./iterations/neb0_image07_iter287.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 {} {0.481194391472 0.201584818701 0.503178389267} O1 1 1
14 {} {0.340536409301 0.210095187908 0.586322927988} Si1 2 1
14 {} {0.609888960784 0.293298418735 0.455504966079} Si2 3 1
8 {} {0.56588044007 0.44900051419 0.434573633194} O2 4 1
8 {} {0.319001722641 0.358994151318 0.652142208334} O3 5 1
14 {} {0.289002918595 0.519961661432 0.648592552325} Si3 6 1
14 {} {0.496628638813 0.596639565924 0.433268213917} Si4 7 1
1 {} {0.340454382403 0.113360408555 0.699141723661} H1 8 1
1 {} {0.232869717209 0.182173721044 0.488512743316} H2 9 1
1 {} {0.661391313285 0.245305435803 0.324578269551} H3 10 1
1 {} {0.712668348123 0.284401132848 0.562375628763} H4 11 1
1 {} {0.141926984168 0.540720410298 0.653166633423} H5 12 1
1 {} {0.355012555813 0.583292311827 0.765277333001} H6 13 1
1 {} {0.340924933685 0.906328290588 0.481901225079} H7 14 1
1 {} {0.471514412459 0.637771320906 0.293017941589} H8 15 1
1 {} {0.591879710491 0.690687981768 0.498983943694} H10 16 1
8 {} {0.352127196082 0.589334372256 0.512948189783} O 17 1
1 {} {0.307182712872 0.869568218802 0.537571188178} 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
0 0 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
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end