iterations/neb0_image06_iter108.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 {} {0.470493835827 0.22615703761 0.491214879256} O1 1 1
14 {} {0.330100362752 0.222827346296 0.57685710258} Si1 2 1
14 {} {0.597307766358 0.320646773628 0.448385559714} Si2 3 1
8 {} {0.554453039557 0.471789744888 0.41186135794} O2 4 1
8 {} {0.323675980629 0.353121456767 0.677165605988} O3 5 1
14 {} {0.294648201822 0.514559912725 0.671470457963} Si3 6 1
14 {} {0.495827018852 0.620765344261 0.445637519237} Si4 7 1
1 {} {0.327619307162 0.099092331247 0.65782426696} H1 8 1
1 {} {0.214868078753 0.228271784325 0.483731286635} H2 9 1
1 {} {0.652963294494 0.265292511282 0.323104013509} H3 10 1
1 {} {0.696122283898 0.32343793016 0.560553706851} H4 11 1
1 {} {0.1476731959 0.539147278458 0.669355583056} H5 12 1
1 {} {0.35977333656 0.575829754613 0.790645085822} H6 13 1
1 {} {0.373276654772 0.801600045572 0.454386673744} H7 14 1
1 {} {0.494942765736 0.679710566006 0.307549335509} H8 15 1
1 {} {0.590674811043 0.697822225316 0.530546528063} H10 16 1
8 {} {0.356625268111 0.580786187585 0.533549936453} O 17 1
1 {} {0.329040894696 0.751659723595 0.497219103547} 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