./neb0_image10.sci output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
#MD System 2.0
@Title neb0_image10
@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 {} {0.22572378182 0.52490391103 0.343261203607} C1 1 1
14 {} {0.279664922303 0.487938803698 0.301410522773} Si1 2 1
14 {} {0.179017637099 0.533429099625 0.262291519046} Si2 3 1
8 {} {0.292288810662 0.521152784626 0.203671227939} O1 4 1
8 {} {0.319608723461 0.508206113773 0.372429957656} O2 5 1
6 {} {0.277689431891 0.394740587182 0.294400719251} C2 6 1
6 {} {0.147491055032 0.453701402049 0.24451027773} C3 7 1
8 {} {0.203521221574 0.559221898773 0.167987465798} O3 8 1
8 {} {0.1436723956 0.594597428007 0.28911992728} O4 9 1
14 {} {0.371108084466 0.53711618329 0.377476890448} Si3 10 1
7 {} {0.40585418552 0.474209217545 0.419112297653} N1 11 1
14 {} {0.460302737423 0.472684694 0.378279903607} Si4 12 1
14 {} {0.385468431209 0.420022658994 0.50191162446} Si5 13 1
7 {} {0.356355281427 0.457856554811 0.587318018252} N2 14 1
7 {} {0.482274722775 0.552419023358 0.384465952886} N3 15 1
1 {} {0.214105063581 0.49631130898 0.401768763787} H1 16 1
1 {} {0.233537417338 0.575742765985 0.367463750926} H2 17 1
1 {} {0.266706058761 0.541138871874 0.17293007423} H3 18 1
1 {} {0.27253371328 0.371807158066 0.360288940384} H4 19 1
1 {} {0.309415280029 0.375768901724 0.267602878287} H5 20 1
1 {} {0.250913331614 0.377644662738 0.24968777596} H6 21 1
1 {} {0.120968720268 0.459862308113 0.194461877296} H7 22 1
1 {} {0.131958186256 0.435936241079 0.306680966684} H8 23 1
1 {} {0.16989870532 0.413902813561 0.220884002034} H9 24 1
1 {} {0.185043675129 0.582333807172 0.124746380665} H10 25 1
1 {} {0.115295340403 0.582219608229 0.315228287789} H11 26 1
1 {} {0.387506652579 0.557104832737 0.287542257664} H12 27 1
1 {} {0.369976815548 0.596002304151 0.438568021845} H13 28 1
1 {} {0.484312744453 0.420255313114 0.430896069973} H14 29 1
1 {} {0.462402715707 0.4553591416 0.281461051841} H15 30 1
1 {} {0.353983019244 0.3708530899 0.461653214534} H16 31 1
1 {} {0.424935677032 0.385788402999 0.541229142446} H17 32 1
1 {} {0.324732203843 0.474316248309 0.576384557804} H18 33 1
1 {} {0.372379411616 0.488220804616 0.631350853457} H19 34 1
1 {} {0.505133112466 0.567332867222 0.338404151974} H20 35 1
1 {} {0.488091276548 0.574542492377 0.444428355092} H21 36 1
6 {} {0.634473028892 0.640900356929 0.469444745747} C4 37 1
14 {} {0.594980656609 0.577059174511 0.421509512067} Si6 38 1
14 {} {0.632105006361 0.727536129938 0.424576121237} Si7 39 1
8 {} {0.592714832892 0.585338196422 0.31186307777} O5 40 1
8 {} {0.614665893691 0.502300057166 0.445780164441} O6 41 1
6 {} {0.537880510343 0.583203885695 0.470537126632} C5 42 1
6 {} {0.584530497654 0.777987421054 0.469291582681} C6 43 1
8 {} {0.627784731507 0.71680430859 0.314125301573} O7 44 1
8 {} {0.679751979703 0.768893268409 0.440253201103} O8 45 1
14 {} {0.625293011831 0.424442762103 0.417889400297} Si8 46 1
7 {} {0.579956681842 0.372246209012 0.43600413344} N4 47 1
14 {} {0.560400049322 0.323051510147 0.347497110187} Si9 48 1
14 {} {0.555303398611 0.368955119126 0.542531320424} Si10 49 1
7 {} {0.59049669389 0.387704816387 0.629459623482} N5 50 1
7 {} {0.595451323278 0.26035481748 0.310236310779} N6 51 1
1 {} {0.630333351876 0.642440285926 0.542520057686} H22 52 1
1 {} {0.668533759125 0.622074937302 0.456984265566} H23 53 1
1 {} {0.60501406608 0.627700526382 0.290060575768} H24 54 1
1 {} {0.538061251532 0.573228560097 0.542684097369} H25 55 1
1 {} {0.515799772454 0.546258127124 0.438760674653} H26 56 1
1 {} {0.523459724621 0.633177648137 0.459720544862} H27 57 1
1 {} {0.583784622931 0.828426477946 0.439919777772} H28 58 1
1 {} {0.586595289837 0.783512185645 0.542222181353} H29 59 1
1 {} {0.552468838534 0.753819894081 0.454090996243} H30 60 1
1 {} {0.635836634926 0.754179116223 0.276172173745} H31 61 1
1 {} {0.680080876016 0.803943533639 0.484869434326} H32 62 1
1 {} {0.636839020885 0.419376269914 0.321158284269} H33 63 1
1 {} {0.664469969054 0.404056625236 0.472673297907} H34 64 1
1 {} {0.518630662447 0.291014979581 0.3803880588} H35 65 1
1 {} {0.552244215622 0.365900266459 0.267920260109} H36 66 1
1 {} {0.518114377134 0.418345340573 0.548689848554} H37 67 1
1 {} {0.53808059952 0.299553546026 0.554216485475} H38 68 1
1 {} {0.59708281154 0.43629619977 0.644423040533} H39 69 1
1 {} {0.617510438462 0.358595946519 0.64254945726} H40 70 1
1 {} {0.62007111069 0.271403877744 0.265989415569} H41 71 1
1 {} {0.60500762463 0.222576268805 0.351487585078} H42 72 1
@end
@Columns Cell
Constraints string {a b c A B G}
Origin int {{0 0 0}}
Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}}
PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
SpaceGroup string P1
SpaceGroupNumber int 1
ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
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@data
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@end
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Atom1 reference AsymmetricAtom
Atom2 reference AsymmetricAtom
Key int 0
Order int 0
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@end
@Columns Bond
AsymmetricBond reference AsymmetricBond
Atom1 reference Atom
Atom2 reference Atom
CellOffset2 int {{0 0 0}}
Key int 0
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@data
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Color string {{#65d9f0}}
Criteria string {{}}
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Type string atom
UseColor int 0
@end
@data
@end