./iterations/neb0_image05_iter263.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470112582349 0.262732236063 0.490058634143} O1 1 1
14 {} {0.324089857538 0.232631868303 0.558210944023} Si1 2 1
14 {} {0.610423777027 0.346190149157 0.472959651795} Si2 3 1
8 {} {0.594254185353 0.502968882278 0.521728425734} O2 4 1
8 {} {0.25517405148 0.366190116312 0.62165400436} O3 5 1
14 {} {0.234848075095 0.525714857998 0.656558212344} Si3 6 1
14 {} {0.577209366215 0.655567327482 0.45868464275} Si4 7 1
1 {} {0.341076143726 0.133794718638 0.668571266969} H1 8 1
1 {} {0.239492429071 0.180140680943 0.446959839076} H2 9 1
1 {} {0.647407410503 0.342874179376 0.329052293648} H3 10 1
1 {} {0.716044670449 0.284835851158 0.557998316422} H4 11 1
1 {} {0.135530775622 0.536778541711 0.764473306559} H5 12 1
1 {} {0.365291651105 0.584878294827 0.69985605734} H6 13 1
1 {} {0.526888497832 0.749976357048 0.562008392609} H7 14 1
1 {} {0.478153390113 0.651022011481 0.346444762548} H8 15 1
1 {} {0.70880368118 0.705728069942 0.408308359627} H10 16 1
8 {} {0.169042733929 0.601543706119 0.526082717587} O 17 1
1 {} {0.216242770679 0.6089502628 0.441448367509} 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