./iterations/neb0_image07_iter258.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 {} {0.477181374252 0.216586594267 0.500471849811} O1 1 1
14 {} {0.3361470476 0.212114888189 0.584140425775} Si1 2 1
14 {} {0.614158966716 0.295051800224 0.454499391027} Si2 3 1
8 {} {0.586035533463 0.454233947178 0.42879893881} O2 4 1
8 {} {0.313292805288 0.352511468389 0.667514251403} O3 5 1
14 {} {0.291115193026 0.513547899909 0.647538221847} Si3 6 1
14 {} {0.496017113624 0.591605264076 0.431265460766} Si4 7 1
1 {} {0.342351098167 0.103228264706 0.684030861544} H1 8 1
1 {} {0.226465002837 0.192724900153 0.485459877738} H2 9 1
1 {} {0.6614334946 0.234452631828 0.327306359933} H3 10 1
1 {} {0.716431058767 0.283616819451 0.562184251897} H4 11 1
1 {} {0.145581719441 0.544175128652 0.646704228927} H5 12 1
1 {} {0.364398052278 0.581915832071 0.758121141964} H6 13 1
1 {} {0.338377393747 0.927438752876 0.500594657136} H7 14 1
1 {} {0.470575565723 0.63565464189 0.291819230908} H8 15 1
1 {} {0.569370718578 0.694422444382 0.509967206201} H10 16 1
8 {} {0.350235253599 0.561955936754 0.501734398574} O 17 1
1 {} {0.310918436091 0.877280615549 0.548906955498} 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
15 6 0 0
4 1 0 0
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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
0 0 1 {0 0 0} 0
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5 4 1 {0 0 0} 0
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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