iterations/neb0_image06_iter147.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 {} {0.472538297514 0.232210626914 0.482853736954} O1 1 1
14 {} {0.332684241697 0.221788718953 0.56779310617} Si1 2 1
14 {} {0.607334014383 0.320291994369 0.449883857845} Si2 3 1
8 {} {0.576576318635 0.476918276032 0.436641026945} O2 4 1
8 {} {0.307678281385 0.35256171585 0.665468589166} O3 5 1
14 {} {0.282295205205 0.514034823287 0.66155005166} Si3 6 1
14 {} {0.483124429227 0.609956105311 0.447785544033} Si4 7 1
1 {} {0.333159101534 0.106574859733 0.662513296502} H1 8 1
1 {} {0.22207467655 0.215334354378 0.468311632536} H2 9 1
1 {} {0.661379486944 0.275303303428 0.321248247695} H3 10 1
1 {} {0.703979859027 0.306530998227 0.559671338843} H4 11 1
1 {} {0.138101130224 0.537018797644 0.698165745121} H5 12 1
1 {} {0.37087517429 0.587766408298 0.755212091084} H6 13 1
1 {} {0.395106170298 0.81548186711 0.500637698544} H7 14 1
1 {} {0.475125546365 0.661939655449 0.307875629972} H8 15 1
1 {} {0.584140423751 0.696741364053 0.520151386739} H10 16 1
8 {} {0.331642081536 0.569602105492 0.510810798886} O 17 1
1 {} {0.332271544204 0.77246186833 0.514484220503} 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