./iterations/neb0_image07_iter283.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 {} {0.481237333035 0.203652363402 0.502734090671} O1 1 1
14 {} {0.339705145139 0.21009196407 0.586469713145} Si1 2 1
14 {} {0.610912483477 0.292474593555 0.455301090496} Si2 3 1
8 {} {0.571213121918 0.449726804675 0.433560339484} O2 4 1
8 {} {0.317093126158 0.357281487633 0.654842610079} O3 5 1
14 {} {0.288900151086 0.518977647304 0.647545570211} Si3 6 1
14 {} {0.496154276765 0.595581047106 0.432775444292} Si4 7 1
1 {} {0.341427453145 0.111946095022 0.696996663303} H1 8 1
1 {} {0.231931439966 0.183258477511 0.488169964519} H2 9 1
1 {} {0.661550559344 0.242374857835 0.325181688197} H3 10 1
1 {} {0.713606304025 0.283499319854 0.562303319615} H4 11 1
1 {} {0.142343783738 0.541317167889 0.651865871959} H5 12 1
1 {} {0.356811341695 0.584363833159 0.761942514279} H6 13 1
1 {} {0.339718145097 0.912545385056 0.4863271578} H7 14 1
1 {} {0.470969386604 0.636267723085 0.291907396768} H8 15 1
1 {} {0.586954795474 0.691795990865 0.500484569061} H10 16 1
8 {} {0.351048992192 0.584163123516 0.50998547525} O 17 1
1 {} {0.308507921349 0.873200017288 0.542664227773} 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
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
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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2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 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
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end