iterations/neb0_image07_iter245.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 {} {0.476190319708 0.221875905326 0.499236203208} O1 1 1
14 {} {0.335891557636 0.213613208055 0.583792443648} Si1 2 1
14 {} {0.615271404828 0.296292052577 0.454676673224} Si2 3 1
8 {} {0.590673567178 0.456133058619 0.42797405099} O2 4 1
8 {} {0.312207774074 0.350863253199 0.67070088509} O3 5 1
14 {} {0.291245751108 0.512078802865 0.646886060116} Si3 6 1
14 {} {0.497279255341 0.590352130999 0.430814479901} Si4 7 1
1 {} {0.342193454215 0.101119698678 0.679639087042} H1 8 1
1 {} {0.224763402197 0.195389868096 0.486129215323} H2 9 1
1 {} {0.659667378897 0.232810059557 0.328344003838} H3 10 1
1 {} {0.717366189806 0.284386541071 0.562130090136} H4 11 1
1 {} {0.147055698758 0.546465925858 0.646515272476} H5 12 1
1 {} {0.364952189472 0.579571999901 0.757033737898} H6 13 1
1 {} {0.339206895063 0.92851031654 0.503361326496} H7 14 1
1 {} {0.470695283822 0.634957625088 0.291867018886} H8 15 1
1 {} {0.564243919447 0.695053977214 0.512744103054} H10 16 1
8 {} {0.350464961051 0.556925337863 0.500634417404} O 17 1
1 {} {0.310716850112 0.876118065967 0.548578663662} 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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	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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7 1 0 0
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10 2 0 0
9 2 0 0
@end
@Columns Bond
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	Atom2	reference	Atom
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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
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	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