iterations/neb0_image02_iter187.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 {} {0.463567753354 0.254568304547 0.490905654761} O1 1 1
14 {} {0.328394673694 0.239663936828 0.582325782671} Si1 2 1
14 {} {0.585782390091 0.344849555919 0.429687217487} Si2 3 1
8 {} {0.52882512618 0.486736999709 0.369574363753} O2 4 1
8 {} {0.31851793551 0.36083494305 0.692641362824} O3 5 1
14 {} {0.250334016913 0.507121104573 0.726785008071} Si3 6 1
14 {} {0.552116557889 0.649680735362 0.361392220076} Si4 7 1
1 {} {0.338365888118 0.11099258947 0.656057570317} H1 8 1
1 {} {0.209245573726 0.241537589448 0.49259072057} H2 9 1
1 {} {0.64606703709 0.266558299521 0.318700592012} H3 10 1
1 {} {0.684139721286 0.373726824758 0.538287268537} H4 11 1
1 {} {0.103473881594 0.49107916789 0.742284308302} H5 12 1
1 {} {0.317321762863 0.556160918022 0.850464766667} H6 13 1
1 {} {0.425448294299 0.714520314414 0.318099634011} H7 14 1
1 {} {0.660786965367 0.681080446521 0.263982343908} H8 15 1
1 {} {0.590358614219 0.702214267052 0.496533457179} H10 16 1
8 {} {0.266974583018 0.614156366967 0.601976294662} O 17 1
1 {} {0.340365337888 0.67703556526 0.598769579319} 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