# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Hepburn-D-J-Ackland-G-J--Fe-C # implementation = EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005 # composition = CFe2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 nan 1.56 nan 1.58 nan 1.60 nan 1.62 nan 1.64 nan 1.66 nan 1.68 nan 1.70 nan 1.72 nan 1.74 nan 1.76 nan 1.78 nan 1.80 -3.061448873e+00 1.82 -2.956328298e+00 1.84 -3.396944606e+00 1.86 -3.722638776e+00 1.88 -3.961396311e+00 1.90 -4.137967392e+00 1.92 -4.260802233e+00 1.94 -4.091703578e+00 1.96 -3.802973966e+00 1.98 -3.789789291e+00 2.00 -3.764611690e+00 2.02 -3.722424448e+00 2.04 -3.668208281e+00 2.06 -3.605375431e+00 2.08 -3.536938978e+00 2.10 -3.465927843e+00 2.12 -3.395412927e+00 2.14 -3.328329956e+00 2.16 -3.267567733e+00 2.18 -3.215981772e+00 2.20 -3.176629970e+00 2.22 -3.152688267e+00 2.24 -3.147334430e+00 2.26 -3.163546685e+00 2.28 -3.199660033e+00 2.30 -3.249760607e+00 2.32 -3.308014026e+00 2.34 -3.368590129e+00 2.36 -3.425682515e+00 2.38 -3.473586016e+00 2.40 -3.506634998e+00 2.42 -3.519160506e+00 2.44 -3.506902935e+00 2.46 -3.471216707e+00 2.48 -3.414835134e+00 2.50 -3.340482654e+00 2.52 -3.250873927e+00 2.54 -3.148712533e+00 2.56 -3.036689506e+00 2.58 -2.917480436e+00 2.60 -2.793699760e+00 2.62 -2.667971255e+00 2.64 -2.543140653e+00 2.66 -2.422096580e+00 2.68 -2.307729801e+00 2.70 -2.202933223e+00 2.72 -2.110600471e+00 2.74 -2.033307568e+00 2.76 -1.971121894e+00 2.78 -1.922922240e+00 2.80 -1.887580350e+00 2.82 -1.863967866e+00 2.84 -1.850956919e+00 2.86 -1.847420097e+00 2.88 -1.852142299e+00 2.90 -1.863661849e+00 2.92 -1.880503019e+00 2.94 -1.901196706e+00 2.96 -1.924274349e+00 2.98 -1.948267929e+00 3.00 -1.971709987e+00 3.02 -1.993133632e+00 3.04 -2.011072556e+00 3.06 -2.024061060e+00 3.08 -2.030634073e+00 3.10 -2.029327184e+00 3.12 -2.018676675e+00 3.14 -1.997219562e+00 3.16 -1.963494342e+00 3.18 -1.917085026e+00 3.20 -1.860605261e+00 3.22 -1.796976004e+00 3.24 -1.728897323e+00 3.26 -1.658798114e+00 3.28 -1.588560198e+00 3.30 -1.445379523e+00 3.32 -1.219505967e+00 3.34 -9.681829408e-01 3.36 -7.306079276e-01 3.38 -5.300113537e-01 3.40 -3.762536016e-01 3.42 -2.688291989e-01 3.44 -2.001359510e-01 3.46 -1.588380051e-01 3.48 -1.331222225e-01 3.50 -1.136081266e-01 3.52 -9.570887471e-02 3.54 -7.898632876e-02 3.56 -6.366395657e-02 3.58 -4.380120219e-02 3.60 -3.126645473e-02 3.62 -2.534908875e-02 3.64 -2.240116516e-02 3.66 -1.999315394e-02 3.68 -1.778356066e-02 3.70 -1.576328401e-02 3.72 -1.392322268e-02 3.74 -1.225427545e-02 3.76 -1.074734099e-02 3.78 -9.393318041e-03 3.80 -8.183105257e-03 3.82 -7.107601419e-03 3.84 -6.157705174e-03 3.86 -5.324315284e-03 3.88 -4.598330459e-03 3.90 -3.970649381e-03 3.92 -3.432170823e-03 3.94 -2.973793398e-03 3.96 -2.586415918e-03 3.98 -2.260937031e-03 4.00 -1.988255479e-03 4.02 -1.759269950e-03 4.04 -1.564879194e-03 4.06 -1.395981906e-03 4.08 -1.243640310e-03 4.10 -1.102975010e-03 4.12 -9.733378510e-04 4.14 -8.542785871e-04 4.16 -7.453470739e-04 4.18 -6.460930712e-04 4.20 -5.560664495e-04 4.22 -4.748169607e-04 4.24 -4.018944850e-04 4.26 -3.368487821e-04 4.28 -2.792296853e-04 4.30 -2.285870053e-04 4.32 -1.844705878e-04 4.34 -1.464301805e-04 4.36 -1.140156306e-04 4.38 -8.677679154e-05 4.40 -6.426341283e-05 4.42 -4.602533072e-05 4.44 -3.161237611e-05 4.46 -2.057436271e-05 4.48 -1.246104414e-05 4.50 -6.822318391e-06 4.52 -3.207954640e-06 4.54 -1.167772925e-06 4.56 -2.515687974e-07 4.58 -9.183223327e-09 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