iterations/neb0_image06_iter121.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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	WyckoffPosition	int	-1
@end
@data
8 {} {0.470219623083 0.228043304903 0.489901063109} O1 1 1
14 {} {0.329769288181 0.224317445629 0.574690681211} Si1 2 1
14 {} {0.600251867418 0.319319790688 0.449069305455} Si2 3 1
8 {} {0.55852441813 0.471865251141 0.417702820731} O2 4 1
8 {} {0.322353294618 0.353937741812 0.675460524018} O3 5 1
14 {} {0.292970910454 0.515568478303 0.667871150571} Si3 6 1
14 {} {0.494657338276 0.620186187301 0.445223421788} Si4 7 1
1 {} {0.328960318344 0.100763161038 0.65728090372} H1 8 1
1 {} {0.213980426936 0.225969210681 0.480237972985} H2 9 1
1 {} {0.654296884895 0.263470338365 0.323591161738} H3 10 1
1 {} {0.69858697131 0.321807357526 0.560508930032} H4 11 1
1 {} {0.145724677374 0.537022937666 0.674668575547} H5 12 1
1 {} {0.3617459681 0.578182729735 0.784554442837} H6 13 1
1 {} {0.37958927912 0.801778281532 0.465260676819} H7 14 1
1 {} {0.487322210203 0.680501149413 0.307258821669} H8 15 1
1 {} {0.590993924717 0.69917813827 0.530770256901} H10 16 1
8 {} {0.351238389994 0.576361644857 0.525958033611} O 17 1
1 {} {0.328900301391 0.754244777872 0.501049245682} 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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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}}
	Key	int	0
@end
@data
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5 4 1 {0 0 0} 0
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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