./iterations/neb0_image09_iter107.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471921453712 0.214438856777 0.494335738431} O1 1 1
14 {} {0.335372675698 0.21614964828 0.585659209515} Si1 2 1
14 {} {0.603306550907 0.299429429227 0.444756341302} Si2 3 1
8 {} {0.561592889701 0.452194776764 0.401091547225} O2 4 1
8 {} {0.327368996024 0.353463836888 0.676137684744} O3 5 1
14 {} {0.296840031366 0.514957545713 0.67046444616} Si3 6 1
14 {} {0.507222255493 0.598839383819 0.451249310024} Si4 7 1
1 {} {0.339106696545 0.1012500254 0.679599506499} H1 8 1
1 {} {0.218098946185 0.210378747352 0.494089111325} H2 9 1
1 {} {0.658964021362 0.231928502296 0.325017875551} H3 10 1
1 {} {0.70205059547 0.306814387592 0.556113445292} H4 11 1
1 {} {0.150566262855 0.53818837208 0.65702534152} H5 12 1
1 {} {0.35137885006 0.574943674598 0.795099045113} H6 13 1
1 {} {0.322878050802 0.881742273339 0.415122996459} H7 14 1
1 {} {0.476651688947 0.678402504073 0.329730743032} H8 15 1
1 {} {0.611824593699 0.66400054722 0.534875111556} H10 16 1
8 {} {0.370065664955 0.582974615208 0.539412592889} O 17 1
1 {} {0.30487594076 0.852420850366 0.481277917739} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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