iterations/neb0_image07_iter74.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470054691655 0.220696201928 0.486929323498} O1 1 1
14 {} {0.332037150412 0.224340492438 0.575292214606} Si1 2 1
14 {} {0.599186983402 0.312769107161 0.443829531847} Si2 3 1
8 {} {0.551492002937 0.46320603921 0.403417575908} O2 4 1
8 {} {0.329558513173 0.354313894284 0.676172477773} O3 5 1
14 {} {0.299000957018 0.515722512575 0.678871291657} Si3 6 1
14 {} {0.502637910962 0.61051409559 0.454922429782} Si4 7 1
1 {} {0.326694008298 0.102907509121 0.659183155696} H1 8 1
1 {} {0.217613998726 0.23277240696 0.48191075835} H2 9 1
1 {} {0.661832233905 0.255853854029 0.322265832615} H3 10 1
1 {} {0.69210879464 0.324649163767 0.559201340131} H4 11 1
1 {} {0.152164681436 0.539177217909 0.67057457666} H5 12 1
1 {} {0.354944136922 0.570419452499 0.80588431356} H6 13 1
1 {} {0.350940608915 0.817189331674 0.421865104682} H7 14 1
1 {} {0.481736625787 0.684029973081 0.327986172436} H8 15 1
1 {} {0.604085680412 0.680355809295 0.538755305052} H10 16 1
8 {} {0.368723819205 0.587904815725 0.549056391149} O 17 1
1 {} {0.315273335178 0.775696088386 0.474940161841} 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