iterations/neb0_image01_iter17.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 {} {0.467717421794 0.242867157872 0.471529834821} O1 1 1
14 {} {0.327791252799 0.250463216207 0.557231754201} Si1 2 1
14 {} {0.601579102063 0.330902501369 0.431165521966} Si2 3 1
8 {} {0.55819821755 0.475329801442 0.366507581427} O2 4 1
8 {} {0.332282378508 0.378369687126 0.658404604682} O3 5 1
14 {} {0.267098700886 0.513798503899 0.727368724199} Si3 6 1
14 {} {0.527559554723 0.638177873485 0.371492811633} Si4 7 1
1 {} {0.317011757259 0.125824827779 0.638595005984} H1 8 1
1 {} {0.213606807197 0.263379067909 0.46162978133} H2 9 1
1 {} {0.674823923282 0.249113148426 0.329913799305} H3 10 1
1 {} {0.685060754462 0.349972895756 0.554259079966} H4 11 1
1 {} {0.121865018613 0.489114395168 0.747087341869} H5 12 1
1 {} {0.341889592612 0.532371369123 0.855765218916} H6 13 1
1 {} {0.387666131214 0.682640067211 0.338098757791} H7 14 1
1 {} {0.613267666329 0.704441723249 0.271193506558} H8 15 1
1 {} {0.559320345576 0.68874755289 0.508121322488} H10 16 1
8 {} {0.271420196375 0.645456817255 0.626996909267} O 17 1
1 {} {0.341927313611 0.71154734498 0.61569643415} 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