iterations/neb0_image04_iter140.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 {} {0.465583163026 0.243259058229 0.48720852491} O1 1 1
14 {} {0.326242307981 0.228137744171 0.574572649036} Si1 2 1
14 {} {0.586453632184 0.345554381119 0.440844719248} Si2 3 1
8 {} {0.529159853932 0.494324161142 0.411064533856} O2 4 1
8 {} {0.310420043553 0.351738465023 0.680773929924} O3 5 1
14 {} {0.270166828605 0.509262736249 0.702997473032} Si3 6 1
14 {} {0.541568007843 0.658319778786 0.401629213244} Si4 7 1
1 {} {0.332729298075 0.102148527097 0.654288242313} H1 8 1
1 {} {0.210503924657 0.226219648475 0.480260056192} H2 9 1
1 {} {0.645127530702 0.281357782792 0.319116114679} H3 10 1
1 {} {0.688553672214 0.353657966275 0.550036765552} H4 11 1
1 {} {0.122608187014 0.525671551534 0.711570176361} H5 12 1
1 {} {0.341110096009 0.555991757182 0.824491842086} H6 13 1
1 {} {0.413965512497 0.734667724738 0.402494672914} H7 14 1
1 {} {0.598260152782 0.687348841513 0.269646702996} H8 15 1
1 {} {0.630554084574 0.706491194468 0.510251593905} H10 16 1
8 {} {0.325319359195 0.598164923404 0.573437309743} O 17 1
1 {} {0.27176039988 0.670201656035 0.536373498031} 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
1 0 2 {0 0 0} 0
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