iterations/neb0_image09_iter60.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 {} {0.472295991845 0.212032848037 0.494339396078} O1 1 1
14 {} {0.336220213805 0.216200160487 0.586410373682} Si1 2 1
14 {} {0.60307032117 0.298887363814 0.445022694642} Si2 3 1
8 {} {0.560097959996 0.451553933343 0.402190486175} O2 4 1
8 {} {0.329348994441 0.355289474699 0.674583823206} O3 5 1
14 {} {0.296358112247 0.516313447132 0.669481922946} Si3 6 1
14 {} {0.506377323431 0.598992763918 0.451292851023} Si4 7 1
1 {} {0.340500953022 0.102741508327 0.682174460576} H1 8 1
1 {} {0.2178867634 0.208879844626 0.496038784032} H2 9 1
1 {} {0.658588005783 0.231812659935 0.324921905176} H3 10 1
1 {} {0.702135037183 0.307334742113 0.556180351303} H4 11 1
1 {} {0.149979848926 0.538306330148 0.655675635329} H5 12 1
1 {} {0.350971823304 0.576850988496 0.793795215279} H6 13 1
1 {} {0.323509891286 0.877655152775 0.413522716837} H7 14 1
1 {} {0.476822628513 0.67761587222 0.329046093046} H8 15 1
1 {} {0.610362064608 0.66390900275 0.536202601919} H10 16 1
8 {} {0.368085585756 0.585708835526 0.538468629162} O 17 1
1 {} {0.307474647609 0.852433018416 0.481710047781} 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