./iterations/neb0_image02_iter8.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_image02
@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 {} {0.351093630901 0.555080094775 0.421923086903} C1 1 1
14 {} {0.332040401542 0.522074125083 0.532971627157} Si1 2 1
14 {} {0.406327247672 0.597214445355 0.417705004841} Si2 3 1
8 {} {0.335324437467 0.582314136857 0.608216852695} O1 4 1
8 {} {0.279068642127 0.500050310738 0.525009103757} O2 5 1
6 {} {0.363701753173 0.446100258373 0.568353876623} C2 6 1
6 {} {0.455413603035 0.539612738252 0.411439045093} C3 7 1
8 {} {0.407943087051 0.641621621419 0.512785447299} O3 8 1
8 {} {0.406657273279 0.648116812172 0.329934838027} O4 9 1
14 {} {0.226820341084 0.505666444031 0.555603364106} Si3 10 1
7 {} {0.207176230513 0.426970932122 0.587050361872} N1 11 1
14 {} {0.171131617585 0.422674981133 0.678923304271} Si4 12 1
14 {} {0.222783456441 0.35694853625 0.52301448337} Si5 13 1
7 {} {0.223987085476 0.369306575225 0.409440486169} N2 14 1
7 {} {0.123604770494 0.470969748556 0.671747200679} N3 15 1
1 {} {0.350659301819 0.514658634702 0.37187191862} H1 16 1
1 {} {0.32617415279 0.592230307164 0.399890799116} H2 17 1
1 {} {0.359107514746 0.614498029089 0.595145908304} H3 18 1
1 {} {0.360378080774 0.405104569616 0.519851291229} H4 19 1
1 {} {0.351030554462 0.428043436792 0.632856162305} H5 20 1
1 {} {0.399421717774 0.457091558803 0.576634879968} H6 21 1
1 {} {0.487206240083 0.567260397014 0.410662703561} H7 22 1
1 {} {0.453993891668 0.509015193634 0.350458837305} H8 23 1
1 {} {0.45638602126 0.505436522119 0.468871651345} H9 24 1
1 {} {0.433195579809 0.670952845331 0.523085490132} H10 25 1
1 {} {0.435016188582 0.656892350302 0.301128058259} H11 26 1
1 {} {0.221039812559 0.551352063024 0.633605447536} H12 27 1
1 {} {0.201306684054 0.532262891664 0.477901254234} H13 28 1
1 {} {0.158258622758 0.350955287297 0.687045799029} H14 29 1
1 {} {0.194180443555 0.446996280742 0.760797054103} H15 30 1
1 {} {0.268690663314 0.335290132457 0.548000526914} H16 31 1
1 {} {0.189645530004 0.303574009911 0.543392035623} H17 32 1
1 {} {0.250417661014 0.393335143098 0.381554650408} H18 33 1
1 {} {0.1955169812 0.38001482786 0.375503768695} H19 34 1
1 {} {0.123440264999 0.518568037174 0.695493517549} H20 35 1
1 {} {0.100957217767 0.465025110256 0.6219611697} H21 36 1
6 {} {0.590853873561 0.327591151716 0.309982523302} C4 37 1
14 {} {0.586089477753 0.361121417297 0.426948136604} Si6 38 1
14 {} {0.574914664456 0.238557068002 0.292038716234} Si7 39 1
8 {} {0.614707990001 0.312040095523 0.495016680552} O5 40 1
8 {} {0.608716042075 0.436102598272 0.431972633507} O6 41 1
6 {} {0.526826206084 0.3698585488 0.463591649526} C5 42 1
6 {} {0.514014713992 0.227869528516 0.268425802109} C6 43 1
8 {} {0.590168459773 0.199855242369 0.386320083743} O7 44 1
8 {} {0.604635871838 0.201555304421 0.212149003061} O8 45 1
14 {} {0.6524498602 0.48103166182 0.460610258732} Si8 46 1
7 {} {0.6369814954 0.562063488968 0.487795099481} N4 47 1
14 {} {0.643285255927 0.589670692784 0.597924912368} Si9 48 1
14 {} {0.613018520674 0.615742425071 0.408452330222} Si10 49 1
7 {} {0.624041954167 0.596664849522 0.299013909541} N5 50 1
7 {} {0.696355940401 0.609554928065 0.634312596851} N6 51 1
1 {} {0.571438651489 0.359355271016 0.26402240003} H22 52 1
1 {} {0.626187956432 0.332722726238 0.290392290292} H23 53 1
1 {} {0.613160754817 0.264936905264 0.477486950691} H24 54 1
1 {} {0.507705172214 0.402832898086 0.419019966526} H25 55 1
1 {} {0.525602357964 0.391326287841 0.531116328645} H26 56 1
1 {} {0.510037301756 0.320957431598 0.465945701179} H27 57 1
1 {} {0.504682657517 0.174766475282 0.263790486154} H28 58 1
1 {} {0.504757962486 0.252046748768 0.205074645218} H29 59 1
1 {} {0.493592067982 0.250774411322 0.321168689178} H30 60 1
1 {} {0.592880017485 0.151510281339 0.384073931765} H31 61 1
1 {} {0.591421113522 0.197496075049 0.153469212365} H32 62 1
1 {} {0.674475712757 0.452223149492 0.541312740135} H33 63 1
1 {} {0.68416379004 0.48060742134 0.383997974657} H34 64 1
1 {} {0.61592509793 0.651866818725 0.604753738328} H35 65 1
1 {} {0.627075654016 0.536764815293 0.659869257693} H36 66 1
1 {} {0.563288870505 0.614911868522 0.416343468233} H37 67 1
1 {} {0.6300259661 0.68458358268 0.426795907345} H38 68 1
1 {} {0.60775407357 0.557932283724 0.268993867187} H39 69 1
1 {} {0.655842897522 0.600017290903 0.274694327336} H40 70 1
1 {} {0.717531142923 0.572408652057 0.652177346123} H41 71 1
1 {} {0.713125718634 0.648526543952 0.607201739727} H42 72 1
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