iterations/neb0_image08_iter210.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471529032906 0.22628653655 0.493246304445} O1 1 1
14 {} {0.330286626603 0.219202068109 0.576598516533} Si1 2 1
14 {} {0.613489606398 0.297732270361 0.450875362543} Si2 3 1
8 {} {0.592871437431 0.456976775719 0.415511293253} O2 4 1
8 {} {0.313095439575 0.348600613712 0.677597768293} O3 5 1
14 {} {0.300085122892 0.512775201134 0.670952553315} Si3 6 1
14 {} {0.512338431816 0.59665605202 0.44900984792} Si4 7 1
1 {} {0.331496627295 0.0964915465474 0.660624805412} H1 8 1
1 {} {0.218629710721 0.218202562814 0.477476792448} H2 9 1
1 {} {0.663515225944 0.230358911445 0.328077491279} H3 10 1
1 {} {0.70962358877 0.286648006117 0.564404442967} H4 11 1
1 {} {0.157106802274 0.552395901273 0.659850595459} H5 12 1
1 {} {0.365509473073 0.56851175815 0.792523479788} H6 13 1
1 {} {0.311327608198 0.904912873487 0.474317211146} H7 14 1
1 {} {0.470862603874 0.656564204404 0.318659315782} H8 15 1
1 {} {0.602190284507 0.686529504268 0.528132106265} H10 16 1
8 {} {0.375540957944 0.569230227574 0.535811373001} O 17 1
1 {} {0.270587682987 0.844442847368 0.457388475029} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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