./iterations/neb0_image06_iter256.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.47332013251 0.240677235051 0.493195815619} O1 1 1
14 {} {0.326704204646 0.217900974184 0.563069451665} Si1 2 1
14 {} {0.607976025008 0.329883091018 0.466550531727} Si2 3 1
8 {} {0.578149411463 0.485945159323 0.503463890994} O2 4 1
8 {} {0.276864292078 0.353832616313 0.640306309429} O3 5 1
14 {} {0.280839785943 0.516371089041 0.652958503069} Si3 6 1
14 {} {0.490884833639 0.615279917692 0.452199581498} Si4 7 1
1 {} {0.338341007894 0.111269896953 0.666217066362} H1 8 1
1 {} {0.229915443961 0.182199683299 0.454781759728} H2 9 1
1 {} {0.645331336889 0.323409160728 0.322769837851} H3 10 1
1 {} {0.715050240178 0.280868516446 0.555450855922} H4 11 1
1 {} {0.147037032707 0.552048097774 0.705848122226} H5 12 1
1 {} {0.38325678889 0.570697093712 0.745837256816} H6 13 1
1 {} {0.390371252715 0.802917166578 0.517226238661} H7 14 1
1 {} {0.475372239417 0.627331520076 0.305428755099} H8 15 1
1 {} {0.594802664062 0.721130386137 0.486068019417} H10 16 1
8 {} {0.328818137304 0.579194252343 0.505991995976} O 17 1
1 {} {0.327051177729 0.761562183671 0.493694261216} 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