iterations/neb0_image07_iter278.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 {} {0.481372858696 0.205182048107 0.502994818903} O1 1 1
14 {} {0.339218817562 0.210103947045 0.586612950379} Si1 2 1
14 {} {0.611813195603 0.292267424525 0.455336205637} Si2 3 1
8 {} {0.574031633879 0.450188686654 0.432028096489} O2 4 1
8 {} {0.315732185161 0.355534854327 0.658852435713} O3 5 1
14 {} {0.289613411619 0.517722920228 0.647003339482} Si3 6 1
14 {} {0.496614784289 0.594175033265 0.431792591007} Si4 7 1
1 {} {0.341111456828 0.109654416214 0.695810284121} H1 8 1
1 {} {0.231225262321 0.18443589999 0.487505680187} H2 9 1
1 {} {0.661778478854 0.241337541083 0.326002676349} H3 10 1
1 {} {0.713404653151 0.281838526186 0.562105426592} H4 11 1
1 {} {0.142803800122 0.541372817489 0.650000448409} H5 12 1
1 {} {0.358573460776 0.58438264292 0.760381773092} H6 13 1
1 {} {0.339167668488 0.918108653592 0.490795078316} H7 14 1
1 {} {0.470698356541 0.636571052961 0.291347626412} H8 15 1
1 {} {0.584952636603 0.692835472521 0.501320177408} H10 16 1
8 {} {0.35083968953 0.580370309898 0.507415316954} O 17 1
1 {} {0.307133420165 0.876435633436 0.54375276486} 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
0 0 1 {0 0 0} 0
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3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
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