iterations/neb0_image06_iter195.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.474692953555 0.22534562241 0.486030088257} O1 1 1
14 {} {0.331584100086 0.217237371094 0.565708938304} Si1 2 1
14 {} {0.607627663372 0.317118157897 0.456661037212} Si2 3 1
8 {} {0.570420797882 0.475385210757 0.4609360881} O2 4 1
8 {} {0.304878986295 0.35357398573 0.65319856411} O3 5 1
14 {} {0.286187747865 0.516649438233 0.654791897693} Si3 6 1
14 {} {0.485044226171 0.613562445023 0.446517890185} Si4 7 1
1 {} {0.33652343804 0.104821379215 0.661923186173} H1 8 1
1 {} {0.224090219832 0.203174613714 0.46467513262} H2 9 1
1 {} {0.657586637161 0.28572027717 0.319968777085} H3 10 1
1 {} {0.711282644636 0.294854151766 0.561955740886} H4 11 1
1 {} {0.144923171757 0.54638415684 0.693676276082} H5 12 1
1 {} {0.378852826249 0.579808192764 0.752665055575} H6 13 1
1 {} {0.390117116233 0.811237944094 0.527267814069} H7 14 1
1 {} {0.469214820223 0.658648922499 0.305987811937} H8 15 1
1 {} {0.583256287298 0.708083728154 0.509029394177} H10 16 1
8 {} {0.330289647564 0.577464092257 0.506870435366} O 17 1
1 {} {0.323512653631 0.783448173075 0.50319394514} 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