iterations/neb0_image07_iter175.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	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.471367598623 0.240432387712 0.493647264494} O1 1 1
14 {} {0.332397999135 0.222354445237 0.579243444305} Si1 2 1
14 {} {0.61654014297 0.3040717043 0.451323233807} Si2 3 1
8 {} {0.59945177254 0.464215139125 0.418947884296} O2 4 1
8 {} {0.304215219476 0.347997575894 0.682462753771} O3 5 1
14 {} {0.290734418092 0.510289769721 0.655239357171} Si3 6 1
14 {} {0.495410930924 0.590932993408 0.437403971888} Si4 7 1
1 {} {0.344940136804 0.100218723398 0.662678162974} H1 8 1
1 {} {0.222051906113 0.213032522255 0.479048814197} H2 9 1
1 {} {0.664649480151 0.236583130225 0.32804908746} H3 10 1
1 {} {0.712732373944 0.282491866424 0.563545473651} H4 11 1
1 {} {0.147711861691 0.548778161731 0.65705188737} H5 12 1
1 {} {0.368758545419 0.584188896349 0.757256762782} H6 13 1
1 {} {0.347385705654 0.901808173466 0.496405074367} H7 14 1
1 {} {0.460248705767 0.647898628721 0.30472020263} H8 15 1
1 {} {0.561058032076 0.691351550944 0.526209113926} H10 16 1
8 {} {0.353244647047 0.543480104929 0.506628643142} O 17 1
1 {} {0.317186500282 0.842392039708 0.53119669336} 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
@end
@data
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2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
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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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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end