./iterations/neb0_image01_iter180.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464692112997 0.254503934146 0.477115119096} O1 1 1
14 {} {0.327244901509 0.251301323374 0.566688085817} Si1 2 1
14 {} {0.59802517649 0.336073963984 0.426929783121} Si2 3 1
8 {} {0.556666683417 0.476744027231 0.352649212822} O2 4 1
8 {} {0.325361562201 0.376437672666 0.672255262711} O3 5 1
14 {} {0.255838013898 0.513413830695 0.733043247264} Si3 6 1
14 {} {0.537811226561 0.639875312411 0.362521368748} Si4 7 1
1 {} {0.326777352531 0.124207536976 0.644296026937} H1 8 1
1 {} {0.210246213377 0.259623998309 0.474209784332} H2 9 1
1 {} {0.666920850373 0.250300205083 0.327136555119} H3 10 1
1 {} {0.68417709257 0.367141456977 0.544793119934} H4 11 1
1 {} {0.1094680241 0.493963900839 0.751077451165} H5 12 1
1 {} {0.326744335734 0.540779716667 0.861151807692} H6 13 1
1 {} {0.400038186611 0.677047213064 0.318920760924} H7 14 1
1 {} {0.638870641219 0.707285228341 0.276296740225} H8 15 1
1 {} {0.557227338906 0.685353748065 0.504400927719} H10 16 1
8 {} {0.268071113475 0.640698248019 0.628560683564} O 17 1
1 {} {0.35590510248 0.677766527419 0.609011964241} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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