iterations/neb0_image01_iter5.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_image01
@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 {} {0.349275058393 0.559905800909 0.421620393153} C1 1 1
14 {} {0.330191185479 0.526863042076 0.532671135311} Si1 2 1
14 {} {0.404468034817 0.602013509861 0.417426191923} Si2 3 1
8 {} {0.333475941315 0.587171088822 0.60794320328} O1 4 1
8 {} {0.27732362371 0.504927484567 0.524731063294} O2 5 1
6 {} {0.361871251107 0.450928114795 0.568078231644} C2 6 1
6 {} {0.453586787584 0.544423287901 0.411161897818} C3 7 1
8 {} {0.406119617196 0.646421564716 0.512521280625} O3 8 1
8 {} {0.404827851515 0.652941750659 0.329657441824} O4 9 1
14 {} {0.22494720658 0.510483822869 0.555369598502} Si3 10 1
7 {} {0.205333669103 0.431800846954 0.586782443476} N1 11 1
14 {} {0.169291815655 0.427471253777 0.678614173887} Si4 12 1
14 {} {0.220929219521 0.361797488548 0.522817391704} Si5 13 1
7 {} {0.222151051087 0.374177828339 0.409231100395} N2 14 1
7 {} {0.121782690255 0.47579400884 0.671466693752} N3 15 1
1 {} {0.348817867104 0.519465796093 0.371590923397} H1 16 1
1 {} {0.32433238304 0.597060377015 0.399626794355} H2 17 1
1 {} {0.35725352995 0.619304814516 0.594889496355} H3 18 1
1 {} {0.358540111067 0.409931888755 0.519577505382} H4 19 1
1 {} {0.349189518564 0.432873078287 0.632576992533} H5 20 1
1 {} {0.397576031457 0.461907145343 0.576366963955} H6 21 1
1 {} {0.485362103655 0.572063594042 0.410386515055} H7 22 1
1 {} {0.452156044156 0.513826962249 0.350193988453} H8 23 1
1 {} {0.45454363537 0.510244828891 0.468602880317} H9 24 1
1 {} {0.431354083755 0.675748594048 0.522822906423} H10 25 1
1 {} {0.433169160324 0.661713904687 0.300869012713} H11 26 1
1 {} {0.219194314808 0.556171700322 0.633359047637} H12 27 1
1 {} {0.199457367754 0.537073197242 0.477643430065} H13 28 1
1 {} {0.156404339175 0.355746499188 0.686768417947} H14 29 1
1 {} {0.192330222407 0.451791052784 0.760535373806} H15 30 1
1 {} {0.266858985199 0.340098258768 0.547749414699} H16 31 1
1 {} {0.187799136906 0.308372161874 0.543126810659} H17 32 1
1 {} {0.248584356866 0.398159511875 0.381291715921} H18 33 1
1 {} {0.193675692502 0.384825139247 0.375230136313} H19 34 1
1 {} {0.121591715701 0.523375254774 0.695227969374} H20 35 1
1 {} {0.0991153480895 0.469843538411 0.621686121771} H21 36 1
6 {} {0.592700999392 0.322765690556 0.310250892317} C4 37 1
14 {} {0.587913156923 0.356299230284 0.427210976135} Si6 38 1
14 {} {0.576735369352 0.233678018069 0.292333248113} Si7 39 1
8 {} {0.616546351888 0.307253178031 0.495255640463} O5 40 1
8 {} {0.610572667597 0.431389072724 0.432238461265} O6 41 1
6 {} {0.528670897528 0.365033794397 0.463867891866} C5 42 1
6 {} {0.515844272156 0.223074014956 0.268699895963} C6 43 1
8 {} {0.5920347283 0.19504284813 0.386603813994} O7 44 1
8 {} {0.60646520589 0.196673847653 0.21245477344} O8 45 1
14 {} {0.654304891686 0.47620073149 0.460948840927} Si8 46 1
7 {} {0.638761827963 0.557278024763 0.487724923215} N4 47 1
14 {} {0.645229983581 0.584936332714 0.598429498832} Si9 48 1
14 {} {0.614849254855 0.610945614562 0.408955518816} Si10 49 1
7 {} {0.62594872837 0.591846767182 0.298855819463} N5 50 1
7 {} {0.698021537548 0.604632015495 0.634452673354} N6 51 1
1 {} {0.573279450385 0.354526871063 0.264295987664} H22 52 1
1 {} {0.628024513091 0.327902080315 0.290652850364} H23 53 1
1 {} {0.614996161164 0.260119294687 0.477763614318} H24 54 1
1 {} {0.509538048823 0.398019169311 0.41928746035} H25 55 1
1 {} {0.527445788422 0.38650470537 0.531372098368} H26 56 1
1 {} {0.511875454685 0.316122011362 0.466230025841} H27 57 1
1 {} {0.50651063079 0.169959373251 0.264044384032} H28 58 1
1 {} {0.5066095217 0.247241522709 0.205329202681} H29 59 1
1 {} {0.495423577887 0.245986214434 0.321426744157} H30 60 1
1 {} {0.59469361626 0.146696234447 0.384355430211} H31 61 1
1 {} {0.593255280756 0.192667037593 0.153719285259} H32 62 1
1 {} {0.676303228723 0.447401804683 0.541531872535} H33 63 1
1 {} {0.686022717016 0.475789414211 0.384246447468} H34 64 1
1 {} {0.61775975568 0.647088117092 0.60505420293} H35 65 1
1 {} {0.628910047134 0.531914437438 0.660256958658} H36 66 1
1 {} {0.565189298019 0.610045875522 0.416635737746} H37 67 1
1 {} {0.631856669737 0.67972534905 0.427127004243} H38 68 1
1 {} {0.609622143553 0.55313803401 0.269338227527} H39 69 1
1 {} {0.657619004252 0.595213937061 0.275053409819} H40 70 1
1 {} {0.719416957461 0.567535712214 0.652463666296} H41 71 1
1 {} {0.714999279215 0.643761757499 0.607404174754} H42 72 1
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