./iterations/neb0_image01_iter53.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467712976247 0.240499173987 0.472331841317} O1 1 1
14 {} {0.32831124276 0.248918392731 0.559031720532} Si1 2 1
14 {} {0.598247808495 0.331309972421 0.43105038467} Si2 3 1
8 {} {0.551447597796 0.475331074767 0.368472462803} O2 4 1
8 {} {0.333800562682 0.379896395587 0.65827584726} O3 5 1
14 {} {0.265270466476 0.514772011862 0.722675764128} Si3 6 1
14 {} {0.530070227034 0.63812586879 0.37429437903} Si4 7 1
1 {} {0.319260937173 0.125222717095 0.641187938873} H1 8 1
1 {} {0.213424144264 0.260200456276 0.464899522386} H2 9 1
1 {} {0.671226996208 0.256272854051 0.325932190761} H3 10 1
1 {} {0.682974636707 0.355043358235 0.551391648631} H4 11 1
1 {} {0.120271035297 0.491563910687 0.745749511742} H5 12 1
1 {} {0.341335145529 0.543672547458 0.847384221887} H6 13 1
1 {} {0.387534525033 0.670639885143 0.345782672405} H7 14 1
1 {} {0.617975678119 0.703112538619 0.273266137246} H8 15 1
1 {} {0.565057338631 0.690307572145 0.510262069329} H10 16 1
8 {} {0.269798928198 0.643661079045 0.619753300772} O 17 1
1 {} {0.346365902183 0.703968146107 0.61931637054} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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