./iterations/neb0_image08_iter261.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 {} {0.472508226465 0.22172003418 0.49365605708} O1 1 1
14 {} {0.331666206315 0.217397803425 0.577320204265} Si1 2 1
14 {} {0.61352123371 0.295277456529 0.452480499257} Si2 3 1
8 {} {0.589780010282 0.454952287029 0.423658647179} O2 4 1
8 {} {0.315078204968 0.351024217331 0.671925047807} O3 5 1
14 {} {0.299358167287 0.514457569335 0.665407735805} Si3 6 1
14 {} {0.509851265807 0.596596829678 0.446307235447} Si4 7 1
1 {} {0.333517776091 0.0988779054264 0.666778908349} H1 8 1
1 {} {0.220495740235 0.211275744177 0.478468299954} H2 9 1
1 {} {0.663376128704 0.231577304403 0.327700117535} H3 10 1
1 {} {0.710929462 0.281060544194 0.56468839859} H4 11 1
1 {} {0.155750841314 0.552203253117 0.658617943033} H5 12 1
1 {} {0.367053297956 0.570230430321 0.785805126676} H6 13 1
1 {} {0.313048791163 0.914131886573 0.475069816075} H7 14 1
1 {} {0.472885033705 0.652525142153 0.313730703202} H8 15 1
1 {} {0.597317655971 0.688009614934 0.52527216489} H10 16 1
8 {} {0.369389374222 0.571830230517 0.528022856836} O 17 1
1 {} {0.274558806838 0.849369627775 0.476147973365} 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
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	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
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11 5 0 0
7 1 0 0
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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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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
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end