iterations/neb0_image08_iter72.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471853968097 0.217772870926 0.488757148177} O1 1 1
14 {} {0.334080867707 0.221119924334 0.578121151461} Si1 2 1
14 {} {0.601973667108 0.306819457142 0.443962893348} Si2 3 1
8 {} {0.556534886459 0.458771765243 0.401639305921} O2 4 1
8 {} {0.330642072081 0.353926822807 0.674867372228} O3 5 1
14 {} {0.298362977734 0.515377788744 0.674794829785} Si3 6 1
14 {} {0.503603185214 0.604701300408 0.45398947041} Si4 7 1
1 {} {0.330809138741 0.101478402126 0.665232509079} H1 8 1
1 {} {0.218278794281 0.225233262574 0.485546391739} H2 9 1
1 {} {0.66299705665 0.244101940862 0.324382317116} H3 10 1
1 {} {0.69620993094 0.316384091171 0.558637970587} H4 11 1
1 {} {0.151740343125 0.537707653833 0.665025906273} H5 12 1
1 {} {0.355861262265 0.573042647298 0.799401528009} H6 13 1
1 {} {0.3331696755 0.838705238742 0.415550060094} H7 14 1
1 {} {0.472998507953 0.683943329992 0.33236914217} H8 15 1
1 {} {0.606741129106 0.67025850251 0.539340680681} H10 16 1
8 {} {0.367067572622 0.586156024871 0.543549772599} O 17 1
1 {} {0.317161087105 0.817016952551 0.485889533076} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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