iterations/neb0_image09_iter258.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 {} {0.472380390004 0.213956755697 0.494584966444} O1 1 1
14 {} {0.333348116084 0.214707750229 0.581681368057} Si1 2 1
14 {} {0.606661205414 0.295122735497 0.445976134131} Si2 3 1
8 {} {0.570369627492 0.450372878561 0.406972965731} O2 4 1
8 {} {0.322870552294 0.350473548021 0.674406050071} O3 5 1
14 {} {0.300496819437 0.51316926408 0.672111481177} Si3 6 1
14 {} {0.511885432252 0.597142702729 0.452450654733} Si4 7 1
1 {} {0.334213272618 0.0977073402453 0.672836942059} H1 8 1
1 {} {0.219052507149 0.210239548991 0.486316681574} H2 9 1
1 {} {0.6588951073 0.228494672696 0.32399689289} H3 10 1
1 {} {0.706303680784 0.294212230732 0.556919192797} H4 11 1
1 {} {0.155696776312 0.544433164704 0.659448552387} H5 12 1
1 {} {0.359177609749 0.567241520048 0.797698112564} H6 13 1
1 {} {0.314850791774 0.916569044129 0.434326453875} H7 14 1
1 {} {0.47556664051 0.672360568443 0.329924384124} H8 15 1
1 {} {0.615071354486 0.667392068686 0.533964470465} H10 16 1
8 {} {0.374972188658 0.580267883054 0.541692380417} O 17 1
1 {} {0.27827408254 0.85865425187 0.46574996782} 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