iterations/neb0_image09_iter269.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 {} {0.472688848329 0.212700438394 0.494784358582} O1 1 1
14 {} {0.333283092188 0.21469061126 0.581925872319} Si1 2 1
14 {} {0.606757726703 0.294337187266 0.446592496419} Si2 3 1
8 {} {0.570742398108 0.450058633689 0.408802725769} O2 4 1
8 {} {0.322733322263 0.351068835835 0.673403716133} O3 5 1
14 {} {0.300718281348 0.514068509741 0.671087537931} Si3 6 1
14 {} {0.512251662366 0.597068362569 0.452417051697} Si4 7 1
1 {} {0.334120301151 0.0982744154551 0.674279955839} H1 8 1
1 {} {0.21903580991 0.209489681643 0.486279404589} H2 9 1
1 {} {0.658662491296 0.228627702563 0.324000766717} H3 10 1
1 {} {0.706793409013 0.291767863733 0.55720525142} H4 11 1
1 {} {0.155722378031 0.545139136982 0.659761406827} H5 12 1
1 {} {0.359980030998 0.567225615177 0.79683134696} H6 13 1
1 {} {0.313832470467 0.918238519783 0.435969188145} H7 14 1
1 {} {0.476795687445 0.671419205297 0.329091998387} H8 15 1
1 {} {0.615091794907 0.667962363163 0.533443518126} H10 16 1
8 {} {0.374204490271 0.581211574369 0.540984327274} O 17 1
1 {} {0.276671987157 0.859169253117 0.464196732853} 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