iterations/neb0_image01_iter184.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464727095166 0.254509106228 0.477047030599} O1 1 1
14 {} {0.327276381683 0.251242728322 0.566631340661} Si1 2 1
14 {} {0.59796086804 0.336068545436 0.42697625805} Si2 3 1
8 {} {0.556701380344 0.47664424964 0.352724778905} O2 4 1
8 {} {0.325254614389 0.376468530733 0.672459902036} O3 5 1
14 {} {0.256015341005 0.513265496634 0.732994880919} Si3 6 1
14 {} {0.537652279173 0.639981768104 0.362498109299} Si4 7 1
1 {} {0.32676672537 0.124251471938 0.644179499196} H1 8 1
1 {} {0.210358817397 0.259597922336 0.474280095775} H2 9 1
1 {} {0.666882218048 0.250231811023 0.327286884384} H3 10 1
1 {} {0.684192347539 0.366991671255 0.544801372164} H4 11 1
1 {} {0.109671821757 0.494055135232 0.751001739497} H5 12 1
1 {} {0.326677556141 0.540644344693 0.861228548939} H6 13 1
1 {} {0.400178111726 0.677295671473 0.318798411691} H7 14 1
1 {} {0.638777058594 0.707291991985 0.276230288739} H8 15 1
1 {} {0.557089816534 0.685317689779 0.504427577276} H10 16 1
8 {} {0.268173967862 0.640669965459 0.628315099915} O 17 1
1 {} {0.355729528999 0.67798974712 0.609176082984} 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
12 5 0 0
1 0 0 0
2 0 0 0
16 5 0 0
4 1 0 0
3 2 0 0
17 16 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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