./iterations/neb0_image04_iter119.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 {} {0.466369907485 0.237359760427 0.49038079695} O1 1 1
14 {} {0.327318720399 0.228149117124 0.576442595782} Si1 2 1
14 {} {0.584835233533 0.341083820034 0.441391875571} Si2 3 1
8 {} {0.523158359127 0.488188598501 0.405306066588} O2 4 1
8 {} {0.317856621259 0.354879094337 0.680530799886} O3 5 1
14 {} {0.277727627494 0.511858297594 0.701158496776} Si3 6 1
14 {} {0.531583780755 0.653172784367 0.401091988724} Si4 7 1
1 {} {0.330967661921 0.102283155835 0.654495221055} H1 8 1
1 {} {0.21005438559 0.230854144844 0.485214141917} H2 9 1
1 {} {0.644187712638 0.280535440107 0.318774581543} H3 10 1
1 {} {0.685727145667 0.353640974156 0.551494889648} H4 11 1
1 {} {0.130197484906 0.529385247165 0.696765312861} H5 12 1
1 {} {0.341196812257 0.558374541834 0.82646238552} H6 13 1
1 {} {0.407323429243 0.736385522698 0.396384859201} H7 14 1
1 {} {0.594225882658 0.684434861506 0.269133446944} H8 15 1
1 {} {0.612048870531 0.702902628657 0.517426060714} H10 16 1
8 {} {0.339502286084 0.602576166519 0.576597231069} O 17 1
1 {} {0.285804151879 0.676453767688 0.542007248814} 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