iterations/neb0_image07_iter8.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
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@end
@data
8 {} {0.47037691021 0.224149708916 0.488319566694} O1 1 1
14 {} {0.333172143764 0.223630665109 0.577348714296} Si1 2 1
14 {} {0.603719674541 0.304379548023 0.441686089519} Si2 3 1
8 {} {0.562743124938 0.456659151283 0.387418865748} O2 4 1
8 {} {0.329658978723 0.35932871456 0.673138860535} O3 5 1
14 {} {0.285671657028 0.517438013164 0.68750552997} Si3 6 1
14 {} {0.504908151165 0.605349581682 0.437072711963} Si4 7 1
1 {} {0.335556885288 0.111280387951 0.671570639811} H1 8 1
1 {} {0.21671116821 0.223382291698 0.486728051394} H2 9 1
1 {} {0.663627323615 0.232913680779 0.326738983645} H3 10 1
1 {} {0.698522374001 0.319236855337 0.555206487217} H4 11 1
1 {} {0.133752836663 0.518387269547 0.689474278536} H5 12 1
1 {} {0.344670948262 0.559891469427 0.819852550185} H6 13 1
1 {} {0.335836083167 0.830046870566 0.409669475568} H7 14 1
1 {} {0.525997273706 0.686968828175 0.298897748354} H8 15 1
1 {} {0.596516882262 0.674181875457 0.528126023853} H10 16 1
8 {} {0.34893943634 0.609270642245 0.554978967469} O 17 1
1 {} {0.319704289852 0.816022404464 0.497324460164} 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
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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
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end