./iterations/neb0_image05_iter285.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470408166611 0.278227366348 0.492763683662} O1 1 1
14 {} {0.326309087788 0.23641968159 0.557519930606} Si1 2 1
14 {} {0.615811824605 0.349018829064 0.474488139282} Si2 3 1
8 {} {0.610443131634 0.503264803682 0.527702127155} O2 4 1
8 {} {0.248238465498 0.365035924843 0.622529461821} O3 5 1
14 {} {0.229968142636 0.52668557965 0.649891058949} Si3 6 1
14 {} {0.580428295401 0.654131478931 0.465724510289} Si4 7 1
1 {} {0.344497444246 0.140936578704 0.669516896366} H1 8 1
1 {} {0.243340963548 0.178141817914 0.447141499499} H2 9 1
1 {} {0.646499799526 0.349487274859 0.32915148143} H3 10 1
1 {} {0.714398032182 0.276212795323 0.557861228471} H4 11 1
1 {} {0.125261914034 0.552393030451 0.750062945223} H5 12 1
1 {} {0.363708521452 0.568303490879 0.704556124294} H6 13 1
1 {} {0.544916984001 0.747065215353 0.576847781723} H7 14 1
1 {} {0.465997476785 0.647579586811 0.370936240368} H8 15 1
1 {} {0.698008129364 0.701725207943 0.39042682547} H10 16 1
8 {} {0.177686687767 0.610773534578 0.517091515499} O 17 1
1 {} {0.204163005255 0.587115960793 0.426846786194} 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