iterations/neb0_image04_iter289.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.469929107977 0.260410607923 0.491127899624} O1 1 1
14 {} {0.326499138318 0.232019792667 0.566383041893} Si1 2 1
14 {} {0.602672261421 0.346275352764 0.450606806716} Si2 3 1
8 {} {0.564874732298 0.50467671082 0.439321285398} O2 4 1
8 {} {0.280325389066 0.353821103189 0.666347031939} O3 5 1
14 {} {0.231661461873 0.507635762917 0.696846201055} Si3 6 1
14 {} {0.590283982892 0.664071820909 0.405293068819} Si4 7 1
1 {} {0.344208849733 0.110850586203 0.652453231254} H1 8 1
1 {} {0.224459222515 0.210093873923 0.457822930842} H2 9 1
1 {} {0.65115211385 0.297724208968 0.3184714656} H3 10 1
1 {} {0.705037892615 0.32695712163 0.557735903469} H4 11 1
1 {} {0.109331075038 0.500043993759 0.78107016075} H5 12 1
1 {} {0.342194947719 0.577649717144 0.768323199428} H6 13 1
1 {} {0.473336459616 0.743535526601 0.454805535568} H7 14 1
1 {} {0.604471346692 0.682844682505 0.257661600038} H8 15 1
1 {} {0.714019247844 0.711038606763 0.475518823211} H10 16 1
8 {} {0.202200217568 0.57551315052 0.549152152853} O 17 1
1 {} {0.173428476404 0.667355114002 0.542118020149} 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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14 6 0 0
16 5 0 2
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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
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5 4 1 {0 0 0} 0
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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