./iterations/neb0_image09_iter202.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 {} {0.471920649799 0.21585445302 0.493959623086} O1 1 1
14 {} {0.333385993247 0.215076822563 0.581801675024} Si1 2 1
14 {} {0.605856823957 0.29754599429 0.444663280664} Si2 3 1
8 {} {0.56910699476 0.451846101266 0.402203107447} O2 4 1
8 {} {0.322976163899 0.349380173817 0.676965853458} O3 5 1
14 {} {0.299582462577 0.51208286214 0.673119461167} Si3 6 1
14 {} {0.511240562182 0.597343208876 0.452493797139} Si4 7 1
1 {} {0.335057034301 0.0967925552251 0.671521696844} H1 8 1
1 {} {0.218330252818 0.21232846277 0.487020871673} H2 9 1
1 {} {0.659402299864 0.229196619878 0.324332858732} H3 10 1
1 {} {0.704881936095 0.300904279263 0.556041994441} H4 11 1
1 {} {0.154418298952 0.541752528758 0.65940710695} H5 12 1
1 {} {0.356643672711 0.568339520072 0.798454623186} H6 13 1
1 {} {0.317913825734 0.9083470003 0.42840790639} H7 14 1
1 {} {0.474114828474 0.674639112883 0.331525536983} H8 15 1
1 {} {0.615060482781 0.666326062686 0.534395576812} H10 16 1
8 {} {0.375084834977 0.578127220574 0.543321249766} O 17 1
1 {} {0.285108988513 0.856634973119 0.471421448671} 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