iterations/neb0_image04_iter181.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466364219603 0.252060054352 0.488215000171} O1 1 1
14 {} {0.326195930815 0.22980544929 0.570514836627} Si1 2 1
14 {} {0.592342741636 0.34630932564 0.442759501452} Si2 3 1
8 {} {0.541919511617 0.49879282906 0.414391626485} O2 4 1
8 {} {0.295235759968 0.350604586995 0.677241470868} O3 5 1
14 {} {0.255467692455 0.507216926613 0.705477171615} Si3 6 1
14 {} {0.560337157923 0.661253494758 0.398617372431} Si4 7 1
1 {} {0.339222278999 0.105593785136 0.651506695402} H1 8 1
1 {} {0.215003346795 0.219320444899 0.471471555987} H2 9 1
1 {} {0.647976280572 0.291189615402 0.316507657538} H3 10 1
1 {} {0.691616378912 0.344808572898 0.55351462944} H4 11 1
1 {} {0.111342840406 0.517417443059 0.74161189914} H5 12 1
1 {} {0.340825543556 0.555258644747 0.817486619006} H6 13 1
1 {} {0.431231581357 0.732920587012 0.418866916376} H7 14 1
1 {} {0.608950879378 0.691435601405 0.260810852159} H8 15 1
1 {} {0.657778876083 0.711606198384 0.500094684801} H10 16 1
8 {} {0.289118177487 0.590247592625 0.566859359068} O 17 1
1 {} {0.239156842557 0.666676705368 0.535110233812} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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