iterations/neb0_image06_iter197.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 {} {0.474555947588 0.225719910828 0.485959406281} O1 1 1
14 {} {0.331463057355 0.216435787545 0.565930379537} Si1 2 1
14 {} {0.608143605829 0.317411891948 0.457538424677} Si2 3 1
8 {} {0.570913131126 0.475782441155 0.464885675178} O2 4 1
8 {} {0.303674792775 0.352956469513 0.652250164411} O3 5 1
14 {} {0.286154043303 0.516097179272 0.653939121177} Si3 6 1
14 {} {0.485693179801 0.614182438418 0.446473368978} Si4 7 1
1 {} {0.335776799762 0.103822479156 0.662901684143} H1 8 1
1 {} {0.224318288655 0.20187498478 0.464533519116} H2 9 1
1 {} {0.655988300707 0.288374755215 0.319517910146} H3 10 1
1 {} {0.711978372276 0.294538914359 0.562475754285} H4 11 1
1 {} {0.144842566015 0.54729080521 0.693210784824} H5 12 1
1 {} {0.38024069422 0.578954480231 0.750811645401} H6 13 1
1 {} {0.389168980449 0.809466817071 0.530270306782} H7 14 1
1 {} {0.469294895713 0.657764347036 0.305827518699} H8 15 1
1 {} {0.584457103902 0.709868932665 0.506440241006} H10 16 1
8 {} {0.330253402053 0.577627581425 0.50651030007} O 17 1
1 {} {0.323168773926 0.7843476592 0.501581877756} 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