iterations/neb0_image09_iter119.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471819231601 0.21471226747 0.493978596554} O1 1 1
14 {} {0.335172585072 0.216207455022 0.585124049522} Si1 2 1
14 {} {0.603685876701 0.299310800493 0.44453744407} Si2 3 1
8 {} {0.561949000578 0.452066790227 0.400825203815} O2 4 1
8 {} {0.326797989377 0.353068634971 0.676501393353} O3 5 1
14 {} {0.297207197865 0.51466546256 0.67079329625} Si3 6 1
14 {} {0.507969579877 0.598810219143 0.451433396496} Si4 7 1
1 {} {0.338715506977 0.100683670055 0.678329593771} H1 8 1
1 {} {0.21783392859 0.21072378223 0.493552020062} H2 9 1
1 {} {0.658864304871 0.23106697265 0.324897489699} H3 10 1
1 {} {0.702378842593 0.307419204177 0.556066735474} H4 11 1
1 {} {0.151193536763 0.53846748619 0.657295847477} H5 12 1
1 {} {0.351528524943 0.574187952815 0.795729857011} H6 13 1
1 {} {0.322534400695 0.883864998892 0.415954232246} H7 14 1
1 {} {0.476227952498 0.677658060266 0.329918843227} H8 15 1
1 {} {0.612257580863 0.664770140409 0.535475808225} H10 16 1
8 {} {0.370591804973 0.582136976554 0.539833216994} O 17 1
1 {} {0.303358305232 0.852697112714 0.480810935126} 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 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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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8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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