# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2001--Lee-B-J-Baskes-M-I-Kim-H-Cho-Y-K--Fe # implementation = 2001--Lee-B-J--Fe--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Fe Fe 0.02 1.093458969e+03 0.04 1.028796904e+03 0.06 9.682423752e+02 0.08 9.114399492e+02 0.10 8.580843708e+02 0.12 8.079109096e+02 0.14 7.606877392e+02 0.16 7.162099151e+02 0.18 6.742946142e+02 0.20 6.347773648e+02 0.22 5.975090557e+02 0.24 5.623535579e+02 0.26 5.291858267e+02 0.28 4.978903806e+02 0.30 4.683600773e+02 0.32 4.404951207e+02 0.34 4.142022511e+02 0.36 3.893940788e+02 0.38 3.659885301e+02 0.40 3.439083829e+02 0.42 3.230808721e+02 0.44 3.034373514e+02 0.46 2.849129996e+02 0.48 2.674465627e+02 0.50 2.509801247e+02 0.52 2.354589026e+02 0.54 2.208310605e+02 0.56 2.070475400e+02 0.58 1.940619039e+02 0.60 1.818301926e+02 0.62 1.703107893e+02 0.64 1.594642947e+02 0.66 1.492534100e+02 0.68 1.396428254e+02 0.70 1.305991169e+02 0.72 1.220906472e+02 0.74 1.140874730e+02 0.76 1.065612569e+02 0.78 9.948518391e+01 0.80 9.283388212e+01 0.82 8.658334795e+01 0.84 8.071087479e+01 0.86 7.519498540e+01 0.88 7.001536776e+01 0.90 6.515281419e+01 0.92 6.058916351e+01 0.94 5.630724618e+01 0.96 5.229083218e+01 0.98 4.852458157e+01 1.00 4.499399753e+01 1.02 4.168538186e+01 1.04 3.858579268e+01 1.06 3.568300429e+01 1.08 3.296546918e+01 1.10 3.042228187e+01 1.12 2.804314467e+01 1.14 2.581833519e+01 1.16 2.373867555e+01 1.18 2.179550313e+01 1.20 1.998064291e+01 1.22 1.828638111e+01 1.24 1.670544039e+01 1.26 1.523095615e+01 1.28 1.385645421e+01 1.30 1.257582957e+01 1.32 1.138332633e+01 1.34 1.027351860e+01 1.36 9.241292499e+00 1.38 8.281829043e+00 1.40 7.390587934e+00 1.42 6.563292230e+00 1.44 5.795913815e+00 1.46 5.084659633e+00 1.48 4.425958664e+00 1.50 3.816449581e+00 1.52 3.252969081e+00 1.54 2.732540820e+00 1.56 2.252364955e+00 1.58 1.809808243e+00 1.60 1.402394668e+00 1.62 1.027796577e+00 1.64 6.838262939e-01 1.66 3.684281876e-01 1.68 7.967116729e-02 1.70 -1.842584108e-01 1.72 -4.250634520e-01 1.74 -6.443424648e-01 1.76 -8.435955552e-01 1.78 -1.024230092e+00 1.80 -1.187566060e+00 1.82 -1.334841116e+00 1.84 -1.467215371e+00 1.86 -1.585775893e+00 1.88 -1.691540977e+00 1.90 -1.785464161e+00 1.92 -1.868438020e+00 1.94 -1.941297753e+00 1.96 -2.004824559e+00 1.98 -2.059748820e+00 2.00 -2.106753111e+00 2.02 -2.146475023e+00 2.04 -2.179509839e+00 2.06 -2.206413038e+00 2.08 -2.227702661e+00 2.10 -2.243861538e+00 2.12 -2.255339376e+00 2.14 -2.262554726e+00 2.16 -2.265896828e+00 2.18 -2.265727344e+00 2.20 -2.262381982e+00 2.22 -2.256172022e+00 2.24 -2.247385734e+00 2.26 -2.236289719e+00 2.28 -2.223130152e+00 2.30 -2.208133946e+00 2.32 -2.191509839e+00 2.34 -2.173449408e+00 2.36 -2.154128015e+00 2.38 -2.133705685e+00 2.40 -2.112327935e+00 2.42 -2.090126539e+00 2.44 -2.067220254e+00 2.46 -2.043715496e+00 2.48 -2.019706990e+00 2.50 -1.995278380e+00 2.52 -1.970502830e+00 2.54 -1.945443598e+00 2.56 -1.920154617e+00 2.58 -1.894681067e+00 2.60 -1.869059969e+00 2.62 -1.843320796e+00 2.64 -1.817486102e+00 2.66 -1.791572206e+00 2.68 -1.765589897e+00 2.70 -1.739545194e+00 2.72 -1.713440151e+00 2.74 -1.687273700e+00 2.76 -1.661042530e+00 2.78 -1.634741998e+00 2.80 -1.608367038e+00 2.82 -1.581913072e+00 2.84 -1.555376873e+00 2.86 -1.528757376e+00 2.88 -1.502056394e+00 2.90 -1.475279210e+00 2.92 -1.448435033e+00 2.94 -1.421537276e+00 2.96 -1.394603656e+00 2.98 -1.367656104e+00 3.00 -1.340720481e+00 3.02 -1.313826135e+00 3.04 -1.287005290e+00 3.06 -1.260292329e+00 3.08 -1.233722991e+00 3.10 -1.207333529e+00 3.12 -1.181159871e+00 3.14 -1.155236824e+00 3.16 -1.129597366e+00 3.18 -1.104272030e+00 3.20 -1.079288431e+00 3.22 -1.054670926e+00 3.24 -1.030440414e+00 3.26 -1.006614275e+00 3.28 -9.832064244e-01 3.30 -9.602274778e-01 3.32 -9.376849901e-01 3.34 -9.155837551e-01 3.36 -8.939261376e-01 3.38 -8.727124190e-01 3.40 -8.519411361e-01 3.42 -8.316094004e-01 3.44 -8.117131863e-01 3.46 -7.922475831e-01 3.48 -7.732070070e-01 3.50 -7.545853759e-01 3.52 -7.345165938e-01 3.54 -6.896355235e-01 3.56 -5.616939186e-01 3.58 -2.899855806e-01 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00