iterations/neb0_image07_iter238.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 {} {0.475774636696 0.224755806813 0.497899972647} O1 1 1
14 {} {0.33549402153 0.214498063859 0.582713317731} Si1 2 1
14 {} {0.615639338675 0.297547423644 0.454071828095} Si2 3 1
8 {} {0.59370054488 0.457880830562 0.427055748342} O2 4 1
8 {} {0.310663170236 0.350101434804 0.672813496338} O3 5 1
14 {} {0.291084297861 0.511289534774 0.647712379399} Si3 6 1
14 {} {0.496735172305 0.589889803402 0.431537511294} Si4 7 1
1 {} {0.342934060346 0.10032366768 0.676410468747} H1 8 1
1 {} {0.224072576967 0.198367188626 0.485420582001} H2 9 1
1 {} {0.659922731036 0.232973121643 0.328141593846} H3 10 1
1 {} {0.716936767654 0.284823698298 0.56237430902} H4 11 1
1 {} {0.147230666593 0.548076982972 0.647180316791} H5 12 1
1 {} {0.366154297685 0.579919437863 0.756427063038} H6 13 1
1 {} {0.34037124625 0.927070574039 0.504361104781} H7 14 1
1 {} {0.469545365116 0.634763348453 0.293081413727} H8 15 1
1 {} {0.561369256477 0.694210599368 0.515546036535} H10 16 1
8 {} {0.350421692061 0.553351122236 0.500704367978} O 17 1
1 {} {0.312036030154 0.872675184306 0.547606238588} 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