./iterations/neb0_image08_iter289.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 {} {0.474419499409 0.21205026168 0.493870573183} O1 1 1
14 {} {0.33449194107 0.214110980451 0.579885429026} Si1 2 1
14 {} {0.610492174185 0.29343863312 0.453434439523} Si2 3 1
8 {} {0.580586345163 0.452888964236 0.430964405864} O2 4 1
8 {} {0.318460558015 0.354574360207 0.66328706376} O3 5 1
14 {} {0.296217278144 0.517102421333 0.657315696805} Si3 6 1
14 {} {0.504645920486 0.596872511967 0.442912908295} Si4 7 1
1 {} {0.336162140504 0.104806344578 0.679259634751} H1 8 1
1 {} {0.223152395369 0.201058800381 0.483158578663} H2 9 1
1 {} {0.663342514331 0.239078148765 0.32515836004} H3 10 1
1 {} {0.709270125213 0.278822601035 0.563967408951} H4 11 1
1 {} {0.150602910884 0.547348005978 0.659849831202} H5 12 1
1 {} {0.367268737706 0.577139124565 0.77348914254} H6 13 1
1 {} {0.318692826003 0.912169592155 0.46887298507} H7 14 1
1 {} {0.478093192931 0.64997991934 0.306723329673} H8 15 1
1 {} {0.591313425188 0.688514675028 0.521464539886} H10 16 1
8 {} {0.359017063798 0.579003009464 0.518505737621} O 17 1
1 {} {0.293857090755 0.853559460715 0.508937724352} 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