iterations/neb0_image06_iter274.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470501307321 0.250729189149 0.488132923944} O1 1 1
14 {} {0.32465868065 0.221924546481 0.55947763234} Si1 2 1
14 {} {0.60830317793 0.336659111113 0.47207851913} Si2 3 1
8 {} {0.584974033742 0.489968569628 0.528820158954} O2 4 1
8 {} {0.25655438133 0.354134490563 0.631484469518} O3 5 1
14 {} {0.274934039968 0.515780440821 0.656744285442} Si3 6 1
14 {} {0.493929761328 0.611110062365 0.460851904128} Si4 7 1
1 {} {0.341239433878 0.120838401486 0.667317872993} H1 8 1
1 {} {0.237295710631 0.176066558815 0.449345996319} H2 9 1
1 {} {0.639782308334 0.346033005618 0.325598785175} H3 10 1
1 {} {0.718903271529 0.275131565735 0.551144501294} H4 11 1
1 {} {0.145113646105 0.565237131778 0.71372331925} H5 12 1
1 {} {0.381488771551 0.559220635293 0.751819896253} H6 13 1
1 {} {0.401145116615 0.78998978399 0.500315005999} H7 14 1
1 {} {0.472480266031 0.612603189951 0.315693848309} H8 15 1
1 {} {0.59478941945 0.724628484094 0.474860298891} H10 16 1
8 {} {0.327340775934 0.574249029674 0.509840205554} O 17 1
1 {} {0.336651963194 0.748213955602 0.473808712465} 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