iterations/neb0_image09_iter127.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 {} {0.471869194739 0.214654409454 0.494059048832} O1 1 1
14 {} {0.335007261776 0.216198744699 0.584911960876} Si1 2 1
14 {} {0.603704877398 0.29921944344 0.444521347305} Si2 3 1
8 {} {0.562474928663 0.452143628518 0.400461247519} O2 4 1
8 {} {0.326675188658 0.352666958112 0.676834698351} O3 5 1
14 {} {0.297406708258 0.514462128378 0.670949028315} Si3 6 1
14 {} {0.508216758942 0.598734153525 0.451591952716} Si4 7 1
1 {} {0.338578406356 0.100416935508 0.677552044825} H1 8 1
1 {} {0.217762518657 0.210787874047 0.49323431476} H2 9 1
1 {} {0.658915247236 0.230679760422 0.324929156023} H3 10 1
1 {} {0.702582353103 0.30725841456 0.556068757415} H4 11 1
1 {} {0.151383797314 0.538793176574 0.657150780895} H5 12 1
1 {} {0.351861776418 0.573810447483 0.796006295115} H6 13 1
1 {} {0.322483300957 0.885496687577 0.415966948061} H7 14 1
1 {} {0.475795109729 0.677485928135 0.330082682057} H8 15 1
1 {} {0.612409024825 0.664949536257 0.535656956739} H10 16 1
8 {} {0.370722556624 0.582102072384 0.540117045131} O 17 1
1 {} {0.302237131966 0.852657678594 0.480963685658} 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