./iterations/neb0_image08_iter191.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471189524267 0.227752191541 0.4932143836} O1 1 1
14 {} {0.329977614074 0.220188253473 0.576502823638} Si1 2 1
14 {} {0.612185360962 0.299042758108 0.449982379453} Si2 3 1
8 {} {0.589663413146 0.457635024865 0.413454772739} O2 4 1
8 {} {0.313548618411 0.348150552044 0.678802585831} O3 5 1
14 {} {0.300570973666 0.512341392526 0.671487166915} Si3 6 1
14 {} {0.512668156629 0.597540926659 0.449862706007} Si4 7 1
1 {} {0.331209764171 0.0972564951861 0.659741486392} H1 8 1
1 {} {0.218382967233 0.221061636816 0.477981293081} H2 9 1
1 {} {0.663626657887 0.231294977295 0.328434857742} H3 10 1
1 {} {0.708120393421 0.290411180847 0.563440603601} H4 11 1
1 {} {0.156974565761 0.550220996026 0.662021087158} H5 12 1
1 {} {0.363473534846 0.567985202567 0.794273232124} H6 13 1
1 {} {0.314200657733 0.899054386968 0.469787572962} H7 14 1
1 {} {0.47122645613 0.660745598877 0.322086580408} H8 15 1
1 {} {0.604358369312 0.684992373256 0.527729677225} H10 16 1
8 {} {0.377062980288 0.568022268618 0.538072966449} O 17 1
1 {} {0.271646252273 0.838821650459 0.454181606326} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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