iterations/neb0_image08_iter111.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471144734421 0.220495920968 0.489739414477} O1 1 1
14 {} {0.33245936451 0.220612079466 0.577241447768} Si1 2 1
14 {} {0.603646438539 0.306692525786 0.445013377682} Si2 3 1
8 {} {0.563173068508 0.459552908284 0.402300937656} O2 4 1
8 {} {0.327208085546 0.351208129075 0.677683416209} O3 5 1
14 {} {0.29954525844 0.51324972098 0.675736219846} Si3 6 1
14 {} {0.50615436138 0.604335345026 0.453629978906} Si4 7 1
1 {} {0.328887745508 0.0988004278693 0.661830527724} H1 8 1
1 {} {0.217347562515 0.227491702848 0.48330178743} H2 9 1
1 {} {0.663019051228 0.241981001998 0.325694936372} H3 10 1
1 {} {0.698469355607 0.313878588395 0.559450032297} H4 11 1
1 {} {0.153396141537 0.539008042441 0.665861598769} H5 12 1
1 {} {0.356594561786 0.569702578229 0.800917906508} H6 13 1
1 {} {0.332710055548 0.853225344431 0.421059633245} H7 14 1
1 {} {0.473709890384 0.681761551536 0.331881225087} H8 15 1
1 {} {0.60880179896 0.673130283964 0.536093043547} H10 16 1
8 {} {0.37127295193 0.58140136186 0.54496082165} O 17 1
1 {} {0.302545730668 0.815990467545 0.478661644554} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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