./iterations/neb0_image06_iter190.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 {} {0.475398621311 0.223922571821 0.486961023153} O1 1 1
14 {} {0.332260390726 0.217525979433 0.56520622697} Si1 2 1
14 {} {0.60738937632 0.317424695916 0.456259157018} Si2 3 1
8 {} {0.569851260602 0.475122360263 0.459566002768} O2 4 1
8 {} {0.305293650199 0.353750459676 0.653512786868} O3 5 1
14 {} {0.286913887024 0.516733241188 0.655209704573} Si3 6 1
14 {} {0.484709420364 0.612944197229 0.446474840673} Si4 7 1
1 {} {0.337336974248 0.105054329759 0.661435138522} H1 8 1
1 {} {0.223808819329 0.203250333479 0.464567766767} H2 9 1
1 {} {0.65825568323 0.28529615229 0.321047136429} H3 10 1
1 {} {0.709980877476 0.293933449901 0.560690057381} H4 11 1
1 {} {0.145898683626 0.547120432655 0.692758822382} H5 12 1
1 {} {0.378405316983 0.580021006817 0.754158406381} H6 13 1
1 {} {0.390302307691 0.813390543651 0.52629804368} H7 14 1
1 {} {0.469102963233 0.658548776248 0.305755519571} H8 15 1
1 {} {0.582185774432 0.707482010292 0.510286038891} H10 16 1
8 {} {0.329924295579 0.577243901982 0.507157986071} O 17 1
1 {} {0.323067632802 0.78375341126 0.503713418105} 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