Symbols

Ti

N

TiN

rc (A˚)

4.8

4.6

4.6

delr

0.1

0.1

0.1

augt1

0

1

0

erose_form

2

0

2

ialloy

2

2

2

zbl(1, 1)

0

1

0

nn2(1, 1)

1

0

1

rho0(1)

1.00

1.00

18

Ec(1, 1)

4.870

4.88

6.615

re(1, 1)

2.920

1.10

2.121

alpha(1, 1)

4.719

4.330

5.092

repuls(1, 1)

0.00

0.00

0.00

attrac(1, 1)

0.00

0.00

0.00

Cmin(1, 1, 1)

1.00

2.00

0.16

Cmax(1, 1, 1)

1.44

2.80

2.80