iterations/neb0_image04_iter38.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.470315557893 0.230142895462 0.482933481426} O1 1 1
14 {} {0.333244342975 0.235142572678 0.571079751804} Si1 2 1
14 {} {0.590219005243 0.331198952754 0.437314154487} Si2 3 1
8 {} {0.526058311955 0.477493025655 0.398675484464} O2 4 1
8 {} {0.333695439149 0.373232540716 0.658206385495} O3 5 1
14 {} {0.278680971215 0.522568006163 0.697968479808} Si3 6 1
14 {} {0.518338212261 0.642674582623 0.403129406425} Si4 7 1
1 {} {0.33077279796 0.119633974353 0.663015707264} H1 8 1
1 {} {0.215421441295 0.233334380357 0.48203926294} H2 9 1
1 {} {0.65788105413 0.256753395008 0.328498987278} H3 10 1
1 {} {0.688131998571 0.336343310225 0.548251348494} H4 11 1
1 {} {0.128709680474 0.523685828527 0.704270471355} H5 12 1
1 {} {0.340407274963 0.56312364301 0.828250868926} H6 13 1
1 {} {0.392771017256 0.728155177519 0.403268893362} H7 14 1
1 {} {0.570039456988 0.688014794524 0.271969882818} H8 15 1
1 {} {0.588640202329 0.6854977368 0.527063962443} H10 16 1
8 {} {0.333549043025 0.617568367697 0.577370985175} O 17 1
1 {} {0.313210321818 0.707954778538 0.547750499682} 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