iterations/neb0_image08_iter86.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@end
@data
8 {} {0.472071613163 0.218477836316 0.48928870806} O1 1 1
14 {} {0.333305366499 0.22121329334 0.578158231463} Si1 2 1
14 {} {0.602512484556 0.307425566207 0.444389015438} Si2 3 1
8 {} {0.558579379197 0.45958512367 0.400377373201} O2 4 1
8 {} {0.329464347221 0.352588349046 0.677762816112} O3 5 1
14 {} {0.298709823221 0.514743951161 0.675278655204} Si3 6 1
14 {} {0.504568817659 0.60506330348 0.453681095481} Si4 7 1
1 {} {0.329847800508 0.0996141466814 0.663640072063} H1 8 1
1 {} {0.217762304224 0.226324583982 0.483633369167} H2 9 1
1 {} {0.663445493392 0.24465203569 0.324498906973} H3 10 1
1 {} {0.696875556959 0.314321300233 0.559890123124} H4 11 1
1 {} {0.152241425605 0.537965469781 0.665380419757} H5 12 1
1 {} {0.3564134815 0.571321919255 0.799953964764} H6 13 1
1 {} {0.333144808356 0.84359218469 0.416612941755} H7 14 1
1 {} {0.472206464216 0.683966795725 0.332655247182} H8 15 1
1 {} {0.608327655815 0.670706976514 0.538407311927} H10 16 1
8 {} {0.36794382549 0.585093227457 0.543624369554} O 17 1
1 {} {0.312665478525 0.815861919112 0.483825337543} 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}}
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	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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2 0 0 0
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15 6 0 0
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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
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
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@end
@data
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8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end