iterations/neb0_image02_iter160.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 {} {0.464043515759 0.250661402372 0.489105569561} O1 1 1
14 {} {0.328490641817 0.239445957151 0.580653780302} Si1 2 1
14 {} {0.586214340911 0.342339823978 0.430426168812} Si2 3 1
8 {} {0.528958112571 0.484160097858 0.370755209217} O2 4 1
8 {} {0.319783069551 0.36302826589 0.688539755413} O3 5 1
14 {} {0.252896073069 0.509429495411 0.72417796728} Si3 6 1
14 {} {0.548754101407 0.647635863442 0.363856414606} Si4 7 1
1 {} {0.336073232737 0.111754137225 0.656101109399} H1 8 1
1 {} {0.211170511626 0.242654665254 0.490007134415} H2 9 1
1 {} {0.649377739626 0.266734087272 0.319588306491} H3 10 1
1 {} {0.684636569292 0.371459774042 0.538586662076} H4 11 1
1 {} {0.106397168583 0.491873183426 0.741182596209} H5 12 1
1 {} {0.320233083902 0.55758885056 0.848252202877} H6 13 1
1 {} {0.419955367355 0.709640120371 0.324081047848} H7 14 1
1 {} {0.655887751336 0.682841096429 0.265433663122} H8 15 1
1 {} {0.588589444534 0.701476558742 0.49799873491} H10 16 1
8 {} {0.267804523276 0.617188596084 0.601229871719} O 17 1
1 {} {0.340820838107 0.682605956871 0.601081948394} 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