iterations/neb0_image06_iter192.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 {} {0.474867991719 0.224754865796 0.486507270352} O1 1 1
14 {} {0.3318881557 0.217282918065 0.565527867076} Si1 2 1
14 {} {0.6074914962 0.317170837136 0.456419260983} Si2 3 1
8 {} {0.570117155191 0.475158368894 0.460055056047} O2 4 1
8 {} {0.3051778697 0.353921535078 0.653437152004} O3 5 1
14 {} {0.286553557626 0.516795349012 0.654972528855} Si3 6 1
14 {} {0.484749241532 0.613183177664 0.446798112925} Si4 7 1
1 {} {0.336878227052 0.104863812557 0.6615203281} H1 8 1
1 {} {0.223929692854 0.203305710087 0.464699657557} H2 9 1
1 {} {0.65791819168 0.285205291587 0.320441975894} H3 10 1
1 {} {0.710877216142 0.294470593013 0.561567365912} H4 11 1
1 {} {0.145475270751 0.546539042335 0.693227301418} H5 12 1
1 {} {0.378535781655 0.579737240003 0.75341367796} H6 13 1
1 {} {0.390269408298 0.812721181262 0.526115740295} H7 14 1
1 {} {0.469177753951 0.658876578715 0.305720306615} H8 15 1
1 {} {0.582680441882 0.707820525519 0.509670708928} H10 16 1
8 {} {0.330455619048 0.577439313689 0.506897570435} O 17 1
1 {} {0.323042866411 0.783271518969 0.504066191961} 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