iterations/neb0_image05_iter241.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471229911725 0.258036922217 0.491753879454} O1 1 1
14 {} {0.325720432848 0.229018205002 0.559007178895} Si1 2 1
14 {} {0.608679217387 0.346467099632 0.47150124516} Si2 3 1
8 {} {0.581005336004 0.504743866177 0.517111454265} O2 4 1
8 {} {0.264535814394 0.364282248373 0.625128766113} O3 5 1
14 {} {0.234325835072 0.52456881151 0.658129250757} Si3 6 1
14 {} {0.575062191399 0.658056875485 0.454577363767} Si4 7 1
1 {} {0.338516805658 0.125369087362 0.665960585809} H1 8 1
1 {} {0.234859661057 0.180992687743 0.450319097188} H2 9 1
1 {} {0.647943597604 0.340448766527 0.326959080566} H3 10 1
1 {} {0.714755055399 0.288836766683 0.558834112108} H4 11 1
1 {} {0.136789417843 0.530595690114 0.771426149821} H5 12 1
1 {} {0.36520236812 0.591989131097 0.690463725102} H6 13 1
1 {} {0.514126920395 0.748555298035 0.556207194394} H7 14 1
1 {} {0.485443921173 0.65086088186 0.331510792852} H8 15 1
1 {} {0.714542827429 0.708687761109 0.418369053706} H10 16 1
8 {} {0.165479208796 0.603946424527 0.528408126946} O 17 1
1 {} {0.231867506016 0.617061557575 0.455391145023} 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