C1 1 1
14 {} {0.337586441865 0.507512157171 0.533769416399} Si1 2 1
14 {} {0.411684716631 0.5831097356 0.418376439298} Si2 3 1
8 {} {0.340878327284 0.567784177288 0.609004175101} O1 4 1
8 {} {0.284682491828 0.485599357655 0.525799948857} O2 5 1
6 {} {0.369267096851 0.431561007929 0.56916119947} C2 6 1
6 {} {0.460699309079 0.525787599695 0.412068820094} C3 7 1
8 {} {0.413473206105 0.627116303578 0.513752264749} O3 8 1
8 {} {0.412093934147 0.633855680921 0.330468457658} O4 9 1
14 {} {0.232321255151 0.491144158967 0.556417157293} Si3 10 1
7 {} {0.212735881409 0.412419899036 0.587878821746} N1 11 1
14 {} {0.176701853949 0.408114701119 0.6797364472} Si4 12 1
14 {} {0.22833523839 0.342427573096 0.523888678036} Si5 13 1
7 {} {0.229531883598 0.354876676555 0.410306278623} N2 14 1
7 {} {0.129189665912 0.45644702634 0.672564037366} N3 15 1
1 {} {0.356238755778 0.500125149925 0.372690187935} H1 16 1
1 {} {0.331674566425 0.577652317341 0.400705103472} H2 17 1
1 {} {0.364660648871 0.599945425154 0.595949462367} H3 18 1
1 {} {0.365940436785 0.390548428703 0.520680625049} H4 19 1
1 {} {0.356598802229 0.413488435545 0.633668433283} H5 20 1
1 {} {0.404980717541 0.442528241685 0.577435417298} H6 21 1
1 {} {0.492649066789 0.552905209471 0.411552240408} H7 22 1
1 {} {0.459307779506 0.494881374254 0.35139517433} H8 23 1
1 {} {0.461479752273 0.491825310276 0.469562773665} H9 24 1
1 {} {0.438747436956 0.656423913501 0.523876419949} H10 25 1
1 {} {0.440568276232 0.642414102683 0.302011603579} H11 26 1
1 {} {0.226591613591 0.536812758317 0.634422463956} H12 27 1
1 {} {0.206844969563 0.517729270767 0.478664664363} H13 28 1
1 {} {0.16382365392 0.336401251982 0.687888332779} H14 29 1
1 {} {0.199756211503 0.432461383437 0.761627805252} H15 30 1
1 {} {0.274259170512 0.320725354859 0.54879090101} H16 31 1
1 {} {0.195203749848 0.289011426798 0.544205613073} H17 32 1
1 {} {0.255990361344 0.378806290339 0.382343409916} H18 33 1
1 {} {0.201057274726 0.3654914043 0.376293247821} H19 34 1
1 {} {0.129007284092 0.504054023956 0.696295658728} H20 35 1
1 {} {0.106527289857 0.450470390818 0.622794384572} H21 36 1
6 {} {0.58531074431 0.34214767454 0.309173811694} C4 37 1
14 {} {0.580690361682 0.375471043702 0.426242315788} Si6 38 1
14 {} {0.56935250262 0.253066205812 0.291243043208} Si7 39 1
8 {} {0.609350897715 0.326535976091 0.494225631413} O5 40 1
8 {} {0.603135270755 0.450730510159 0.431115820915} O6 41 1
6 {} {0.521580980817 0.383598906443 0.463015420436} C5 42 1
6 {} {0.50845694583 0.242427340185 0.267645353607} C6 43 1
8 {} {0.584643510302 0.214424346842 0.385499439417} O7 44 1
8 {} {0.599069382802 0.216052693248 0.211369669182} O8 45 1
14 {} {0.646891868782 0.495482880512 0.459811443093} Si8 46 1
7 {} {0.631364502495 0.576559685592 0.486819581191} N4 47 1
14 {} {0.637863558136 0.604268397861 0.597277411287} Si9 48 1
14 {} {0.60746768774 0.630229822439 0.407855575112} Si10 49 1
7 {} {0.618564495433 0.610993014659 0.298137931499} N5 50 1
7 {} {0.690697546048 0.624093497 0.633655360788} N6 51 1
1 {} {0.565883771424 0.373896138825 0.263215782239} H22 52 1
1 {} {0.620624732921 0.347261660024 0.289565386447} H23 53 1
1 {} {0.607621886835 0.279443018565 0.476698645137} H24 54 1
1 {} {0.502708592716 0.416302049363 0.418056781039} H25 55 1
1 {} {0.520113360542 0.405679591546 0.5302129451} H26 56 1
1 {} {0.50457151607 0.334896461904 0.465352175231} H27 57 1
1 {} {0.499145057382 0.189307652909 0.26301060473} H28 58 1
1 {} {0.49918692158 0.266569447265 0.204272111618} H29 59 1
1 {} {0.488030132858 0.265295462059 0.320410123646} H30 60 1
1 {} {0.587337470251 0.166089571894 0.383250694526} H31 61 1
1 {} {0.58587113934 0.212029041315 0.152655077127} H32 62 1
1 {} {0.668910110179 0.466788706081 0.540442690929} H33 63 1
1 {} {0.678609285671 0.495158380721 0.383119110097} H34 64 1
1 {} {0.610364702373 0.666322866174 0.603822704792} H35 65 1
1 {} {0.62150913135 0.551296200652 0.658874321093} H36 66 1
1 {} {0.557710512572 0.629466566977 0.415474083984} H37 67 1
1 {} {0.624433989923 0.699100678759 0.425885748249} H38 68 1
1 {} {0.602203128583 0.572556883172 0.268163513231} H39 69 1
1 {} {0.650184164899 0.614552957325 0.273942533021} H40 70 1
1 {} {0.71203963244 0.586856469093 0.651410940464} H41 71 1
1 {} {0.707608224555 0.663152932996 0.606390461475} H42 72 1
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