iterations/neb0_image02_iter25.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_image02

@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 {} {0.205094472967 0.52875440421 0.3098210223} C1 1 1
14 {} {0.259024824151 0.491728160565 0.268077464455} Si1 2 1
14 {} {0.158371066688 0.537200993635 0.228874054494} Si2 3 1
8 {} {0.271610381516 0.524751635314 0.170203476809} O1 4 1
8 {} {0.299015943699 0.511962898661 0.338933043881} O2 5 1
6 {} {0.257043109027 0.398552516816 0.261074369631} C2 6 1
6 {} {0.126837541565 0.457476087355 0.211112365786} C3 7 1
8 {} {0.182840322559 0.562932747566 0.134524239373} O3 8 1
8 {} {0.123055872735 0.59835991384 0.25588269025} O4 9 1
14 {} {0.350523444547 0.540940934648 0.344137427167} Si3 10 1
7 {} {0.385261345538 0.478048758935 0.385780062149} N1 11 1
14 {} {0.439651821557 0.476417432404 0.344768443757} Si4 12 1
14 {} {0.364899292809 0.423852635844 0.468551697885} Si5 13 1
7 {} {0.335698724382 0.461557570653 0.553950848326} N2 14 1
7 {} {0.461627789163 0.556107020437 0.350914611372} N3 15 1
1 {} {0.193484375818 0.50012556036 0.368286617585} H1 16 1
1 {} {0.21295878122 0.579594137232 0.333948375637} H2 17 1
1 {} {0.246125468368 0.544943476299 0.139428860746} H3 18 1
1 {} {0.251885794965 0.375499637125 0.326869090971} H4 19 1
1 {} {0.288765979565 0.379508525557 0.234310697609} H5 20 1
1 {} {0.23027813752 0.381493550413 0.216342108766} H6 21 1
1 {} {0.100340298768 0.463708976542 0.161033549077} H7 22 1
1 {} {0.111289833283 0.439748877462 0.273288944029} H8 23 1
1 {} {0.149251677979 0.41767573414 0.187497910474} H9 24 1
1 {} {0.164358075268 0.58614613106 0.0913813003412} H10 25 1
1 {} {0.0946669106008 0.585951487909 0.281917370672} H11 26 1
1 {} {0.366903952223 0.560961822485 0.254251526099} H12 27 1
1 {} {0.349362243254 0.599809269577 0.405190932109} H13 28 1
1 {} {0.463663241886 0.423987356069 0.397367256315} H14 29 1
1 {} {0.441765311507 0.459047149631 0.247977232755} H15 30 1
1 {} {0.333435601653 0.374698198911 0.428238567358} H16 31 1
1 {} {0.404362186003 0.38955044582 0.507789993586} H17 32 1
1 {} {0.304096316367 0.478052338795 0.542908202586} H18 33 1
1 {} {0.351678330504 0.492051996899 0.597898918668} H19 34 1
1 {} {0.484544701163 0.57106636556 0.304991438132} H20 35 1
1 {} {0.467390852836 0.578350833023 0.410792504611} H21 36 1
6 {} {0.655123272239 0.637130588911 0.502788779439} C4 37 1
14 {} {0.615623839997 0.573302162275 0.454998694731} Si6 38 1
14 {} {0.652719295352 0.723792001323 0.457977075863} Si7 39 1
8 {} {0.61321078461 0.581599549964 0.345370541406} O5 40 1
8 {} {0.635389921424 0.498551507507 0.479233719436} O6 41 1
6 {} {0.558561606059 0.579403453456 0.504243527908} C5 42 1
6 {} {0.605158663323 0.774253951001 0.502744686491} C6 43 1
8 {} {0.648416881984 0.712994188124 0.347492101794} O7 44 1
8 {} {0.700321224362 0.765207075534 0.473542369598} O8 45 1
14 {} {0.645959518392 0.420672705065 0.451277264683} Si8 46 1
7 {} {0.600650534155 0.368502232586 0.469553720522} N4 47 1
14 {} {0.581079425496 0.319214618015 0.380791062314} Si9 48 1
14 {} {0.575860999859 0.365044406899 0.575612867446} Si10 49 1
7 {} {0.611288732068 0.383980396763 0.662771640855} N5 50 1
7 {} {0.615976542649 0.256534826209 0.343439162178} N6 51 1
1 {} {0.650998438288 0.638647632769 0.575884049152} H22 52 1
1 {} {0.689199580071 0.618426349783 0.490325254383} H23 53 1
1 {} {0.625608969517 0.623874612116 0.323467323867} H24 54 1
1 {} {0.558635546511 0.569542488157 0.576389430913} H25 55 1
1 {} {0.536573013883 0.542381866607 0.472395656927} H26 56 1
1 {} {0.544082391665 0.629333445059 0.493204406946} H27 57 1
1 {} {0.604404410291 0.824657741841 0.473296231245} H28 58 1
1 {} {0.607200277501 0.779791505922 0.575682901212} H29 59 1
1 {} {0.573088507004 0.750099705218 0.487543872948} H30 60 1
1 {} {0.656481899356 0.750374289251 0.309530909365} H31 61 1
1 {} {0.700691895628 0.800176384023 0.518221366994} H32 62 1
1 {} {0.657455449317 0.415607782646 0.354598610167} H33 63 1
1 {} {0.685136938148 0.400301404934 0.506189479315} H34 64 1
1 {} {0.539296431329 0.287379022038 0.413792259914} H35 65 1
1 {} {0.572889492736 0.362149078383 0.301371933712} H36 66 1
1 {} {0.538699524209 0.414451969096 0.582268672222} H37 67 1
1 {} {0.55878013193 0.295656628786 0.587682781886} H38 68 1
1 {} {0.617647606382 0.432462782643 0.677788495826} H39 69 1
1 {} {0.638105927474 0.354871640542 0.676031384327} H40 70 1
1 {} {0.640642057374 0.267620755555 0.299249189806} H41 71 1
1 {} {0.625554105338 0.218696605118 0.384739483706} 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