iterations/neb0_image06_iter19.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 {{}}
Site int 1
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@data
6 {} {0.358458662757 0.535659783854 0.423006853932} C1 1 1
14 {} {0.339493150799 0.502504320263 0.53409252066} Si1 2 1
14 {} {0.413218543127 0.578982274943 0.418355268376} Si2 3 1
8 {} {0.342815426293 0.562740571321 0.609318546511} O1 4 1
8 {} {0.286625970875 0.480401654725 0.526080611975} O2 5 1
6 {} {0.371171554549 0.426567974935 0.56942885714} C2 6 1
6 {} {0.462190241401 0.522163169531 0.411971430728} C3 7 1
8 {} {0.415253062477 0.622392547701 0.514299370425} O3 8 1
8 {} {0.413684955582 0.629636741653 0.330254853758} O4 9 1
14 {} {0.234269403325 0.486102935365 0.556680908237} Si3 10 1
7 {} {0.214637426701 0.407440549402 0.588147018982} N1 11 1
14 {} {0.1786226395 0.403125313067 0.68003159294} Si4 12 1
14 {} {0.230221003581 0.337436937008 0.524150489177} Si5 13 1
7 {} {0.231446195213 0.349676697276 0.410507536859} N2 14 1
7 {} {0.131087201867 0.45140045603 0.672879253351} N3 15 1
1 {} {0.358168503864 0.495210847022 0.372985555826} H1 16 1
1 {} {0.333470825719 0.57264302051 0.40094987486} H2 17 1
1 {} {0.366576966506 0.594964775964 0.596212704928} H3 18 1
1 {} {0.367834598493 0.385559483929 0.520960166714} H4 19 1
1 {} {0.358506097212 0.408497516726 0.633937853058} H5 20 1
1 {} {0.406873709852 0.437546063093 0.577704809872} H6 21 1
1 {} {0.49442654443 0.548419191468 0.41188187254} H7 22 1
1 {} {0.460700911603 0.49074919082 0.351720060724} H8 23 1
1 {} {0.462349415486 0.48874349646 0.469874265352} H9 24 1
1 {} {0.440664415895 0.65151547197 0.524137407063} H10 25 1
1 {} {0.442436622119 0.637522767791 0.302419222629} H11 26 1
1 {} {0.228530937374 0.531816380604 0.634636895384} H12 27 1
1 {} {0.208795418313 0.512737701397 0.478939881898} H13 28 1
1 {} {0.165760357998 0.331424501449 0.688185315329} H14 29 1
1 {} {0.201680955337 0.42751506745 0.761907598882} H15 30 1
1 {} {0.276153499893 0.315762109908 0.549056218993} H16 31 1
1 {} {0.197091840853 0.284034201797 0.544502091365} H17 32 1
1 {} {0.257867529027 0.373801972267 0.382655267225} H18 33 1
1 {} {0.20297523223 0.36049888268 0.376602144542} H19 34 1
1 {} {0.130918395549 0.499030384011 0.696554713942} H20 35 1
1 {} {0.108442684127 0.445477659485 0.623067991034} H21 36 1
6 {} {0.583458410332 0.347113258203 0.308838155474} C4 37 1
14 {} {0.579254160573 0.379963405286 0.426118567455} Si6 38 1
14 {} {0.56743356008 0.258043727377 0.290905851764} Si7 39 1
8 {} {0.608000392886 0.331243822717 0.494127631337} O5 40 1
8 {} {0.601196134901 0.455635876665 0.430850587622} O6 41 1
6 {} {0.520264961822 0.387042252796 0.463247834214} C5 42 1
6 {} {0.506549710202 0.247423590407 0.267306903487} C6 43 1
8 {} {0.582574328469 0.219359054355 0.385214195619} O7 44 1
8 {} {0.597175556342 0.22117863923 0.210970593663} O8 45 1
14 {} {0.644940598187 0.500395210774 0.459632797848} Si8 46 1
7 {} {0.629389275665 0.581513801303 0.486498563107} N4 47 1
14 {} {0.63596932433 0.609302577423 0.597055265541} Si9 48 1
14 {} {0.605521130233 0.635243617068 0.407658928018} Si10 49 1
7 {} {0.616658609373 0.615825641777 0.298111965054} N5 50 1
7 {} {0.688832146307 0.629207836022 0.633536160105} N6 51 1
1 {} {0.563991352765 0.378905559458 0.262986217495} H22 52 1
1 {} {0.618738121663 0.352257830485 0.289200501888} H23 53 1
1 {} {0.605798873318 0.284243907405 0.476488309718} H24 54 1
1 {} {0.50193559577 0.419158953173 0.417125521862} H25 55 1
1 {} {0.518396573123 0.410284274524 0.52997250621} H26 56 1
1 {} {0.502920180859 0.338578641917 0.465633055004} H27 57 1
1 {} {0.497252196878 0.194290499902 0.262733046363} H28 58 1
1 {} {0.497247797676 0.271546187042 0.203954099011} H29 59 1
1 {} {0.48615414407 0.270252464287 0.320150115887} H30 60 1
1 {} {0.58546149037 0.171063386298 0.382942381676} H31 61 1
1 {} {0.58394835826 0.217022040953 0.15232800278} H32 62 1
1 {} {0.667006568308 0.471766350859 0.540234082143} H33 63 1
1 {} {0.676668656321 0.500147406263 0.382905368078} H34 64 1
1 {} {0.608445328073 0.671288942856 0.603442397991} H35 65 1
1 {} {0.619602616131 0.55629933568 0.658438782117} H36 66 1
1 {} {0.555750265177 0.634504151369 0.415141534117} H37 67 1
1 {} {0.622526392678 0.704161224534 0.425511892515} H38 68 1
1 {} {0.60026073309 0.577554152692 0.267813852812} H39 69 1
1 {} {0.648261878972 0.619556410376 0.273662051194} H40 70 1
1 {} {0.710106342158 0.59189063484 0.651104069094} H41 71 1
1 {} {0.705719312906 0.668159017764 0.606147488856} H42 72 1
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