iterations/neb0_image07_iter286.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
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@end
@data
8 {} {0.481279801649 0.202370890923 0.502937616828} O1 1 1
14 {} {0.340328498371 0.210109635858 0.586424489126} Si1 2 1
14 {} {0.610426233779 0.292771439026 0.455400746474} Si2 3 1
8 {} {0.568026085284 0.449335616627 0.434169254804} O2 4 1
8 {} {0.318375796403 0.358287076901 0.653163463054} O3 5 1
14 {} {0.288931277796 0.519694255361 0.648120323521} Si3 6 1
14 {} {0.496326935103 0.59624345333 0.433021310792} Si4 7 1
1 {} {0.340668637551 0.112735932809 0.698316014507} H1 8 1
1 {} {0.232591794826 0.182586096544 0.488311910439} H2 9 1
1 {} {0.661555487483 0.244072691295 0.324960297131} H3 10 1
1 {} {0.712902029081 0.283848267101 0.562292125742} H4 11 1
1 {} {0.142102189976 0.540782318867 0.652648359877} H5 12 1
1 {} {0.355818672377 0.583845119506 0.763670747758} H6 13 1
1 {} {0.340405434595 0.908935155505 0.483810240547} H7 14 1
1 {} {0.470936600591 0.637443631417 0.29267802237} H8 15 1
1 {} {0.590133684427 0.691055856431 0.499569351935} H10 16 1
8 {} {0.351512976949 0.587278418222 0.511837204434} O 17 1
1 {} {0.307763616331 0.871122057102 0.539726228291} 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
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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}}
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@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