./iterations/neb0_image08_iter80.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471753143493 0.218234065256 0.489228679288} O1 1 1
14 {} {0.333784333184 0.221153420333 0.578111623566} Si1 2 1
14 {} {0.602352219942 0.307593193514 0.444065511209} Si2 3 1
8 {} {0.557246882698 0.459260674951 0.401070699191} O2 4 1
8 {} {0.329918989952 0.353399901959 0.6766012619} O3 5 1
14 {} {0.298807079468 0.514906360122 0.674806308426} Si3 6 1
14 {} {0.504262523521 0.605118803726 0.453748423975} Si4 7 1
1 {} {0.330145951627 0.100340256586 0.664114800288} H1 8 1
1 {} {0.218131114126 0.225916173463 0.484424346859} H2 9 1
1 {} {0.66334753611 0.244570155929 0.3243902347} H3 10 1
1 {} {0.696475286547 0.315024442796 0.559486745656} H4 11 1
1 {} {0.152098710747 0.537855681081 0.665202464072} H5 12 1
1 {} {0.35623732603 0.572058445664 0.799730959902} H6 13 1
1 {} {0.333054375447 0.841051036908 0.416518047398} H7 14 1
1 {} {0.472055730466 0.683877648365 0.332980244082} H8 15 1
1 {} {0.60769709903 0.670424607039 0.538980525935} H10 16 1
8 {} {0.367755779755 0.585386801324 0.54324489353} O 17 1
1 {} {0.314962041126 0.816346311262 0.484352198942} 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
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1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
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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
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5 15 6 {0 0 0} 0
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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