FeC BOP parameterisation file

Darn, the attached text file doesn't seem to have survived posting here. So here is the content of it in the body of the email

--------------------------------------------------------------------------------------------------------(snip here)
# This is a Tersoff bond order potential file for lammps. Leaving the second line uncommented for the mixed element interactions means using the FeC parameterisation that is part of the FeCrC
# parameterisation in J. Phys.: Condens. Matter 25 (2013) 445401. Commenting the second lines for each mixed element interaction and uncommenting the first lines means using the
# parameterisation in Phys. Rev. B 79 (2009) 144107.

# m gamma lamda3 c d cos(theta0) n beta lamda2 B R D lamda1 A
                                  
C C C 1 2.08E-004 0 330 3.5 -1 1 1 2.6887744786 1397.0729624477 1.85 0.15 3.2803048639 2605.8415729607

Fe Fe Fe 1 0.0115751 0 1.2898716 0.3413219 0.26 1 1 1.3763540363 67.8647722799 3.15 0.2 2.8481044096 953.9485925552
                                
#Fe Fe C 1 0.00205862 0 8.95583221 0.72062047 -0.87099874 0 0 0 0 2.5 0.2 0 0
Fe Fe C 1 0.07485571 0 1.11674155 0.94663188 0.18665305 0 0 0 0 2.6 0.2 0 0

#Fe C C 1 0.00205862 0 8.95583221 0.72062047 -0.87099874 1 1 1.9292314964 276.9254245774 2.5 0.2 2.7614007758 661.5263073601
Fe C C 1 0.07485571 0 1.11674155 0.94663188 0.18665305 1 1 2.1534114913 357.3431759571 2.6 0.2 3.0801344953 1035.475541423

#C Fe Fe 1 0.00205862 0 8.95583221 0.72062047 -0.87099874 1 1 1.9292314964 276.9254245774 2.5 0.2 2.7614007758 661.5263073601
C Fe Fe 1 0.07485571 0 1.11674155 0.94663188 0.18665305 1 1 2.1534114913 357.3431759571 2.6 0.2 3.0801344953 1035.475541423
                                  
#C Fe C 1 2.08E-004 0 330 3.5 -1 0 0 0 0 1.85 0.15 0 0
C Fe C 1 2.08E-004 0 330 3.5 -1 0 0 0 0 1.85 0.15 0 0

#C C Fe 1 0.00205862 0 8.95583221 0.72062047 -0.87099874 0 0 0 0 2.5 0.2 0 0
C C Fe 1 0.07485571 0 1.11674155 0.94663188 0.18665305 0 0 0 0 2.6 0.2 0 0

#Fe C Fe 1 0.0115751 0 1.2898716 0.3413219 0.26 0 0 0 0 3.15 0.2 0 0
Fe C Fe 1 0.0115751 0 1.2898716 0.3413219 0.26 0 0 0 0 3.15 0.2 0 0
--------------------------------------------------------------------------------------------------------(snip here)

FeC.tersoff (2.14 KB)