./iterations/neb0_image05_iter130.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 {} {0.470857815159 0.228236441919 0.487220364861} O1 1 1
14 {} {0.330488018058 0.223742244624 0.569742167873} Si1 2 1
14 {} {0.593531229967 0.333560247224 0.450118205032} Si2 3 1
8 {} {0.536886149794 0.487149155193 0.440404263269} O2 4 1
8 {} {0.319253141883 0.359092188692 0.664230556548} O3 5 1
14 {} {0.280221380932 0.516054999705 0.677334876823} Si3 6 1
14 {} {0.51480822534 0.652753442567 0.430194903128} Si4 7 1
1 {} {0.330626927195 0.106969518115 0.660808537844} H1 8 1
1 {} {0.214964814629 0.221091660844 0.476331683618} H2 9 1
1 {} {0.651190408758 0.279604862924 0.323379396752} H3 10 1
1 {} {0.698036599454 0.327524275822 0.557187895879} H4 11 1
1 {} {0.134582787076 0.531677250557 0.698951746257} H5 12 1
1 {} {0.362958419411 0.58072635909 0.782357423906} H6 13 1
1 {} {0.421934957219 0.774067585559 0.454408976745} H7 14 1
1 {} {0.521144815083 0.670866237425 0.281321851816} H8 15 1
1 {} {0.622707275375 0.696836643428 0.520145685972} H10 16 1
8 {} {0.314083870944 0.593522906771 0.531705580448} O 17 1
1 {} {0.291809217632 0.689041893667 0.525213894177} 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