iterations/neb0_image04_iter254.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 {} {0.466726794085 0.26254203026 0.492280589191} O1 1 1
14 {} {0.325174404052 0.230012453284 0.568364752553} Si1 2 1
14 {} {0.598647769823 0.348725858289 0.447743916622} Si2 3 1
8 {} {0.556883088258 0.505399006068 0.427982696613} O2 4 1
8 {} {0.28328505202 0.347102656995 0.674163586803} O3 5 1
14 {} {0.240516577126 0.503299098013 0.700214541687} Si3 6 1
14 {} {0.582456717289 0.666060755974 0.400358598146} Si4 7 1
1 {} {0.343963500882 0.105217014187 0.647061786835} H1 8 1
1 {} {0.217904762023 0.214128050367 0.465721671609} H2 9 1
1 {} {0.647892384005 0.29189007996 0.318012160661} H3 10 1
1 {} {0.701490137291 0.338936506824 0.556731439839} H4 11 1
1 {} {0.107025621645 0.507927897787 0.764513965325} H5 12 1
1 {} {0.343143943062 0.562837066992 0.790088582989} H6 13 1
1 {} {0.459042410235 0.7393840241 0.438843007347} H7 14 1
1 {} {0.614649402609 0.688898276628 0.25618944432} H8 15 1
1 {} {0.696467343577 0.71664594988 0.482810119311} H10 16 1
8 {} {0.235439397707 0.57907922737 0.551872607315} O 17 1
1 {} {0.189376644103 0.66443185594 0.548104800445} 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