./iterations/neb0_image07_iter7.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470627983542 0.224183194628 0.488367739753} O1 1 1
14 {} {0.333140131506 0.224043624097 0.577824799434} Si1 2 1
14 {} {0.603659925111 0.30394390673 0.441892281046} Si2 3 1
8 {} {0.562828939357 0.456983068139 0.387368827878} O2 4 1
8 {} {0.329797195755 0.358103390295 0.672670317928} O3 5 1
14 {} {0.285058868181 0.517561254858 0.688456087384} Si3 6 1
14 {} {0.505580187167 0.604542428729 0.437206928845} Si4 7 1
1 {} {0.335660739969 0.111332244712 0.671788176077} H1 8 1
1 {} {0.216766676684 0.223150126633 0.486955054275} H2 9 1
1 {} {0.6635261763 0.232810215263 0.326756856051} H3 10 1
1 {} {0.698564460332 0.319023314212 0.555169775335} H4 11 1
1 {} {0.133909306361 0.518484785731 0.689074103162} H5 12 1
1 {} {0.344692560872 0.559995440681 0.819502056938} H6 13 1
1 {} {0.335880436271 0.831036314434 0.408396018482} H7 14 1
1 {} {0.525937900226 0.68721060318 0.298553244031} H8 15 1
1 {} {0.596482820957 0.674000787474 0.527892150876} H10 16 1
8 {} {0.348757169308 0.609610103514 0.554729651521} O 17 1
1 {} {0.319214664169 0.816503155591 0.498453935793} 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