iterations/neb0_image09_iter94.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472164624653 0.213596085966 0.494853869692} O1 1 1
14 {} {0.3355656493 0.216313095397 0.586232071631} Si1 2 1
14 {} {0.603119716704 0.299433673464 0.444951911159} Si2 3 1
8 {} {0.560934225247 0.452168226027 0.400809865885} O2 4 1
8 {} {0.328090596037 0.354064460663 0.676216256246} O3 5 1
14 {} {0.296535157064 0.515480893355 0.670027070401} Si3 6 1
14 {} {0.506889140484 0.599196546516 0.450889401932} Si4 7 1
1 {} {0.339604115025 0.101786336742 0.68057937709} H1 8 1
1 {} {0.218204187626 0.209669950191 0.494604609958} H2 9 1
1 {} {0.659128967796 0.232501491252 0.325053468401} H3 10 1
1 {} {0.701949275477 0.305793823161 0.556501736789} H4 11 1
1 {} {0.150214158168 0.538041700801 0.656436043521} H5 12 1
1 {} {0.351349694067 0.575524919986 0.794454414272} H6 13 1
1 {} {0.323242339769 0.879737025401 0.414276537459} H7 14 1
1 {} {0.476359678534 0.67896407979 0.329549931602} H8 15 1
1 {} {0.611786286794 0.663675211069 0.535111475279} H10 16 1
8 {} {0.368771750169 0.584384142137 0.538783305627} O 17 1
1 {} {0.306176609683 0.852186296334 0.481726616696} 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
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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