./iterations/neb0_image02_iter232.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 {} {0.459137595199 0.262234053466 0.491033954479} O1 1 1
14 {} {0.326670747795 0.238959842788 0.585494656877} Si1 2 1
14 {} {0.58318514633 0.348523730669 0.42844868536} Si2 3 1
8 {} {0.529645714733 0.491384217495 0.366740682847} O2 4 1
8 {} {0.313103649123 0.356463085453 0.700330938982} O3 5 1
14 {} {0.24528194122 0.503690269062 0.730567920742} Si3 6 1
14 {} {0.560209801723 0.653136961765 0.357226909122} Si4 7 1
1 {} {0.343765288216 0.108759075532 0.656070838377} H1 8 1
1 {} {0.206817611346 0.240209643402 0.49673085196} H2 9 1
1 {} {0.642224833518 0.268444924111 0.317730551097} H3 10 1
1 {} {0.683353277766 0.377957788267 0.53557989808} H4 11 1
1 {} {0.0983666484858 0.487831497622 0.746457659548} H5 12 1
1 {} {0.311950590159 0.554414687303 0.854125629892} H6 13 1
1 {} {0.435520549313 0.719997914643 0.311410957911} H7 14 1
1 {} {0.671581242503 0.680533263438 0.262171233363} H8 15 1
1 {} {0.597342959812 0.706818498207 0.491750229318} H10 16 1
8 {} {0.261291723727 0.608579999965 0.604127633665} O 17 1
1 {} {0.340636922914 0.66457862012 0.595058760554} 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