iterations/neb0_image06_iter138.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 {} {0.471006331853 0.229822783787 0.486146748902} O1 1 1
14 {} {0.330070864661 0.222597117598 0.569880082371} Si1 2 1
14 {} {0.604017924339 0.319957292655 0.449934978909} Si2 3 1
8 {} {0.572598069588 0.478770634853 0.430701725626} O2 4 1
8 {} {0.313960603158 0.353203288027 0.671165276375} O3 5 1
14 {} {0.286547784701 0.514261208569 0.661622153151} Si3 6 1
14 {} {0.488453119252 0.616386724148 0.447361856681} Si4 7 1
1 {} {0.331543853081 0.104853721793 0.659339746934} H1 8 1
1 {} {0.217227074159 0.219622919717 0.472737881928} H2 9 1
1 {} {0.658558237614 0.267770798136 0.322463909216} H3 10 1
1 {} {0.703485651472 0.313698202002 0.560523192014} H4 11 1
1 {} {0.140883841936 0.536203167529 0.688020713561} H5 12 1
1 {} {0.368396037286 0.585905153665 0.764439148656} H6 13 1
1 {} {0.392530639367 0.808110115551 0.491401798353} H7 14 1
1 {} {0.475760922578 0.671216451864 0.309116102256} H8 15 1
1 {} {0.587092945501 0.697294138599 0.523388934569} H10 16 1
8 {} {0.33682308977 0.568029768767 0.512286557871} O 17 1
1 {} {0.331129047724 0.764814377879 0.510527176278} 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