iterations/neb0_image06_iter187.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@end
@data
8 {} {0.476076252645 0.224100878143 0.48643835447} O1 1 1
14 {} {0.331889282469 0.218971086458 0.565511913083} Si1 2 1
14 {} {0.607248519733 0.317079476772 0.455421923512} Si2 3 1
8 {} {0.57004569316 0.474965798791 0.456054409965} O2 4 1
8 {} {0.305582988295 0.353971048871 0.654873226259} O3 5 1
14 {} {0.286342429955 0.516957827597 0.656110330551} Si3 6 1
14 {} {0.484421314594 0.612594098677 0.445983479233} Si4 7 1
1 {} {0.33786859667 0.105877748683 0.661041526693} H1 8 1
1 {} {0.223662382044 0.204105634209 0.464319263197} H2 9 1
1 {} {0.659706899492 0.283664616285 0.320999805392} H3 10 1
1 {} {0.709199971109 0.294293750901 0.560359506771} H4 11 1
1 {} {0.145328495253 0.545902284177 0.693970747746} H5 12 1
1 {} {0.377301893498 0.58119030149 0.754976383243} H6 13 1
1 {} {0.391321516 0.814551367982 0.524160994519} H7 14 1
1 {} {0.469233858644 0.658392501129 0.305893154228} H8 15 1
1 {} {0.581366999085 0.705836508496 0.512576204709} H10 16 1
8 {} {0.329330429775 0.576651711106 0.507338940809} O 17 1
1 {} {0.324158413732 0.783411200723 0.505027904936} 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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7 1 0 0
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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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7 7 1 {0 0 0} 0
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