./iterations/neb0_image02_iter104.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.4676019122 0.238094610963 0.479084424608} O1 1 1
14 {} {0.329302993796 0.242618568807 0.56750825639} Si1 2 1
14 {} {0.59351334394 0.332603922597 0.432184381057} Si2 3 1
8 {} {0.539808519802 0.476120600969 0.374249077407} O2 4 1
8 {} {0.330582511208 0.37396470349 0.666381472817} O3 5 1
14 {} {0.264003228621 0.516125745403 0.715833932898} Si3 6 1
14 {} {0.532494229828 0.640675774844 0.376855665058} Si4 7 1
1 {} {0.325715401566 0.120201282622 0.651578213419} H1 8 1
1 {} {0.213421544832 0.248239446439 0.47426309385} H2 9 1
1 {} {0.66298184624 0.261115616678 0.322101194782} H3 10 1
1 {} {0.684278897451 0.35569886699 0.548578426508} H4 11 1
1 {} {0.118145140812 0.49598701763 0.737727751518} H5 12 1
1 {} {0.336620143179 0.558440607539 0.838962897034} H6 13 1
1 {} {0.393409807854 0.686446702321 0.35237328978} H7 14 1
1 {} {0.621983270029 0.695491221286 0.270798884355} H8 15 1
1 {} {0.578514103081 0.691647347093 0.510119598473} H10 16 1
8 {} {0.278032866005 0.633200836433 0.599550061248} O 17 1
1 {} {0.339676348595 0.705845115018 0.612907388081} 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