./iterations/neb0_image03_iter158.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.459384278419 0.25837392838 0.493285054204} O1 1 1
14 {} {0.324838502105 0.234629909939 0.583219525715} Si1 2 1
14 {} {0.581683422895 0.348302166059 0.432808011112} Si2 3 1
8 {} {0.525830424586 0.491374125744 0.3749689614} O2 4 1
8 {} {0.31014030519 0.349351650076 0.698833628916} O3 5 1
14 {} {0.26313342142 0.504549523802 0.728990134303} Si3 6 1
14 {} {0.556210653279 0.653909232788 0.366585805905} Si4 7 1
1 {} {0.337494862721 0.101839284808 0.648340501447} H1 8 1
1 {} {0.208142623407 0.239716708371 0.492024886671} H2 9 1
1 {} {0.64100950294 0.273782205167 0.319573210943} H3 10 1
1 {} {0.683536893544 0.374247713807 0.53801465562} H4 11 1
1 {} {0.114408608898 0.517865889963 0.725340856318} H5 12 1
1 {} {0.321857081226 0.53963282582 0.860856490363} H6 13 1
1 {} {0.426971528497 0.721077173657 0.329335645674} H7 14 1
1 {} {0.660120779343 0.680658268326 0.259738426807} H8 15 1
1 {} {0.608449027888 0.709979177512 0.496579767888} H10 16 1
8 {} {0.324742447214 0.606755394794 0.61206506389} O 17 1
1 {} {0.262131831751 0.666472872244 0.570497176524} 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
1 0 2 {0 0 0} 0
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
6 3 2 {0 0 0} 0
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