iterations/neb0_image08_iter293.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.474082718724 0.212563186364 0.494115482121} O1 1 1
14 {} {0.334364168044 0.214169851772 0.579927032917} Si1 2 1
14 {} {0.61092042824 0.293379857087 0.453277152031} Si2 3 1
8 {} {0.580970012378 0.452782312677 0.430746406359} O2 4 1
8 {} {0.318709314816 0.354769954407 0.662920575832} O3 5 1
14 {} {0.296235549321 0.517203747214 0.657609878061} Si3 6 1
14 {} {0.504746562209 0.597235453325 0.442845036929} Si4 7 1
1 {} {0.336091303577 0.104424752861 0.679091797906} H1 8 1
1 {} {0.222773694748 0.200580773532 0.483366650239} H2 9 1
1 {} {0.66304444011 0.238038803221 0.325129995841} H3 10 1
1 {} {0.709667525777 0.279074783688 0.564078324642} H4 11 1
1 {} {0.150866639975 0.54765547497 0.659304188773} H5 12 1
1 {} {0.367315896818 0.577252033266 0.773871876407} H6 13 1
1 {} {0.318940525758 0.912577453975 0.469241664644} H7 14 1
1 {} {0.477689350154 0.649294796471 0.306252410648} H8 15 1
1 {} {0.591231430914 0.689157554352 0.522270982249} H10 16 1
8 {} {0.359347793466 0.579008411583 0.51857181052} O 17 1
1 {} {0.293088792593 0.853348602139 0.508436519288} 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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1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 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
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
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5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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