iterations/neb0_image07_iter4.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.471481226958 0.223431963734 0.489381533773} O1 1 1
14 {} {0.333434089023 0.226605658126 0.581101794074} Si1 2 1
14 {} {0.603664658925 0.303042963387 0.442315397565} Si2 3 1
8 {} {0.563848837686 0.457544270456 0.388460424751} O2 4 1
8 {} {0.32915531955 0.355852461757 0.669940616594} O3 5 1
14 {} {0.283225034206 0.51626919915 0.690798186917} Si3 6 1
14 {} {0.51250434216 0.603002346051 0.431450619196} Si4 7 1
1 {} {0.336545851467 0.11140026961 0.673655370766} H1 8 1
1 {} {0.217208270808 0.221013353443 0.488887656581} H2 9 1
1 {} {0.662622611607 0.23185745043 0.327066872837} H3 10 1
1 {} {0.698914082323 0.31698050545 0.554891983404} H4 11 1
1 {} {0.137077729076 0.519690145166 0.685002863826} H5 12 1
1 {} {0.344767103493 0.561070503135 0.815156703561} H6 13 1
1 {} {0.33668894629 0.840618779397 0.395731357527} H7 14 1
1 {} {0.524955840784 0.685570061219 0.302091283305} H8 15 1
1 {} {0.595730821738 0.67169924815 0.52538718962} H10 16 1
8 {} {0.343881908514 0.606714293914 0.56005118391} O 17 1
1 {} {0.314379467733 0.820154487374 0.509686964616} 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
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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