iterations/neb0_image06_iter251.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 {} {0.473710523005 0.237176233354 0.493114336364} O1 1 1
14 {} {0.326947539016 0.21763316398 0.563495380019} Si1 2 1
14 {} {0.606815840008 0.328783784951 0.465379031975} Si2 3 1
8 {} {0.578668329728 0.486390672475 0.498090130152} O2 4 1
8 {} {0.280867461858 0.352669554509 0.643963818331} O3 5 1
14 {} {0.282369317589 0.516747782823 0.652031858067} Si3 6 1
14 {} {0.490221355069 0.615893995337 0.450774562426} Si4 7 1
1 {} {0.337149358453 0.109925477906 0.665165826267} H1 8 1
1 {} {0.228455532546 0.184269696018 0.456601924341} H2 9 1
1 {} {0.647015891602 0.317925858461 0.321381750233} H3 10 1
1 {} {0.714698194416 0.283311485667 0.557067786217} H4 11 1
1 {} {0.147006783795 0.549194359514 0.703959360451} H5 12 1
1 {} {0.383213267687 0.572210120821 0.742968166016} H6 13 1
1 {} {0.389515650363 0.805431244121 0.520814862314} H7 14 1
1 {} {0.474815426677 0.631833521647 0.304648289438} H8 15 1
1 {} {0.594403888947 0.719490005424 0.488474348599} H10 16 1
8 {} {0.328668848047 0.577505517662 0.504969452121} O 17 1
1 {} {0.32554278148 0.766125537611 0.498157340252} 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