iterations/neb0_image06_iter105.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 {} {0.470134606867 0.224737754236 0.491650651706} O1 1 1
14 {} {0.330448926583 0.222628620195 0.577370283826} Si1 2 1
14 {} {0.597009614718 0.320659270848 0.447885061921} Si2 3 1
8 {} {0.552966899379 0.47275788854 0.409981544542} O2 4 1
8 {} {0.324145200696 0.352727809696 0.678205931006} O3 5 1
14 {} {0.294610973045 0.51447254054 0.673161600586} Si3 6 1
14 {} {0.495326853421 0.621311979883 0.445489166834} Si4 7 1
1 {} {0.327382414474 0.0985856355455 0.658950091733} H1 8 1
1 {} {0.214753009808 0.228927803354 0.484091984586} H2 9 1
1 {} {0.652973751765 0.266253589277 0.322318019494} H3 10 1
1 {} {0.694943871876 0.324278390219 0.560422041244} H4 11 1
1 {} {0.147710121563 0.539829646994 0.668474637379} H5 12 1
1 {} {0.358914607232 0.574869280469 0.793106546017} H6 13 1
1 {} {0.370747911128 0.800573977366 0.449934141956} H7 14 1
1 {} {0.4984081194 0.678970569393 0.3070899249} H8 15 1
1 {} {0.591831250619 0.697145424575 0.530803977584} H10 16 1
8 {} {0.358341560714 0.58192031604 0.53660087452} O 17 1
1 {} {0.329436404508 0.751867466897 0.495521526159} 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