iterations/neb0_image05_iter153.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 {} {0.47451484205 0.229602503996 0.483177876174} O1 1 1
14 {} {0.330838295237 0.227491908972 0.567238028865} Si1 2 1
14 {} {0.595613328734 0.338943466761 0.456515780148} Si2 3 1
8 {} {0.533676471015 0.491889821612 0.469847610445} O2 4 1
8 {} {0.305893250157 0.363080281718 0.655190772809} O3 5 1
14 {} {0.263130089937 0.521566153994 0.668574073537} Si3 6 1
14 {} {0.542415032557 0.654586250888 0.436347675393} Si4 7 1
1 {} {0.334672668586 0.112034089289 0.663180850209} H1 8 1
1 {} {0.223475426505 0.206692810548 0.464710613895} H2 9 1
1 {} {0.650022280363 0.310213426513 0.3195026083} H3 10 1
1 {} {0.700969187169 0.318751271713 0.562088302503} H4 11 1
1 {} {0.128952996135 0.53047379386 0.734521643223} H5 12 1
1 {} {0.370197692021 0.587473600542 0.751295031472} H6 13 1
1 {} {0.443871679376 0.751283050015 0.4997040382} H7 14 1
1 {} {0.516376749017 0.66044525278 0.287139127352} H8 15 1
1 {} {0.671091964094 0.705411932797 0.487887236554} H10 16 1
8 {} {0.25337385984 0.583412445656 0.514324078285} O 17 1
1 {} {0.271000209055 0.679165859427 0.509812752842} 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