iterations/neb0_image03_iter254.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.456735034795 0.26785372668 0.487848891949} O1 1 1
14 {} {0.323790014526 0.240684041644 0.579673022986} Si1 2 1
14 {} {0.585883913458 0.349567596403 0.429815867746} Si2 3 1
8 {} {0.537371074702 0.494062611708 0.368405890744} O2 4 1
8 {} {0.303204192246 0.354626342589 0.694580535766} O3 5 1
14 {} {0.252748383965 0.50550327548 0.738374548586} Si3 6 1
14 {} {0.565213517786 0.656788000745 0.363052394187} Si4 7 1
1 {} {0.341682885867 0.110770582904 0.6492457568} H1 8 1
1 {} {0.205437404541 0.238669915143 0.488592098476} H2 9 1
1 {} {0.644363789758 0.269393762726 0.318817638503} H3 10 1
1 {} {0.682763761334 0.374150704212 0.540981086174} H4 11 1
1 {} {0.104022113579 0.503572656783 0.745496925877} H5 12 1
1 {} {0.316919339469 0.539648988173 0.867323438234} H6 13 1
1 {} {0.433611529714 0.722563317391 0.334814451018} H7 14 1
1 {} {0.662862002058 0.687886299886 0.253736327796} H8 15 1
1 {} {0.623654203944 0.706009420564 0.491635140027} H10 16 1
8 {} {0.306157038704 0.621657000694 0.633291681464} O 17 1
1 {} {0.263665946681 0.629109819155 0.545371899811} 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
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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