iterations/neb0_image07_iter79.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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@end
@data
8 {} {0.4702761213 0.22092681407 0.488056422434} O1 1 1
14 {} {0.331646199097 0.224024339975 0.576413887087} Si1 2 1
14 {} {0.599213293078 0.312819220542 0.444172733698} Si2 3 1
8 {} {0.552307678201 0.464029284729 0.403294690492} O2 4 1
8 {} {0.328565551069 0.353661291141 0.677796639558} O3 5 1
14 {} {0.299200399296 0.515885771423 0.678196443685} Si3 6 1
14 {} {0.503739974177 0.610831918983 0.454430592498} Si4 7 1
1 {} {0.326570014635 0.102030677779 0.659712423272} H1 8 1
1 {} {0.217307256668 0.232274569144 0.482072011603} H2 9 1
1 {} {0.661341979876 0.25636905728 0.321804936945} H3 10 1
1 {} {0.692584912818 0.323225724588 0.560056416953} H4 11 1
1 {} {0.152192427131 0.539978547508 0.669643950511} H5 12 1
1 {} {0.354987308272 0.56987758675 0.80575495907} H6 13 1
1 {} {0.351714756335 0.818058366803 0.423844832191} H7 14 1
1 {} {0.481658372586 0.683426909056 0.3273176535} H8 15 1
1 {} {0.604965979984 0.68116009438 0.537743054533} H10 16 1
8 {} {0.369356354713 0.587569200838 0.547931688906} O 17 1
1 {} {0.312457547081 0.776368588556 0.472814612042} 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
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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
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5 4 1 {0 0 0} 0
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7 7 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