iterations/neb0_image06_iter96.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470879088498 0.22343736128 0.490721842005} O1 1 1
14 {} {0.330426145085 0.223005227678 0.578262678683} Si1 2 1
14 {} {0.595323523869 0.320934300668 0.445918750514} Si2 3 1
8 {} {0.548952233216 0.472023648916 0.407994395179} O2 4 1
8 {} {0.325237371851 0.352843694299 0.679475299781} O3 5 1
14 {} {0.294376911668 0.514853696802 0.676765404142} Si3 6 1
14 {} {0.496551596317 0.621842051098 0.446770096972} Si4 7 1
1 {} {0.327154498435 0.0994244027726 0.66139044372} H1 8 1
1 {} {0.214731180831 0.230277043768 0.484082479356} H2 9 1
1 {} {0.653808457742 0.26784025902 0.320697524149} H3 10 1
1 {} {0.691955916166 0.327192096353 0.559432785998} H4 11 1
1 {} {0.147593248364 0.540304453486 0.669393976607} H5 12 1
1 {} {0.355890029659 0.57243268214 0.799371928596} H6 13 1
1 {} {0.367119881308 0.79701154955 0.439408772825} H7 14 1
1 {} {0.503976336301 0.678569591857 0.306321784162} H8 15 1
1 {} {0.594568661491 0.695349464284 0.531687550343} H10 16 1
8 {} {0.36171050686 0.583721472674 0.542642401407} O 17 1
1 {} {0.329830510379 0.751454976023 0.490719887433} 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