./iterations/neb0_image02_iter115.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467862873996 0.239186170586 0.479965197206} O1 1 1
14 {} {0.329610633546 0.242731546626 0.568893269756} Si1 2 1
14 {} {0.593334787976 0.333814238523 0.431917845166} Si2 3 1
8 {} {0.538410755887 0.47695499681 0.374138050901} O2 4 1
8 {} {0.328895851862 0.373246087445 0.668285398828} O3 5 1
14 {} {0.263034873978 0.515623995197 0.716919643158} Si3 6 1
14 {} {0.534645870995 0.641631726913 0.375444862914} Si4 7 1
1 {} {0.326584463083 0.119290950962 0.652266019679} H1 8 1
1 {} {0.212895557819 0.247667218473 0.476353187674} H2 9 1
1 {} {0.661182705401 0.261179060829 0.321798527119} H3 10 1
1 {} {0.684378792359 0.357655696281 0.547807782246} H4 11 1
1 {} {0.117878761066 0.495963060686 0.737940616496} H5 12 1
1 {} {0.334734068261 0.557244597536 0.840612861929} H6 13 1
1 {} {0.395816050425 0.689178699744 0.349238204781} H7 14 1
1 {} {0.62573731085 0.693880843507 0.269866412512} H8 15 1
1 {} {0.579356788691 0.692622829816 0.508862391202} H10 16 1
8 {} {0.276048916178 0.631432325931 0.599325653916} O 17 1
1 {} {0.3396770484 0.703213939918 0.611422091554} 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