iterations/neb0_image03_iter140.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 {} {0.463394255598 0.249125929083 0.489888459704} O1 1 1
14 {} {0.326970294917 0.234540004811 0.57972527106} Si1 2 1
14 {} {0.584034506218 0.344946486135 0.431977835527} Si2 3 1
8 {} {0.525008501658 0.489051059906 0.381261248303} O2 4 1
8 {} {0.314815907475 0.353479188315 0.69282848896} O3 5 1
14 {} {0.266689230633 0.507752680547 0.721117279377} Si3 6 1
14 {} {0.547938061843 0.651772039377 0.373661754869} Si4 7 1
1 {} {0.333827802857 0.104288060217 0.651843149335} H1 8 1
1 {} {0.208207973582 0.239702950193 0.489156335931} H2 9 1
1 {} {0.645348820474 0.271657001965 0.317638447147} H3 10 1
1 {} {0.682217395715 0.370246852397 0.54121919306} H4 11 1
1 {} {0.117774159186 0.517373091627 0.724297825908} H5 12 1
1 {} {0.326138843351 0.547145645251 0.851204315229} H6 13 1
1 {} {0.418584073869 0.714169409765 0.340092694394} H7 14 1
1 {} {0.64641783526 0.678545825159 0.265265335316} H8 15 1
1 {} {0.602143945046 0.707281894765 0.499619215294} H10 16 1
8 {} {0.32586501638 0.605198403678 0.598306599529} O 17 1
1 {} {0.274709546225 0.686241499572 0.58195441247} 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