iterations/neb0_image08_iter74.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.47173706942 0.217920691257 0.48893207887} O1 1 1
14 {} {0.334046734971 0.221039934604 0.578049654246} Si1 2 1
14 {} {0.602072376721 0.30706633477 0.443933219818} Si2 3 1
8 {} {0.556655116596 0.458720857628 0.401548005297} O2 4 1
8 {} {0.330468636273 0.353905470718 0.675231021379} O3 5 1
14 {} {0.29862283838 0.51528225958 0.674538187624} Si3 6 1
14 {} {0.503699956727 0.604914753411 0.453889535485} Si4 7 1
1 {} {0.330653043518 0.101288272832 0.664940085423} H1 8 1
1 {} {0.218344159736 0.225384627983 0.485376720784} H2 9 1
1 {} {0.663079810138 0.244231117654 0.324386681424} H3 10 1
1 {} {0.696221952649 0.316078734456 0.558816025748} H4 11 1
1 {} {0.151753187929 0.537728533269 0.665065897069} H5 12 1
1 {} {0.355971510144 0.572867535563 0.799556208664} H6 13 1
1 {} {0.333148765443 0.839128266429 0.415727723794} H7 14 1
1 {} {0.472757396702 0.683920406067 0.332569259093} H8 15 1
1 {} {0.606953444682 0.67028262648 0.539303869657} H10 16 1
8 {} {0.367137604918 0.585902575822 0.543597440419} O 17 1
1 {} {0.316762517449 0.816854978355 0.485596365294} 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