./iterations/neb0_image02_iter246.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.458704174143 0.263555777288 0.490480185319} O1 1 1
14 {} {0.326673587182 0.239474960556 0.584852394915} Si1 2 1
14 {} {0.583742195906 0.348819596852 0.42809280292} Si2 3 1
8 {} {0.531078875251 0.491867901956 0.366306119633} O2 4 1
8 {} {0.31270523888 0.355947465208 0.700121724686} O3 5 1
14 {} {0.2447798368 0.503031354557 0.731575042574} Si3 6 1
14 {} {0.560242609194 0.653597052804 0.356912037939} Si4 7 1
1 {} {0.344087434154 0.109395694433 0.655153170352} H1 8 1
1 {} {0.206123861503 0.239970217968 0.496838815413} H2 9 1
1 {} {0.642410014809 0.267704167526 0.317822053959} H3 10 1
1 {} {0.683107936104 0.377353182948 0.536162099327} H4 11 1
1 {} {0.097900908942 0.487265713125 0.747339535223} H5 12 1
1 {} {0.311783098163 0.553864766866 0.854632395922} H6 13 1
1 {} {0.43563626058 0.720946201815 0.310949810704} H7 14 1
1 {} {0.671927193204 0.6809364668 0.262276071986} H8 15 1
1 {} {0.598623322385 0.707100215904 0.491421439253} H10 16 1
8 {} {0.260387923577 0.609566081285 0.605403967647} O 17 1
1 {} {0.340171805751 0.662121280687 0.594718290051} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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