iterations/neb0_image09_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_image09

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@data
8 {} {0.471707850224 0.212603028054 0.49442992793} O1 1 1
14 {} {0.33606947969 0.216304981512 0.586380911075} Si1 2 1
14 {} {0.602700070341 0.298799284898 0.444974398587} Si2 3 1
8 {} {0.559276413091 0.451032867866 0.402010026748} O2 4 1
8 {} {0.329528907305 0.355594546654 0.674357079448} O3 5 1
14 {} {0.296262447296 0.515965378236 0.669119472675} Si3 6 1
14 {} {0.507173025817 0.599290561924 0.450633863193} Si4 7 1
1 {} {0.341385982943 0.10408993737 0.682745393782} H1 8 1
1 {} {0.217887212571 0.208565577565 0.496395623401} H2 9 1
1 {} {0.658398208725 0.230798525528 0.325710839433} H3 10 1
1 {} {0.702490075362 0.30814739379 0.555100551362} H4 11 1
1 {} {0.149438695723 0.537364532976 0.657992070243} H5 12 1
1 {} {0.348940154856 0.575856401273 0.794812043583} H6 13 1
1 {} {0.323360240341 0.878205079211 0.413219699184} H7 14 1
1 {} {0.480043950358 0.675799129973 0.327028616017} H8 15 1
1 {} {0.610451571162 0.665153568828 0.536601982928} H10 16 1
8 {} {0.367571757453 0.585813988185 0.537917608613} O 17 1
1 {} {0.307400119237 0.853133159894 0.481627889728} 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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@data
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11 5 0 0
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
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	CellOffset2	int	{{0 0 0}}
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@end
@data
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9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
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12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end