./iterations/neb0_image03_iter76.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 {} {0.467889244824 0.233061080902 0.481672626967} O1 1 1
14 {} {0.330253765118 0.237394863868 0.571360717923} Si1 2 1
14 {} {0.589686949927 0.333218854825 0.433653210315} Si2 3 1
8 {} {0.528378608129 0.477489105842 0.387535887368} O2 4 1
8 {} {0.32668676013 0.369098137195 0.669097426045} O3 5 1
14 {} {0.272143380637 0.51795241777 0.708898981531} Si3 6 1
14 {} {0.530175656244 0.642517851236 0.387694779656} Si4 7 1
1 {} {0.328024458716 0.117525240222 0.659267454353} H1 8 1
1 {} {0.213682384387 0.239641003328 0.479160604205} H2 9 1
1 {} {0.6574944103 0.268847006066 0.317696888016} H3 10 1
1 {} {0.682413030351 0.353037402458 0.548730179668} H4 11 1
1 {} {0.123783556208 0.51393143928 0.721352273769} H5 12 1
1 {} {0.337012935753 0.559927258131 0.836458468741} H6 13 1
1 {} {0.393113939977 0.696777908165 0.367915684847} H7 14 1
1 {} {0.612681816769 0.688485305232 0.272499851455} H8 15 1
1 {} {0.593657494168 0.693179970799 0.513020646949} H10 16 1
8 {} {0.3164127755 0.616573311967 0.584934950918} O 17 1
1 {} {0.306594944108 0.713859797075 0.590107373908} 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