./iterations/neb0_image03_iter197.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.458232793236 0.263762418126 0.492636922164} O1 1 1
14 {} {0.324056957557 0.236876568965 0.5824928402} Si1 2 1
14 {} {0.582765790973 0.350515087991 0.430911987141} Si2 3 1
8 {} {0.53073703893 0.493931829355 0.370610291678} O2 4 1
8 {} {0.30671985848 0.350456910999 0.699875843675} O3 5 1
14 {} {0.259976869844 0.503659342706 0.734134985625} Si3 6 1
14 {} {0.561033365283 0.656715305004 0.362708955615} Si4 7 1
1 {} {0.339428874985 0.105336671366 0.649011299267} H1 8 1
1 {} {0.206371525043 0.239597920085 0.491422489834} H2 9 1
1 {} {0.640631556235 0.269868061519 0.319407360743} H3 10 1
1 {} {0.683700225197 0.375579371548 0.53889238828} H4 11 1
1 {} {0.111028289732 0.513320317294 0.732360183421} H5 12 1
1 {} {0.317725908342 0.536462497853 0.866462975738} H6 13 1
1 {} {0.434469558438 0.72550553405 0.325573698545} H7 14 1
1 {} {0.662622649724 0.68186054468 0.2561522278} H8 15 1
1 {} {0.610470118061 0.70826349623 0.493988995027} H10 16 1
8 {} {0.321574781297 0.61191041288 0.624314883954} O 17 1
1 {} {0.258540047127 0.648895766515 0.560099431358} 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