iterations/neb0_image04_iter42.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@end
@data
8 {} {0.469946299394 0.230015439184 0.48267005954} O1 1 1
14 {} {0.33322873058 0.234677749538 0.570628928166} Si1 2 1
14 {} {0.589785290863 0.33151959092 0.437695573853} Si2 3 1
8 {} {0.524137164108 0.476493592257 0.399546376217} O2 4 1
8 {} {0.333354249168 0.373401785724 0.659641417791} O3 5 1
14 {} {0.278834357119 0.521259778226 0.697704035405} Si3 6 1
14 {} {0.520806443661 0.642103224263 0.403019846038} Si4 7 1
1 {} {0.331006616019 0.120028944967 0.663551802327} H1 8 1
1 {} {0.214810398732 0.233183262898 0.481884659235} H2 9 1
1 {} {0.656304012033 0.260350676647 0.327613188498} H3 10 1
1 {} {0.687299864838 0.338607740632 0.547860745822} H4 11 1
1 {} {0.128058505198 0.524979700551 0.703872800762} H5 12 1
1 {} {0.340355993947 0.564028948181 0.828559305707} H6 13 1
1 {} {0.39345702218 0.72637205595 0.403183177412} H7 14 1
1 {} {0.571264951659 0.687489177138 0.272330560179} H8 15 1
1 {} {0.590719705572 0.687406923249 0.526805383902} H10 16 1
8 {} {0.334404755315 0.615549800689 0.577472792795} O 17 1
1 {} {0.312311769036 0.705049574727 0.547017360017} 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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14 6 0 0
16 5 0 2
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7 1 0 0
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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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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