./iterations/neb0_image08_iter242.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 {} {0.472539340263 0.224556846543 0.493744984314} O1 1 1
14 {} {0.331503109547 0.218458240132 0.576808656258} Si1 2 1
14 {} {0.613998261401 0.296254753454 0.452269504704} Si2 3 1
8 {} {0.592381195966 0.455617482598 0.421055453923} O2 4 1
8 {} {0.313708028336 0.349925484286 0.67465574846} O3 5 1
14 {} {0.300282835868 0.513637086918 0.667297351723} Si3 6 1
14 {} {0.511211490241 0.595917645464 0.44709540845} Si4 7 1
1 {} {0.332283944531 0.0976939409742 0.662955466643} H1 8 1
1 {} {0.220156110709 0.213403157162 0.4780105182} H2 9 1
1 {} {0.663090437475 0.230578245618 0.328829081513} H3 10 1
1 {} {0.710484338561 0.281489136906 0.564421429459} H4 11 1
1 {} {0.157564878466 0.553126336206 0.65846575094} H5 12 1
1 {} {0.366576369274 0.568536878826 0.788386824104} H6 13 1
1 {} {0.310446606718 0.912561900636 0.475638877763} H7 14 1
1 {} {0.471871899408 0.652738351163 0.315793180186} H8 15 1
1 {} {0.598150923613 0.687076322579 0.526053627774} H10 16 1
8 {} {0.372457644656 0.571014468554 0.531071468438} O 17 1
1 {} {0.271378836212 0.849931598632 0.468504378234} 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