./iterations/neb0_image08_iter233.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472498608378 0.22466170742 0.493259604574} O1 1 1
14 {} {0.331205210142 0.21890228578 0.576908135397} Si1 2 1
14 {} {0.613765841612 0.297136902272 0.451796279094} Si2 3 1
8 {} {0.591873568226 0.456537590037 0.419688270184} O2 4 1
8 {} {0.313526180008 0.349492210938 0.675445387014} O3 5 1
14 {} {0.300750408587 0.513426928371 0.66768760938} Si3 6 1
14 {} {0.511732148497 0.596446860018 0.447096180594} Si4 7 1
1 {} {0.331807333609 0.0974481476571 0.661978604204} H1 8 1
1 {} {0.219862684576 0.214460404124 0.478126195259} H2 9 1
1 {} {0.663023951033 0.230464637392 0.328781935567} H3 10 1
1 {} {0.710302016053 0.282974343569 0.564396902695} H4 11 1
1 {} {0.157725995151 0.552900756963 0.658977735801} H5 12 1
1 {} {0.365968728113 0.568224885553 0.789704733201} H6 13 1
1 {} {0.311248310632 0.911170036484 0.47386787688} H7 14 1
1 {} {0.472232234934 0.652940341276 0.317233362701} H8 15 1
1 {} {0.598456679958 0.686395995993 0.526516665008} H10 16 1
8 {} {0.37331289223 0.571010296619 0.53246547506} O 17 1
1 {} {0.270793464583 0.847923549325 0.467126760552} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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