iterations/neb0_image07_iter277.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 {} {0.481666533874 0.204451000232 0.502914083754} O1 1 1
14 {} {0.339302766099 0.209929261879 0.586490061004} Si1 2 1
14 {} {0.611621600243 0.292127376005 0.455230661424} Si2 3 1
8 {} {0.573567671516 0.450221442702 0.432219151201} O2 4 1
8 {} {0.316024593065 0.355942198161 0.658230534235} O3 5 1
14 {} {0.289574803809 0.517977319536 0.647070166612} Si3 6 1
14 {} {0.496589008112 0.594404570619 0.431875027262} Si4 7 1
1 {} {0.340989279501 0.109896683554 0.69625036227} H1 8 1
1 {} {0.231276528727 0.184178307328 0.487554165707} H2 9 1
1 {} {0.661874367 0.241197880551 0.326034452727} H3 10 1
1 {} {0.713192459577 0.282139801615 0.561946184307} H4 11 1
1 {} {0.142623510589 0.541019833399 0.650135650733} H5 12 1
1 {} {0.358528346396 0.584800897402 0.760574164137} H6 13 1
1 {} {0.33888399745 0.917262861402 0.489969721298} H7 14 1
1 {} {0.470503285188 0.636896581117 0.291697287805} H8 15 1
1 {} {0.58553570565 0.692714263642 0.501140551352} H10 16 1
8 {} {0.350633416921 0.58125728121 0.507856307503} O 17 1
1 {} {0.307697895098 0.876100321254 0.543869157018} 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
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@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}}
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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