iterations/neb0_image08_iter244.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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@end
@data
8 {} {0.472578529902 0.224265263389 0.493681188248} O1 1 1
14 {} {0.331631074677 0.218544477169 0.576921811207} Si1 2 1
14 {} {0.613840312333 0.296334609311 0.452245479807} Si2 3 1
8 {} {0.591510332467 0.455560741227 0.421341796338} O2 4 1
8 {} {0.314051122402 0.350097426576 0.674318449538} O3 5 1
14 {} {0.300291995887 0.513713805115 0.667016366959} Si3 6 1
14 {} {0.511135070316 0.596054785732 0.446829436075} Si4 7 1
1 {} {0.332373882309 0.0980187136026 0.663300423107} H1 8 1
1 {} {0.220190886707 0.213125604039 0.478257058175} H2 9 1
1 {} {0.66299842744 0.230614047938 0.32889691809} H3 10 1
1 {} {0.710396043084 0.281767510597 0.564222105942} H4 11 1
1 {} {0.157477393272 0.552722269515 0.658714427912} H5 12 1
1 {} {0.366246045584 0.568462701876 0.788275762134} H6 13 1
1 {} {0.311009146527 0.912238300275 0.474580500082} H7 14 1
1 {} {0.472405630783 0.652902282145 0.315814171126} H8 15 1
1 {} {0.597928380493 0.686968662214 0.52589916814} H10 16 1
8 {} {0.372077817875 0.571420114792 0.530818594837} O 17 1
1 {} {0.271944155994 0.849706565489 0.469924058251} 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
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	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
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3 14 6 {0 0 0} 0
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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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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end