iterations/neb0_image05_iter71.sci output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)

Status: terminated
#MD System 2.0

@Title neb0_image05

@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 {} {0.206572610045 0.527937189318 0.319253185606} C1 1 1
14 {} {0.260519933935 0.493124441686 0.272455957155} Si1 2 1
14 {} {0.159764877383 0.538269368723 0.23352986217} Si2 3 1
8 {} {0.274551327784 0.53951226516 0.182231833782} O1 4 1
8 {} {0.302404440698 0.5031093819 0.33896831974} O2 5 1
6 {} {0.259095266845 0.400327144841 0.260194397385} C2 6 1
6 {} {0.127555049101 0.458516185757 0.215366648461} C3 7 1
8 {} {0.186356471916 0.559851322951 0.13749944039} O3 8 1
8 {} {0.124561234674 0.60254212578 0.24877157266} O4 9 1
14 {} {0.356722128427 0.538547021791 0.350306379837} Si3 10 1
7 {} {0.395873130514 0.485037588428 0.402646212287} N1 11 1
14 {} {0.460025342213 0.479016058525 0.40105324287} Si4 12 1
14 {} {0.368306527974 0.427143459466 0.480539603922} Si5 13 1
7 {} {0.339033483394 0.464854762201 0.555633480037} N2 14 1
7 {} {0.527849231928 0.546336137548 0.474380064482} N3 15 1
1 {} {0.193869026428 0.496981347069 0.375228668993} H1 16 1
1 {} {0.212633923397 0.579984372936 0.343516821482} H2 17 1
1 {} {0.245307999171 0.546719518278 0.14603349958} H3 18 1
1 {} {0.25606644115 0.380691071781 0.328125061623} H4 19 1
1 {} {0.291723400241 0.383859305598 0.235554479693} H5 20 1
1 {} {0.23285889588 0.380802450047 0.218424892489} H6 21 1
1 {} {0.100894659316 0.462271701869 0.163775238721} H7 22 1
1 {} {0.112823162637 0.437366443337 0.277780865889} H8 23 1
1 {} {0.153576647872 0.422300789469 0.190251243217} H9 24 1
1 {} {0.170679662442 0.582759845591 0.0940430737629} H10 25 1
1 {} {0.0969493068685 0.596433750896 0.277844636843} H11 26 1
1 {} {0.373187876262 0.561377854467 0.253506715751} H12 27 1
1 {} {0.351430887064 0.599997727544 0.401803384721} H13 28 1
1 {} {0.467889153484 0.381944931341 0.440949206116} H14 29 1
1 {} {0.461308121118 0.521603356681 0.290090114806} H15 30 1
1 {} {0.338136941715 0.381897319611 0.421721754777} H16 31 1
1 {} {0.406907454506 0.390486645161 0.50926675463} H17 32 1
1 {} {0.305896415945 0.477840188721 0.544268782637} H18 33 1
1 {} {0.358086081763 0.488401634533 0.600304171581} H19 34 1
1 {} {0.516879496152 0.599949035263 0.329353479} H20 35 1
1 {} {0.5733779105 0.552061977812 0.549900703381} H21 36 1
6 {} {0.624788511921 0.63429850138 0.499673944901} C4 37 1
14 {} {0.591955830436 0.564446757305 0.419828834663} Si6 38 1
14 {} {0.6427231609 0.720192179151 0.456291129754} Si7 39 1
8 {} {0.631328577455 0.568616408027 0.294121741546} O5 40 1
8 {} {0.616404096233 0.493803456839 0.47116130685} O6 41 1
6 {} {0.517490640071 0.576616916698 0.414315395712} C5 42 1
6 {} {0.601499525023 0.773565790978 0.501923073021} C6 43 1
8 {} {0.645457329904 0.709284009133 0.347085730684} O7 44 1
8 {} {0.693580529624 0.746548565952 0.479833320224} O8 45 1
14 {} {0.640099098175 0.419255832612 0.448417039864} Si8 46 1
7 {} {0.597347331586 0.362588509989 0.459600693042} N4 47 1
14 {} {0.585431909579 0.316978437956 0.387987652558} Si9 48 1
14 {} {0.567610915351 0.368877579746 0.564354224265} Si10 49 1
7 {} {0.618885215113 0.390804150633 0.676031938071} N5 50 1
7 {} {0.613160498611 0.262499741668 0.350228059533} N6 51 1
1 {} {0.632210987174 0.632685889311 0.57608327378} H22 52 1
1 {} {0.651019578553 0.589340863634 0.475194893801} H23 53 1
1 {} {0.635571497605 0.634179144445 0.309483887449} H24 54 1
1 {} {0.506726113872 0.525002816788 0.479345303104} H25 55 1
1 {} {0.472226923534 0.580648302274 0.35001152989} H26 56 1
1 {} {0.524953254456 0.659676501031 0.441380896786} H27 57 1
1 {} {0.602671612269 0.822052482236 0.470893150897} H28 58 1
1 {} {0.603976659115 0.776489304017 0.574838168119} H29 59 1
1 {} {0.571169028471 0.747545351454 0.484421239283} H30 60 1
1 {} {0.654048562707 0.751313595284 0.317616724132} H31 61 1
1 {} {0.696056117384 0.793597308035 0.516620538506} H32 62 1
1 {} {0.656100508033 0.415484505162 0.345544065089} H33 63 1
1 {} {0.679645424928 0.4015519361 0.49941634522} H34 64 1
1 {} {0.538148574434 0.287189827327 0.40655309984} H35 65 1
1 {} {0.570641251348 0.360568671555 0.297789925153} H36 66 1
1 {} {0.538685085964 0.420082171459 0.570798464258} H37 67 1
1 {} {0.556159645726 0.297622753471 0.586901946886} H38 68 1
1 {} {0.616680007067 0.418007746693 0.669015686033} H39 69 1
1 {} {0.629342598602 0.362229275399 0.668724368548} H40 70 1
1 {} {0.64541045931 0.271449250582 0.295908863572} H41 71 1
1 {} {0.628796627845 0.222353105215 0.397837903612} 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}}}
@end
@data
{a b c A B G} {0 0 0} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
56 41 0 0
50 47 0 0
2 0 0 0
58 42 0 0
44 38 0 0
70 50 0 0
69 49 0 0
34 14 0 0
48 46 0 0
52 36 0 0
6 2 0 0
49 48 0 0
62 45 0 0
21 6 0 0
7 2 0 0
22 6 0 0
8 2 0 0
27 9 0 0
33 13 0 0
37 36 0 0
23 6 0 0
59 42 0 0
12 10 0 0
54 41 0 0
51 36 0 0
61 44 0 0
16 0 0 0
19 5 0 0
20 5 0 0
13 12 0 0
1 0 0 0
43 38 0 0
10 9 0 0
68 49 0 0
53 39 0 0
3 1 0 0
47 46 0 0
60 43 0 0
4 1 0 0
18 5 0 0
5 1 0 0
67 48 0 0
26 9 0 0
32 13 0 0
46 45 0 0
17 3 0 0
11 10 0 0
9 4 0 0
15 0 0 0
25 8 0 0
31 12 0 0
42 38 0 0
64 47 0 0
24 7 0 0
29 11 0 0
40 37 0 0
39 37 0 0
41 37 0 0
66 48 0 0
57 42 0 0
38 36 0 0
65 47 0 0
30 12 0 0
28 11 0 0
71 50 0 0
45 40 0 0
35 14 0 0
55 41 0 0
14 11 0 0
63 45 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 56 41 {0 0 0} 0
1 47 50 {0 0 0} 0
2 0 2 {0 0 0} 0
3 58 42 {0 0 0} 0
4 38 44 {0 0 0} 0
5 50 70 {0 0 0} 0
6 49 69 {0 0 0} 0
7 14 34 {0 0 0} 0
8 46 48 {0 0 0} 0
9 36 52 {0 0 0} 0
10 2 6 {0 0 0} 0
11 48 49 {0 0 0} 0
12 45 62 {0 0 0} 0
13 21 6 {0 0 0} 0
14 7 2 {0 0 0} 0
15 22 6 {0 0 0} 0
16 8 2 {0 0 0} 0
17 9 27 {0 0 0} 0
18 13 33 {0 0 0} 0
19 36 37 {0 0 0} 0
20 23 6 {0 0 0} 0
21 59 42 {0 0 0} 0
22 10 12 {0 0 0} 0
23 41 54 {0 0 0} 0
24 51 36 {0 0 0} 0
25 44 61 {0 0 0} 0
26 0 16 {0 0 0} 0
27 5 19 {0 0 0} 0
28 5 20 {0 0 0} 0
29 12 13 {0 0 0} 0
30 0 1 {0 0 0} 0
31 38 43 {0 0 0} 0
32 10 9 {0 0 0} 0
33 49 68 {0 0 0} 0
34 39 53 {0 0 0} 0
35 3 1 {0 0 0} 0
36 46 47 {0 0 0} 0
37 43 60 {0 0 0} 0
38 4 1 {0 0 0} 0
39 18 5 {0 0 0} 0
40 1 5 {0 0 0} 0
41 48 67 {0 0 0} 0
42 9 26 {0 0 0} 0
43 13 32 {0 0 0} 0
44 45 46 {0 0 0} 0
45 3 17 {0 0 0} 0
46 10 11 {0 0 0} 0
47 4 9 {0 0 0} 0
48 15 0 {0 0 0} 0
49 8 25 {0 0 0} 0
50 12 31 {0 0 0} 0
51 38 42 {0 0 0} 0
52 64 47 {0 0 0} 0
53 7 24 {0 0 0} 0
54 11 29 {0 0 0} 0
55 40 37 {0 0 0} 0
56 39 37 {0 0 0} 0
57 37 41 {0 0 0} 0
58 66 48 {0 0 0} 0
59 42 57 {0 0 0} 0
60 38 36 {0 0 0} 0
61 65 47 {0 0 0} 0
62 30 12 {0 0 0} 0
63 28 11 {0 0 0} 0
64 50 71 {0 0 0} 0
65 45 40 {0 0 0} 0
66 14 35 {0 0 0} 0
67 55 41 {0 0 0} 0
68 11 14 {0 0 0} 0
69 63 45 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end