iterations/neb0_image06_iter42.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 {} {0.469469056721 0.224679976113 0.482402469095} O1 1 1
14 {} {0.332261644501 0.229938135774 0.570627486298} Si1 2 1
14 {} {0.594757061092 0.32071106564 0.44078065353} Si2 3 1
8 {} {0.538016159502 0.468819993116 0.403612563599} O2 4 1
8 {} {0.333179635233 0.363223208239 0.6657665414} O3 5 1
14 {} {0.293942518525 0.518374072912 0.683372794825} Si3 6 1
14 {} {0.496763200027 0.621606025425 0.447838022683} Si4 7 1
1 {} {0.329435427717 0.113420336576 0.659572016681} H1 8 1
1 {} {0.21576888789 0.23493283992 0.48033485682} H2 9 1
1 {} {0.661422704137 0.253437555991 0.327606192042} H3 10 1
1 {} {0.691017402389 0.333091002568 0.552139732175} H4 11 1
1 {} {0.144353147222 0.530435524092 0.691466128557} H5 12 1
1 {} {0.343625516903 0.566164438013 0.815921093632} H6 13 1
1 {} {0.35911356727 0.787906808439 0.424512223535} H7 14 1
1 {} {0.511987517837 0.682353514728 0.310845164743} H8 15 1
1 {} {0.59644081814 0.685780318809 0.538393909511} H10 16 1
8 {} {0.365453917431 0.594555457899 0.556722166508} O 17 1
1 {} {0.333077946208 0.743087678904 0.479143966787} 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