./iterations/neb0_image06_iter178.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 {} {0.475836794037 0.223855023675 0.486243354555} O1 1 1
14 {} {0.33217858392 0.220539027256 0.565805170581} Si1 2 1
14 {} {0.608233357595 0.316529395867 0.453690424274} Si2 3 1
8 {} {0.569633508146 0.474139017646 0.451659793457} O2 4 1
8 {} {0.304964227861 0.354579853354 0.657371159629} O3 5 1
14 {} {0.285758302551 0.517677179534 0.657106664801} Si3 6 1
14 {} {0.48397284885 0.612529604848 0.445904988773} Si4 7 1
1 {} {0.338642189049 0.106577463938 0.660838070499} H1 8 1
1 {} {0.223814716988 0.204603492216 0.463479680788} H2 9 1
1 {} {0.661621832645 0.283329056844 0.32017594766} H3 10 1
1 {} {0.708152083467 0.294094179081 0.560569374256} H4 11 1
1 {} {0.144170438369 0.544544354314 0.696160938872} H5 12 1
1 {} {0.376012510967 0.582365694248 0.756071680498} H6 13 1
1 {} {0.39208400574 0.81664808565 0.521231333593} H7 14 1
1 {} {0.47016598846 0.656893399188 0.304829110968} H8 15 1
1 {} {0.5801728993 0.704076994877 0.515540405647} H10 16 1
8 {} {0.328997521136 0.576449675484 0.507964068948} O 17 1
1 {} {0.325674122996 0.78308632895 0.506415893095} 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