iterations/neb0_image06_iter11.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
WyckoffPosition int -1
@end
@data
6 {} {0.35852341989 0.535671875691 0.423029974256} C1 1 1
14 {} {0.339443135134 0.502643598128 0.534027021439} Si1 2 1
14 {} {0.413391628823 0.578606578863 0.418569110724} Si2 3 1
8 {} {0.342779901955 0.562870427622 0.609281520475} O1 4 1
8 {} {0.286558095909 0.480549035132 0.5260919544} O2 5 1
6 {} {0.371128321696 0.426684628021 0.569427381709} C2 6 1
6 {} {0.46213991486 0.521866637881 0.412111094771} C3 7 1
8 {} {0.41536376399 0.622200662828 0.514041783369} O3 8 1
8 {} {0.4139285053 0.629065323602 0.330666140777} O4 9 1
14 {} {0.234240288804 0.486227678434 0.556673741111} Si3 10 1
7 {} {0.214604765846 0.407546029983 0.588146781194} N1 11 1
14 {} {0.178579606884 0.403233065291 0.680018586827} Si4 12 1
14 {} {0.230188029869 0.337542296733 0.524164230249} Si5 13 1
7 {} {0.231418194153 0.349824127198 0.410531135931} N2 14 1
7 {} {0.131045338767 0.451520656094 0.672845764176} N3 15 1
1 {} {0.358087806763 0.49524484018 0.372960005851} H1 16 1
1 {} {0.333589769341 0.572767296546 0.400978138623} H2 17 1
1 {} {0.366528617229 0.595068082617 0.596219545869} H3 18 1
1 {} {0.367799827805 0.385674523552 0.520942521929} H4 19 1
1 {} {0.358463966676 0.408607771657 0.633932267946} H5 20 1
1 {} {0.406848199403 0.43765422303 0.577714671006} H6 21 1
1 {} {0.494449665601 0.547954940422 0.411912471271} H7 22 1
1 {} {0.461013415284 0.490395662395 0.351937689796} H8 23 1
1 {} {0.4629206701 0.487998975683 0.469524902003} H9 24 1
1 {} {0.440613520924 0.651537797234 0.524119871192} H10 25 1
1 {} {0.442430009537 0.637551765859 0.302337940238} H11 26 1
1 {} {0.228478602095 0.531916773008 0.63465829179} H12 27 1
1 {} {0.20874519367 0.512836096512 0.478968578903} H13 28 1
1 {} {0.165699518027 0.331524185431 0.688142134999} H14 29 1
1 {} {0.20162048462 0.427582940495 0.76188795272} H15 30 1
1 {} {0.276112421302 0.31586717248 0.549069736611} H16 31 1
1 {} {0.19706555433 0.284145894579 0.544483794601} H17 32 1
1 {} {0.257835693442 0.37391046646 0.382646926809} H18 33 1
1 {} {0.202940106643 0.360595254259 0.376588357448} H19 34 1
1 {} {0.130870808915 0.499128510672 0.696562602681} H20 35 1
1 {} {0.108388292588 0.445590111655 0.623038871431} H21 36 1
6 {} {0.583432732189 0.347033975165 0.308907594233} C4 37 1
14 {} {0.578886893008 0.380193337497 0.426085118242} Si6 38 1
14 {} {0.56748307291 0.257963038224 0.290923131483} Si7 39 1
8 {} {0.607545166598 0.331397782594 0.493991232155} O5 40 1
8 {} {0.601225910048 0.455562316138 0.430821429306} O6 41 1
6 {} {0.520202413261 0.387661108519 0.463085721465} C5 42 1
6 {} {0.506587112217 0.247315037085 0.267329080669} C6 43 1
8 {} {0.582661953427 0.21926712513 0.385212368822} O7 44 1
8 {} {0.597198918932 0.221019769395 0.211058349876} O8 45 1
14 {} {0.645026337125 0.500355064945 0.459588978706} Si8 46 1
7 {} {0.629452893291 0.58142745671 0.48655830028} N4 47 1
14 {} {0.636086116209 0.609212389774 0.59698132226} Si9 48 1
14 {} {0.605595290309 0.635204808801 0.407803827413} Si10 49 1
7 {} {0.616686829097 0.61590687142 0.297858246181} N5 50 1
7 {} {0.688796461501 0.62898264289 0.63332736742} N6 51 1
1 {} {0.56401396738 0.378784814778 0.262904168993} H22 52 1
1 {} {0.618760181474 0.352159085353 0.289296518411} H23 53 1
1 {} {0.605756997492 0.284325112834 0.476422051751} H24 54 1
1 {} {0.501547619628 0.419871013033 0.417927980274} H25 55 1
1 {} {0.518295956835 0.410454709512 0.529602854557} H26 56 1
1 {} {0.502743131332 0.339561661185 0.465128175898} H27 57 1
1 {} {0.497263789619 0.194201728001 0.26272277162} H28 58 1
1 {} {0.497318162172 0.271454830498 0.203970271528} H29 59 1
1 {} {0.48618009493 0.270176540232 0.320125065368} H30 60 1
1 {} {0.585469173974 0.1709348025 0.382988266703} H31 61 1
1 {} {0.58398654463 0.216913471558 0.152346273086} H32 62 1
1 {} {0.667056518409 0.471658312831 0.540265137985} H33 63 1
1 {} {0.676731071139 0.500054014775 0.382913996536} H34 64 1
1 {} {0.608474124969 0.671238444362 0.60358030635} H35 65 1
1 {} {0.61963306649 0.556194565079 0.658620411365} H36 66 1
1 {} {0.555814813925 0.634345671898 0.415177406587} H37 67 1
1 {} {0.622577509164 0.704057823778 0.425613788352} H38 68 1
1 {} {0.600335122677 0.577381492633 0.267843191792} H39 69 1
1 {} {0.648321834565 0.619443715922 0.273642014869} H40 70 1
1 {} {0.710125401418 0.591797335075 0.651100942131} H41 71 1
1 {} {0.705723738181 0.668008534408 0.606109150798} H42 72 1
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