./iterations/neb0_image05_iter137.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471579482843 0.229391094287 0.484779710601} O1 1 1
14 {} {0.330837206263 0.224400777632 0.569461492464} Si1 2 1
14 {} {0.594383817189 0.335186774906 0.451941440036} Si2 3 1
8 {} {0.537121146104 0.486932883845 0.449549503799} O2 4 1
8 {} {0.315197620532 0.360304760797 0.659750576526} O3 5 1
14 {} {0.275622073971 0.517212526356 0.675872084724} Si3 6 1
14 {} {0.520785944803 0.651769408439 0.430347556268} Si4 7 1
1 {} {0.331038366246 0.108146423782 0.661625277905} H1 8 1
1 {} {0.218789209647 0.216984662787 0.473548846249} H2 9 1
1 {} {0.651390278157 0.287882625267 0.321600693721} H3 10 1
1 {} {0.697827887878 0.326345314977 0.557434322714} H4 11 1
1 {} {0.130457316916 0.531889882456 0.708663251347} H5 12 1
1 {} {0.367213418705 0.583990760622 0.774567625572} H6 13 1
1 {} {0.428259134023 0.771809224442 0.467675807121} H7 14 1
1 {} {0.52050915619 0.665864342668 0.28341563042} H8 15 1
1 {} {0.637282917158 0.699675624694 0.5126107504} H10 16 1
8 {} {0.297024768746 0.58886398894 0.527217163853} O 17 1
1 {} {0.284766299193 0.685866838635 0.520996305561} 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