iterations/neb0_image09_iter81.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472475511983 0.213439247861 0.494865016924} O1 1 1
14 {} {0.335954530139 0.216499133623 0.586499826852} Si1 2 1
14 {} {0.603126939583 0.299325974774 0.444973207184} Si2 3 1
8 {} {0.559746807983 0.451895985456 0.401575827535} O2 4 1
8 {} {0.328483855504 0.354662887081 0.675531513071} O3 5 1
14 {} {0.29673721143 0.516096998618 0.669410666674} Si3 6 1
14 {} {0.506888600368 0.599315794472 0.450968089532} Si4 7 1
1 {} {0.339766075448 0.10203909666 0.681034915532} H1 8 1
1 {} {0.218370505703 0.209295143692 0.495318289333} H2 9 1
1 {} {0.659071550683 0.232512090795 0.324952860025} H3 10 1
1 {} {0.701708420236 0.30570008059 0.556637410681} H4 11 1
1 {} {0.15043413977 0.538055920297 0.655903145295} H5 12 1
1 {} {0.351295910683 0.576020674708 0.793999588839} H6 13 1
1 {} {0.323539833923 0.878582471489 0.413524560849} H7 14 1
1 {} {0.475611653603 0.678765133362 0.329812087966} H8 15 1
1 {} {0.61146076039 0.663641105319 0.535744898865} H10 16 1
8 {} {0.368592569076 0.584755783476 0.538084998664} O 17 1
1 {} {0.306821290059 0.851914414808 0.48222106951} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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