iterations/neb0_image02_iter267.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (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
@end
@data
8 {} {0.456720546371 0.266636989999 0.48856998979} O1 1 1
14 {} {0.326246387478 0.240640539351 0.583939094359} Si1 2 1
14 {} {0.583784584565 0.349739022304 0.427697882526} Si2 3 1
8 {} {0.533757842486 0.493124267401 0.365494184989} O2 4 1
8 {} {0.310879756047 0.356312301679 0.699129245513} O3 5 1
14 {} {0.242393298391 0.502674942451 0.733092581755} Si3 6 1
14 {} {0.563314755889 0.655150821268 0.356553580362} Si4 7 1
1 {} {0.345903244676 0.110471022616 0.652728601106} H1 8 1
1 {} {0.205021910122 0.238709125918 0.497599477746} H2 9 1
1 {} {0.64203149114 0.268163989535 0.318122759799} H3 10 1
1 {} {0.682087022943 0.376039424216 0.536905827074} H4 11 1
1 {} {0.0962161312876 0.485111810475 0.750700402482} H5 12 1
1 {} {0.31100578592 0.553564036235 0.855087940402} H6 13 1
1 {} {0.437652161361 0.721140600642 0.311875458744} H7 14 1
1 {} {0.673837710125 0.682597436917 0.260626164455} H8 15 1
1 {} {0.602645942891 0.708299903934 0.490880039911} H10 16 1
8 {} {0.255637663812 0.609471114307 0.608006194841} O 17 1
1 {} {0.340950134368 0.654670828532 0.594048393284} H14 18 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} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {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