iterations/neb0_image09_iter105.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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	WyckoffPosition	int	-1
@end
@data
8 {} {0.471887519229 0.214199086752 0.494541864357} O1 1 1
14 {} {0.335416566605 0.216098164313 0.585763425479} Si1 2 1
14 {} {0.603238742823 0.299467033797 0.444805132923} Si2 3 1
8 {} {0.561558134379 0.452213485517 0.400985868911} O2 4 1
8 {} {0.32756355854 0.353584015004 0.676181075358} O3 5 1
14 {} {0.29679047456 0.515081019522 0.670272881288} Si3 6 1
14 {} {0.507179977239 0.59894030466 0.451052556481} Si4 7 1
1 {} {0.339237601386 0.101427125799 0.67986256561} H1 8 1
1 {} {0.218167007873 0.210221567479 0.494225328493} H2 9 1
1 {} {0.659024354048 0.232131536604 0.325028083052} H3 10 1
1 {} {0.702028141111 0.306529374713 0.556213891387} H4 11 1
1 {} {0.150377259193 0.538155864778 0.656863922623} H5 12 1
1 {} {0.351416815713 0.575139541184 0.794961323479} H6 13 1
1 {} {0.322956750183 0.881176912646 0.414955376641} H7 14 1
1 {} {0.476664940631 0.678625391511 0.329681509621} H8 15 1
1 {} {0.611776725428 0.663836009945 0.534814162683} H10 16 1
8 {} {0.369546219676 0.583307151732 0.539503339849} O 17 1
1 {} {0.305255379911 0.852384386359 0.481345654392} 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
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2 0 0 0
14 6 0 0
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15 6 0 0
16 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
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5 15 6 {0 0 0} 0
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7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end