./iterations/neb0_image03_iter277.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457374421318 0.263831697136 0.483946342025} O1 1 1
14 {} {0.324458247996 0.240961619734 0.576192247921} Si1 2 1
14 {} {0.588419062912 0.346982851345 0.431188151747} Si2 3 1
8 {} {0.542986774396 0.49275606042 0.371360107068} O2 4 1
8 {} {0.304257176432 0.361363672046 0.685199395088} O3 5 1
14 {} {0.250911855698 0.508903626484 0.733471605709} Si3 6 1
14 {} {0.565268892358 0.65595162289 0.36921542812} Si4 7 1
1 {} {0.34181150179 0.114102523398 0.650432633045} H1 8 1
1 {} {0.207113487391 0.236750242852 0.485236712902} H2 9 1
1 {} {0.649459671468 0.269401857345 0.320069481524} H3 10 1
1 {} {0.683646089522 0.366424031121 0.54455671734} H4 11 1
1 {} {0.103118544004 0.499842490439 0.75113047947} H5 12 1
1 {} {0.318249948574 0.545558095148 0.85987604372} H6 13 1
1 {} {0.430844447769 0.717867052691 0.355457343298} H7 14 1
1 {} {0.649371924581 0.693874304779 0.250607556887} H8 15 1
1 {} {0.630721097792 0.70164703253 0.495833896801} H10 16 1
8 {} {0.296881960362 0.627377986823 0.62925032086} O 17 1
1 {} {0.26519099148 0.628921245625 0.538033116695} 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