iterations/neb0_image01_iter88.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467671338081 0.241901564021 0.473266031324} O1 1 1
14 {} {0.328256221298 0.249306321678 0.559936225074} Si1 2 1
14 {} {0.598302487024 0.331792894032 0.430161611834} Si2 3 1
8 {} {0.551707231229 0.475462063104 0.366824094924} O2 4 1
8 {} {0.3315378889 0.379866621917 0.659272572635} O3 5 1
14 {} {0.263054097121 0.515113217254 0.723224856574} Si3 6 1
14 {} {0.530910311122 0.63838607723 0.373237834458} Si4 7 1
1 {} {0.319818476198 0.126023706294 0.642772698673} H1 8 1
1 {} {0.21336709008 0.259614287204 0.465629045235} H2 9 1
1 {} {0.671277852521 0.256484501245 0.325143224262} H3 10 1
1 {} {0.682516327967 0.356316645487 0.550576950483} H4 11 1
1 {} {0.118900833296 0.489135225486 0.74727439276} H5 12 1
1 {} {0.339323761755 0.546866918001 0.846864627972} H6 13 1
1 {} {0.38872217765 0.670601212117 0.343951304938} H7 14 1
1 {} {0.620443088678 0.703362530489 0.273503994892} H8 15 1
1 {} {0.565414829438 0.690161453993 0.509833892893} H10 16 1
8 {} {0.268972825236 0.64449989946 0.620225950291} O 17 1
1 {} {0.34988930516 0.697622798853 0.619358686882} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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