iterations/neb0_image05_iter269.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470687765627 0.265830298293 0.490613516043} O1 1 1
14 {} {0.323827342045 0.233509312761 0.558047194996} Si1 2 1
14 {} {0.611695996819 0.347273654491 0.473186389102} Si2 3 1
8 {} {0.599499018338 0.503583115485 0.52389966234} O2 4 1
8 {} {0.252928103338 0.365176280245 0.622317663382} O3 5 1
14 {} {0.235333686047 0.52576731296 0.655050773707} Si3 6 1
14 {} {0.577043263029 0.656443219018 0.461591752286} Si4 7 1
1 {} {0.340757102398 0.135843179124 0.668567078943} H1 8 1
1 {} {0.241797472607 0.178987863771 0.447009360562} H2 9 1
1 {} {0.647499720725 0.344552133657 0.3280039214} H3 10 1
1 {} {0.715050034771 0.2815678902 0.557649537298} H4 11 1
1 {} {0.133141453461 0.54173905572 0.759592545413} H5 12 1
1 {} {0.36569621575 0.580955658758 0.70210939538} H6 13 1
1 {} {0.532874295088 0.753257332347 0.565775029019} H7 14 1
1 {} {0.474366684348 0.647716013343 0.352763207789} H8 15 1
1 {} {0.706110960571 0.705031296432 0.404177451903} H10 16 1
8 {} {0.169845791919 0.602722034995 0.524192230385} O 17 1
1 {} {0.2119311503 0.602562475125 0.436511491604} 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