iterations/neb0_image06_iter163.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@end
@data
8 {} {0.472339772056 0.229168099249 0.48506705343} O1 1 1
14 {} {0.33146392651 0.222919999421 0.56813206545} Si1 2 1
14 {} {0.609201614592 0.31609910009 0.451819920868} Si2 3 1
8 {} {0.568036478406 0.47245479691 0.443727641104} O2 4 1
8 {} {0.30518567062 0.354896718321 0.661432157958} O3 5 1
14 {} {0.283658049008 0.517585762795 0.657910918075} Si3 6 1
14 {} {0.486232218369 0.611652604521 0.445156198644} Si4 7 1
1 {} {0.33711748906 0.106237492284 0.66027813543} H1 8 1
1 {} {0.225113834197 0.208361204895 0.465395367679} H2 9 1
1 {} {0.663252769243 0.280750882657 0.316393384683} H3 10 1
1 {} {0.708048520435 0.297808956347 0.563695153471} H4 11 1
1 {} {0.141546118882 0.54025342131 0.698808344566} H5 12 1
1 {} {0.373449201931 0.584353339294 0.756244205157} H6 13 1
1 {} {0.394082052615 0.81811636717 0.512482018363} H7 14 1
1 {} {0.471100705203 0.657596227114 0.304346852096} H8 15 1
1 {} {0.579372474854 0.701935731584 0.520734550702} H10 16 1
8 {} {0.332144267959 0.574109254484 0.509006652113} O 17 1
1 {} {0.328740778121 0.778217871692 0.510427411738} 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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end