iterations/neb0_image07_iter25.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470054595328 0.224129294268 0.4841875043} O1 1 1
14 {} {0.332619017566 0.229125844154 0.575657868773} Si1 2 1
14 {} {0.600139794016 0.313843455572 0.439648442137} Si2 3 1
8 {} {0.549290034617 0.465267249519 0.395943976598} O2 4 1
8 {} {0.331345011627 0.3620103344 0.670190226047} O3 5 1
14 {} {0.2925496123 0.521297631354 0.680204935289} Si3 6 1
14 {} {0.499643450449 0.612024157465 0.445722914693} Si4 7 1
1 {} {0.331971050285 0.109307219702 0.665035690024} H1 8 1
1 {} {0.21560234401 0.229884898174 0.481553045604} H2 9 1
1 {} {0.66558630173 0.23805864357 0.326939684517} H3 10 1
1 {} {0.696136319993 0.325044820544 0.554889811633} H4 11 1
1 {} {0.142392820376 0.521482567836 0.693985030085} H5 12 1
1 {} {0.341904758151 0.559382435983 0.815334790438} H6 13 1
1 {} {0.340111057318 0.811123283572 0.41317606166} H7 14 1
1 {} {0.513411668155 0.680442537466 0.312759912423} H8 15 1
1 {} {0.595462699712 0.677222958949 0.533900654548} H10 16 1
8 {} {0.364265109401 0.596231972222 0.546961030635} O 17 1
1 {} {0.327600505733 0.796638658605 0.494966420497} 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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14 6 0 0
16 5 0 2
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4 1 0 0
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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
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5 4 1 {0 0 0} 0
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7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end