iterations/neb0_image04_iter95.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 {} {0.467411318191 0.233343138715 0.488688260644} O1 1 1
14 {} {0.329287148733 0.228868263535 0.577526571499} Si1 2 1
14 {} {0.583480632107 0.339790065654 0.440172849116} Si2 3 1
8 {} {0.517190194057 0.484840624105 0.402955952137} O2 4 1
8 {} {0.322868822962 0.357369661864 0.680745131766} O3 5 1
14 {} {0.279113132611 0.513983053983 0.700780148954} Si3 6 1
14 {} {0.526605752338 0.650389799278 0.401411918782} Si4 7 1
1 {} {0.329281230589 0.104190531774 0.658832565935} H1 8 1
1 {} {0.212801923154 0.233598350127 0.485244727635} H2 9 1
1 {} {0.646652865388 0.283191610237 0.318239053518} H3 10 1
1 {} {0.682712317102 0.350466284117 0.55125583202} H4 11 1
1 {} {0.130864568905 0.531770832347 0.693974758574} H5 12 1
1 {} {0.341097463555 0.560585007458 0.827437784703} H6 13 1
1 {} {0.40268824643 0.733175112449 0.393178908457} H7 14 1
1 {} {0.593244703622 0.681968023261 0.271067203989} H8 15 1
1 {} {0.604951776148 0.699488534421 0.5188047685} H10 16 1
8 {} {0.342848214868 0.603940712066 0.578322683608} O 17 1
1 {} {0.296985792829 0.681558340985 0.54241886348} 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