iterations/neb0_image09_iter121.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 {} {0.471885698569 0.214550925761 0.494066186566} O1 1 1
14 {} {0.335203868769 0.216192685846 0.585201835098} Si1 2 1
14 {} {0.603637364004 0.299298677561 0.444575422199} Si2 3 1
8 {} {0.561873112759 0.452084361821 0.40081200368} O2 4 1
8 {} {0.326924988865 0.353149321647 0.676506138158} O3 5 1
14 {} {0.297244565957 0.514792866348 0.670595872644} Si3 6 1
14 {} {0.508027893985 0.598863157899 0.451295496302} Si4 7 1
1 {} {0.338784280219 0.100759280544 0.678463141241} H1 8 1
1 {} {0.217862578279 0.210607559443 0.493654609949} H2 9 1
1 {} {0.658889619168 0.231159344823 0.324889276456} H3 10 1
1 {} {0.702364151182 0.307241419329 0.556143999107} H4 11 1
1 {} {0.151133802405 0.538499542996 0.657111512494} H5 12 1
1 {} {0.351592025759 0.574332719145 0.795612688814} H6 13 1
1 {} {0.322611196645 0.883632526205 0.415740476498} H7 14 1
1 {} {0.476087409529 0.67774974839 0.329973684862} H8 15 1
1 {} {0.61222624977 0.664679659086 0.535514777302} H10 16 1
8 {} {0.370220068623 0.582300904622 0.539941937286} O 17 1
1 {} {0.303517275935 0.852623281157 0.480958900962} 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