iterations/neb0_image07_iter273.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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	WyckoffPosition	int	-1
@end
@data
8 {} {0.480467576325 0.206963985658 0.503274945062} O1 1 1
14 {} {0.338806731265 0.210129033201 0.585860525737} Si1 2 1
14 {} {0.612384990369 0.293527692563 0.454984474548} Si2 3 1
8 {} {0.577837255807 0.450802074755 0.43122987942} O2 4 1
8 {} {0.313909208387 0.355385606201 0.661473550888} O3 5 1
14 {} {0.289576519354 0.51653159658 0.646760892602} Si3 6 1
14 {} {0.49680717129 0.593306660958 0.430612873682} Si4 7 1
1 {} {0.341914319127 0.108021997347 0.694424852601} H1 8 1
1 {} {0.230137785057 0.185441998745 0.486891167801} H2 9 1
1 {} {0.662243879833 0.238483389317 0.326479282582} H3 10 1
1 {} {0.714354982756 0.280769710879 0.561968127326} H4 11 1
1 {} {0.142881565433 0.541086902218 0.649188841436} H5 12 1
1 {} {0.360209976152 0.584790270416 0.759077206636} H6 13 1
1 {} {0.338203915445 0.922783779981 0.494028550428} H7 14 1
1 {} {0.471299419914 0.635826361092 0.290856505581} H8 15 1
1 {} {0.58074975111 0.693552610593 0.502109777736} H10 16 1
8 {} {0.350356071862 0.575978402685 0.504617717197} O 17 1
1 {} {0.307944658921 0.879135787586 0.547218516074} 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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14 6 0 0
16 5 0 2
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4 1 0 0
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end