iterations/neb0_image07_iter183.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	{{}}
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@data
8 {} {0.47183899172 0.238958894512 0.49460659887} O1 1 1
14 {} {0.332522486155 0.22139507551 0.579342391502} Si1 2 1
14 {} {0.61591744417 0.303253097316 0.45115206111} Si2 3 1
8 {} {0.59889971517 0.464017894448 0.419690040577} O2 4 1
8 {} {0.30460760578 0.348206946153 0.681549940073} O3 5 1
14 {} {0.290965784673 0.510214524106 0.65469888447} Si3 6 1
14 {} {0.496136890592 0.590754155596 0.436984981295} Si4 7 1
1 {} {0.345257917107 0.100077386286 0.663250937232} H1 8 1
1 {} {0.221808295022 0.212335088033 0.479974345605} H2 9 1
1 {} {0.664179805925 0.236088990187 0.327677679406} H3 10 1
1 {} {0.712340941335 0.28443990647 0.562863903502} H4 11 1
1 {} {0.147702515897 0.549028054236 0.655904750408} H5 12 1
1 {} {0.368665251491 0.583547549415 0.758265681587} H6 13 1
1 {} {0.346450639719 0.904045995978 0.497164037132} H7 14 1
1 {} {0.462748645315 0.645411907668 0.303460198681} H8 15 1
1 {} {0.559700800431 0.691512811509 0.525778602643} H10 16 1
8 {} {0.353297489637 0.543991602094 0.505769071881} O 17 1
1 {} {0.317044748041 0.845237936077 0.532923716106} H14 18 1
@end
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	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
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@data
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14 6 0 0
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10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
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	CellOffset2	int	{{0 0 0}}
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@data
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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
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end