[settings]
style = juslin2005
comment = CITATION: Henriksson et al., J. Phys. Cond. Matter 25, 445401 (2013)

[Fe-Fe]
# From Müller et al., J. Phys. Cond. Matter 19, 326220 (2007)
gamma = 0.0115751
S = 2.0693109
beta = 1.4
D0 = 1.5
r0 = 2.29
c = 1.2898716
d = 0.3413219
h = -0.26
Rcut = 3.15
Dcut = 0.2

# From Björkas/Nordlund, NIMB 259, 853 (2007)
Z = 26
ZBLcut = 0.95
ZBLexpscale = 2.90


[C-C]
# From Brenner, PRB 42, 9458 (1990)
# in the "Albe" form provided in Juslin et al., JAP 98, 123520 (2005)
gamma = 2.0813e-4
S = 1.22
beta = 2.1
D0 = 6.0
r0 = 1.39
c = 330.0
d = 3.5
h = 1.0
Rcut = 1.85
Dcut = 0.15

# From Juslin et al., JAP 98, 123520 (2005)
Z = 6
ZBLcut = 0.6
ZBLexpscale = 8



[Cr-Cr]
gamma = 0.02388562
S = 3.36793914
beta = 1.62158721
D0 = 4.04222081
r0 = 2.13018547
c = 1.03288255
d = 0.13813230
h = -0.28569237
Rcut = 3.2
Dcut = 0.2

Z = 24
ZBLcut = 1.7
ZBLexpscale = 12


[Fe-C]
gamma = 0.07485571
S = 1.43035110
beta = 1.82109816
D0 = 3.95000634
r0 = 1.53426579
c = 1.11674155
d = 0.94663188
h = -0.18665305
Rcut = 2.6
Dcut = 0.2

# Z is taken from the Fe-Fe and C-C parameters.
Z = 0
ZBLcut = 1.0
ZBLexpscale = 10.0


[Fe-Cr]
gamma = 0.15766130
S = 2.28661503
beta = 1.75467567
D0 = 3.48049488
r0 = 2.16998952
c = 0.48531613
d = 0.31427413
h = -0.69
Rcut = 3.10
Dcut = 0.15

# Z is taken from the Fe-Fe and Cr-Cr parameters.
Z = 0
ZBLcut = 1.0
ZBLexpscale = 10.0


[C-Cr]
gamma = 0.00068830
S = 2.04637644
beta = 2.00816371
D0 = 2.77620074
r0 = 1.81289285
c = 3.93353757
d = 0.17497204
h = -0.17850001
Rcut = 2.95
Dcut = 0.1

# Z is taken from the C-C and Cr-Cr parameters.
Z = 0
ZBLcut = 1.2
ZBLexpscale = 8.0


# Three-body terms alpha and omega.
#
# Default values are alpha = 0.0 and omega = 1.0. Only values that
# differ have to be provided.

# Fe-Cr
[Fe-Cr-Cr]
alpha = 1.0
omega = 1.0

[Fe-Cr-Fe]
alpha = 1.0
omega = 1.0

[Cr-Fe-Cr]
alpha = 1.0
omega = 1.0

[Cr-Fe-Fe]
alpha = 1.0
omega = 1.0

# Cr-Cr
[Cr-Cr-Cr]
alpha = 1.39662066
omega = 1.0

# C-Cr
[Cr-Cr-C]
alpha = 0.86406436
omega = 1.64028776

[Cr-C-Cr]
alpha = -1.75204483
omega = 0.29399963

[C-Cr-Cr]
alpha = 0.61221589
omega = 0.41905079