./iterations/neb0_image01_iter170.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 {} {0.464864692177 0.253517913647 0.4767952231} O1 1 1
14 {} {0.327402381895 0.251254784913 0.566184422173} Si1 2 1
14 {} {0.597965855186 0.335785302913 0.427182475692} Si2 3 1
8 {} {0.556518761652 0.476488899365 0.353535603166} O2 4 1
8 {} {0.325250658347 0.376985922495 0.670918376232} O3 5 1
14 {} {0.256512949779 0.513772699168 0.732459905051} Si3 6 1
14 {} {0.537346670521 0.639677969417 0.363175650465} Si4 7 1
1 {} {0.326073508263 0.124538493126 0.644114831091} H1 8 1
1 {} {0.210755245712 0.259735870275 0.473724523054} H2 9 1
1 {} {0.667157300896 0.251040903118 0.327142301551} H3 10 1
1 {} {0.684159413572 0.366547332271 0.544886255965} H4 11 1
1 {} {0.110714539696 0.49362917966 0.750713204858} H5 12 1
1 {} {0.327614471523 0.540638543627 0.860429743436} H6 13 1
1 {} {0.399328705661 0.675933971433 0.321339955377} H7 14 1
1 {} {0.637643473669 0.707235980405 0.276060329647} H8 15 1
1 {} {0.557992186844 0.685776898355 0.504671548057} H10 16 1
8 {} {0.267414567926 0.641758143127 0.628627241939} O 17 1
1 {} {0.355370571449 0.678199050973 0.609096322199} 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