./iterations/neb0_image06_iter219.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 {} {0.475065570193 0.228499015329 0.487258623808} O1 1 1
14 {} {0.330991535519 0.216270602736 0.565021640371} Si1 2 1
14 {} {0.608582254707 0.319634548055 0.460640984606} Si2 3 1
8 {} {0.575437037636 0.477713284106 0.478462139012} O2 4 1
8 {} {0.294920735371 0.351843324991 0.651741396115} O3 5 1
14 {} {0.284537720379 0.51634113509 0.651387035114} Si3 6 1
14 {} {0.489362541555 0.612801204005 0.447545340723} Si4 7 1
1 {} {0.334500392767 0.104908514918 0.663391805685} H1 8 1
1 {} {0.225474922541 0.194174342873 0.4624411149} H2 9 1
1 {} {0.651565041071 0.299267326451 0.319689836615} H3 10 1
1 {} {0.713298587792 0.291861351238 0.56193469869} H4 11 1
1 {} {0.145839060917 0.54656840512 0.696470394948} H5 12 1
1 {} {0.383530439868 0.576021899405 0.743251114762} H6 13 1
1 {} {0.388912426237 0.812072819239 0.527745904621} H7 14 1
1 {} {0.468984378273 0.650287770318 0.305946372335} H8 15 1
1 {} {0.588622591093 0.715714208627 0.498617626374} H10 16 1
8 {} {0.3294099466 0.576316708587 0.503208876747} O 17 1
1 {} {0.321050752584 0.782221460339 0.506303224797} 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