./iterations/neb0_image07_iter251.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.4768908045 0.218427894545 0.500238414752} O1 1 1
14 {} {0.335716924951 0.212831201596 0.584030704262} Si1 2 1
14 {} {0.61438172815 0.294904502076 0.454918020074} Si2 3 1
8 {} {0.587771110578 0.454957000935 0.428723996482} O2 4 1
8 {} {0.313379362676 0.351663444923 0.668682914853} O3 5 1
14 {} {0.291120142941 0.513249092503 0.647424408526} Si3 6 1
14 {} {0.49629640969 0.59073855204 0.431145639221} Si4 7 1
1 {} {0.342143056086 0.10202997842 0.682558183169} H1 8 1
1 {} {0.225651745112 0.193314292182 0.485646032424} H2 9 1
1 {} {0.660666346359 0.233652667876 0.327599432174} H3 10 1
1 {} {0.71719328709 0.283926330352 0.562314615618} H4 11 1
1 {} {0.146736744683 0.54511605161 0.645842421571} H5 12 1
1 {} {0.36472116558 0.580877091677 0.75721848331} H6 13 1
1 {} {0.338625982892 0.928561358631 0.502097961796} H7 14 1
1 {} {0.469856023834 0.635522089203 0.291781716887} H8 15 1
1 {} {0.567900546551 0.695544672084 0.51117117762} H10 16 1
8 {} {0.350444788241 0.559971749992 0.50063884098} O 17 1
1 {} {0.310589661749 0.877229856957 0.549024750541} 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