./iterations/neb0_image07_iter211.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.474119625573 0.226816579072 0.496920569056} O1 1 1
14 {} {0.335068197983 0.215356091314 0.581662827141} Si1 2 1
14 {} {0.616101787993 0.30011515537 0.453117526449} Si2 3 1
8 {} {0.59794278164 0.461136366639 0.425346976284} O2 4 1
8 {} {0.309018393367 0.347883676023 0.676121853261} O3 5 1
14 {} {0.291307349476 0.511341371442 0.64908395108} Si3 6 1
14 {} {0.496978124924 0.590523117427 0.43322276559} Si4 7 1
1 {} {0.342943323769 0.0979547448334 0.672453998014} H1 8 1
1 {} {0.222182781882 0.202715544604 0.485319744471} H2 9 1
1 {} {0.659084188943 0.233212490595 0.326973098213} H3 10 1
1 {} {0.716474826072 0.287143727365 0.563289602955} H4 11 1
1 {} {0.147709199913 0.550933676038 0.646845950715} H5 12 1
1 {} {0.367759899549 0.57960586248 0.757529196771} H6 13 1
1 {} {0.342001818601 0.922726956658 0.504306978622} H7 14 1
1 {} {0.469199581472 0.635242947019 0.294351055038} H8 15 1
1 {} {0.559085727182 0.693626955874 0.519319939034} H10 16 1
8 {} {0.350873370916 0.549784901571 0.50208012471} O 17 1
1 {} {0.312234923857 0.866397654251 0.54311161851} 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