iterations/neb0_image05_iter54.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 {} {0.469851919723 0.22340642508 0.481516335774} O1 1 1
14 {} {0.332151389532 0.2295976224 0.570358265407} Si1 2 1
14 {} {0.590483120336 0.329233701416 0.441827849926} Si2 3 1
8 {} {0.526094096996 0.475861052519 0.41043881363} O2 4 1
8 {} {0.333338758844 0.36464886943 0.66699526665} O3 5 1
14 {} {0.286919693079 0.51949387807 0.688436268748} Si3 6 1
14 {} {0.503255185366 0.640345775275 0.430823828046} Si4 7 1
1 {} {0.330375378786 0.11540101363 0.665241698293} H1 8 1
1 {} {0.212372289281 0.232808627741 0.480230654454} H2 9 1
1 {} {0.654730143191 0.266581148236 0.323913499679} H3 10 1
1 {} {0.689528778407 0.338913491542 0.552792330981} H4 11 1
1 {} {0.137390826297 0.534621835683 0.689476728555} H5 12 1
1 {} {0.344017880978 0.569026397717 0.81834436273} H6 13 1
1 {} {0.393331212786 0.760523804506 0.42169330323} H7 14 1
1 {} {0.530551762182 0.682211104081 0.293373383691} H8 15 1
1 {} {0.596931545669 0.692980070351 0.532707282963} H10 16 1
8 {} {0.349185755289 0.603651071106 0.557531092661} O 17 1
1 {} {0.329576376633 0.693212065087 0.505357010268} 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