./iterations/neb0_image07_iter185.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 {} {0.472109575907 0.238399262399 0.494720343137} O1 1 1
14 {} {0.332592079113 0.221067576496 0.579297884084} Si1 2 1
14 {} {0.615534744275 0.303156945643 0.45105481067} Si2 3 1
8 {} {0.598709044783 0.463605724399 0.419991460335} O2 4 1
8 {} {0.304916739372 0.348109444246 0.680933926522} O3 5 1
14 {} {0.291105101172 0.510407035229 0.654266375206} Si3 6 1
14 {} {0.495913109829 0.590947965712 0.436884717837} Si4 7 1
1 {} {0.345314056693 0.100091041112 0.663552608563} H1 8 1
1 {} {0.221814031277 0.212114847004 0.48034127797} H2 9 1
1 {} {0.664013552026 0.235872149264 0.327598842377} H3 10 1
1 {} {0.712312694843 0.285227271594 0.562635261472} H4 11 1
1 {} {0.147548783464 0.549024392683 0.655715570026} H5 12 1
1 {} {0.368539916454 0.583227042663 0.75874121083} H6 13 1
1 {} {0.346092616895 0.904896251989 0.49721905833} H7 14 1
1 {} {0.463890006768 0.644422207956 0.302742219667} H8 15 1
1 {} {0.559224067211 0.691564357325 0.525701883678} H10 16 1
8 {} {0.353262279186 0.544110713884 0.505583224102} O 17 1
1 {} {0.317193566668 0.846273586757 0.534077145549} 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