iterations/neb0_image05_iter81.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 {} {0.470381417067 0.22410407193 0.487384184253} O1 1 1
14 {} {0.332204254826 0.224486101819 0.575405652783} Si1 2 1
14 {} {0.589268413455 0.330757449664 0.443884958611} Si2 3 1
8 {} {0.528635909014 0.47972342577 0.41926217637} O2 4 1
8 {} {0.327541934967 0.357411939911 0.675048555338} O3 5 1
14 {} {0.288726457531 0.515489050429 0.683206927355} Si3 6 1
14 {} {0.503454407808 0.64643962705 0.42808302287} Si4 7 1
1 {} {0.326693673437 0.10365989139 0.662170477898} H1 8 1
1 {} {0.215345418065 0.232576074526 0.483434921607} H2 9 1
1 {} {0.651967181544 0.278571487419 0.319306764986} H3 10 1
1 {} {0.686011135939 0.336115548541 0.556343386517} H4 11 1
1 {} {0.141740394436 0.540859758994 0.674941268647} H5 12 1
1 {} {0.354077116956 0.573368572379 0.804441838404} H6 13 1
1 {} {0.395881193899 0.769248914793 0.434629402197} H7 14 1
1 {} {0.53378955167 0.675292879882 0.28566709796} H8 15 1
1 {} {0.598175274398 0.695764584978 0.530541623758} H10 16 1
8 {} {0.346281939018 0.596423377966 0.546150823289} O 17 1
1 {} {0.319910428234 0.692225184252 0.52115490311} 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