./iterations/neb0_image04_iter40.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.470191161531 0.230323032742 0.482781386998} O1 1 1
14 {} {0.333328691354 0.234591406878 0.570583849967} Si1 2 1
14 {} {0.589883161615 0.331414570967 0.437585691527} Si2 3 1
8 {} {0.524623670199 0.476909895568 0.399389628423} O2 4 1
8 {} {0.3335154928 0.373549486211 0.659053544558} O3 5 1
14 {} {0.279024217633 0.521622781162 0.697436538398} Si3 6 1
14 {} {0.52036399033 0.641885278816 0.40283719169} Si4 7 1
1 {} {0.33091687282 0.12005181147 0.663326080866} H1 8 1
1 {} {0.215087725423 0.233240126922 0.482042945759} H2 9 1
1 {} {0.656718999242 0.259208606408 0.328167179754} H3 10 1
1 {} {0.68743571354 0.337763400317 0.547773467836} H4 11 1
1 {} {0.12807750647 0.524620979805 0.704008847109} H5 12 1
1 {} {0.340438978455 0.563871173446 0.828588870359} H6 13 1
1 {} {0.393173743337 0.72685668277 0.403475540425} H7 14 1
1 {} {0.57072343234 0.687697218728 0.272224853241} H8 15 1
1 {} {0.589896046927 0.686815538299 0.527002455505} H10 16 1
8 {} {0.334128653102 0.615822487157 0.577603292367} O 17 1
1 {} {0.312558072345 0.706273486185 0.547176649114} 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