iterations/neb0_image04_iter218.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465227733438 0.258316721641 0.488748374492} O1 1 1
14 {} {0.325721674981 0.229152536774 0.569447371028} Si1 2 1
14 {} {0.59416461855 0.348557504925 0.445803265595} Si2 3 1
8 {} {0.55092907067 0.503447381117 0.421959506928} O2 4 1
8 {} {0.289423932817 0.348325138409 0.677061305804} O3 5 1
14 {} {0.24718966042 0.504827524237 0.703833014632} Si3 6 1
14 {} {0.572576918585 0.664596783145 0.400078846901} Si4 7 1
1 {} {0.342414281919 0.103376014199 0.647431549308} H1 8 1
1 {} {0.216712069586 0.215896949418 0.468159928116} H2 9 1
1 {} {0.647047298307 0.291236926003 0.320472209403} H3 10 1
1 {} {0.697179449629 0.344397210979 0.552310588645} H4 11 1
1 {} {0.105420134673 0.51493311515 0.751231875704} H5 12 1
1 {} {0.344364838207 0.557779664123 0.804022093324} H6 13 1
1 {} {0.444182285628 0.734033120498 0.427258392301} H7 14 1
1 {} {0.61373803106 0.691406501443 0.259202602877} H8 15 1
1 {} {0.680974939283 0.714716977506 0.4898415967} H10 16 1
8 {} {0.26184028626 0.582921679955 0.558965535155} O 17 1
1 {} {0.210978770266 0.664596100774 0.545230113655} 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