iterations/neb0_image03_iter35.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.469445414452 0.233428542355 0.480037245371} O1 1 1
14 {} {0.332033410525 0.240796995685 0.568103030033} Si1 2 1
14 {} {0.592852753264 0.331040935568 0.434479650255} Si2 3 1
8 {} {0.532463352912 0.475658902195 0.386260053533} O2 4 1
8 {} {0.333205258054 0.375557565226 0.658502732533} O3 5 1
14 {} {0.274583599067 0.52120283076 0.706299620509} Si3 6 1
14 {} {0.526360257525 0.641643917336 0.388818430233} Si4 7 1
1 {} {0.327205221015 0.120901450176 0.655830304583} H1 8 1
1 {} {0.215381408813 0.241129131375 0.476598619191} H2 9 1
1 {} {0.662320859877 0.255137298234 0.328567107939} H3 10 1
1 {} {0.686462675969 0.341002982063 0.54837524389} H4 11 1
1 {} {0.126656422463 0.512564251944 0.719188283441} H5 12 1
1 {} {0.340386539036 0.555877855801 0.83571459222} H6 13 1
1 {} {0.389313880431 0.699782539344 0.379951547889} H7 14 1
1 {} {0.595091329658 0.696031944015 0.267658323082} H8 15 1
1 {} {0.57840541432 0.68521348395 0.522372984542} H10 16 1
8 {} {0.312661962138 0.624495926845 0.584486550616} O 17 1
1 {} {0.315256362075 0.721051415348 0.589813665856} 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