iterations/neb0_image06_iter174.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.47564106202 0.225389688234 0.486569446776} O1 1 1
14 {} {0.332008577156 0.22078879967 0.566792691253} Si1 2 1
14 {} {0.608337046736 0.315315022799 0.453332643165} Si2 3 1
8 {} {0.569320804835 0.473346931208 0.448910525952} O2 4 1
8 {} {0.304811727947 0.354065052895 0.659346812451} O3 5 1
14 {} {0.285758105608 0.518088740343 0.657299425091} Si3 6 1
14 {} {0.484397564384 0.611982413167 0.44592497925} Si4 7 1
1 {} {0.3383222395 0.106223491429 0.660197025295} H1 8 1
1 {} {0.224054412581 0.205354481107 0.464468027498} H2 9 1
1 {} {0.661687460022 0.282851279822 0.319516471853} H3 10 1
1 {} {0.707814659376 0.294636144454 0.561371353527} H4 11 1
1 {} {0.143871328363 0.543540979224 0.695726551226} H5 12 1
1 {} {0.375401387863 0.582694514836 0.756462675986} H6 13 1
1 {} {0.392550207949 0.818872260276 0.517054082017} H7 14 1
1 {} {0.470430262142 0.657356905355 0.304093057756} H8 15 1
1 {} {0.579800230986 0.70400791059 0.517105114747} H10 16 1
8 {} {0.330130311356 0.575900153516 0.507471647742} O 17 1
1 {} {0.325748546431 0.782103061363 0.50941552295} 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