iterations/neb0_image06_iter158.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.472830275367 0.231610380736 0.483527764036} O1 1 1
14 {} {0.331581418818 0.222076408097 0.568608959798} Si1 2 1
14 {} {0.609187760164 0.316270872977 0.451159592419} Si2 3 1
8 {} {0.570027006701 0.472825696533 0.441767049404} O2 4 1
8 {} {0.304929460119 0.354692825095 0.662275953482} O3 5 1
14 {} {0.282451543994 0.517414178118 0.658955637964} Si3 6 1
14 {} {0.485528114109 0.61194647561 0.446393753741} Si4 7 1
1 {} {0.335985384397 0.105670145951 0.661318567724} H1 8 1
1 {} {0.225180698262 0.210008474616 0.465643205375} H2 9 1
1 {} {0.663146061802 0.280645698788 0.316305872739} H3 10 1
1 {} {0.707635294043 0.299254080384 0.563948571883} H4 11 1
1 {} {0.140354769741 0.539366488273 0.699563102737} H5 12 1
1 {} {0.372943716036 0.585496656242 0.75370239192} H6 13 1
1 {} {0.394993837806 0.818269835562 0.511789003677} H7 14 1
1 {} {0.471840991472 0.657193049759 0.304391728675} H8 15 1
1 {} {0.579157904756 0.70026824618 0.520517158824} H10 16 1
8 {} {0.331992103794 0.572424077137 0.509928298282} O 17 1
1 {} {0.330319603352 0.777084241697 0.511261410272} 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