./iterations/neb0_image09_iter251.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 {} {0.47247223582 0.214304316024 0.494488860714} O1 1 1
14 {} {0.333316560739 0.214873480092 0.581629297558} Si1 2 1
14 {} {0.606648195959 0.295302423184 0.445833277531} Si2 3 1
8 {} {0.570358999841 0.450641849909 0.406332259296} O2 4 1
8 {} {0.322837626129 0.350059739734 0.674890237989} O3 5 1
14 {} {0.300667013107 0.513085394598 0.672095455335} Si3 6 1
14 {} {0.511877545493 0.596942976063 0.4525324571} Si4 7 1
1 {} {0.334131409239 0.0974705854676 0.672287585838} H1 8 1
1 {} {0.219075859533 0.21034357887 0.486224622198} H2 9 1
1 {} {0.658907431841 0.228506560569 0.324181791651} H3 10 1
1 {} {0.706102101145 0.294652253236 0.556768606743} H4 11 1
1 {} {0.155843937238 0.544324257294 0.659358710696} H5 12 1
1 {} {0.358974509959 0.567153146838 0.797911714153} H6 13 1
1 {} {0.31497191772 0.916174244265 0.434145172245} H7 14 1
1 {} {0.475128692766 0.672698746943 0.330084418886} H8 15 1
1 {} {0.615091134539 0.667213024434 0.534138784784} H10 16 1
8 {} {0.375018241256 0.580088447287 0.542221486394} O 17 1
1 {} {0.278662738516 0.858682908479 0.465932904105} 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