# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Ackland-G-J-Mendelev-M-I-Srolovitz-D-J-et-al--Fe-P # implementation = EAM_Dynamo_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_005 # composition = Fe2P # 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 2024-11-27 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 2.984519170e+03 1.16 2.342939031e+03 1.18 1.847975079e+03 1.20 1.464335636e+03 1.22 1.165466173e+03 1.24 9.316096542e+02 1.26 7.479363738e+02 1.28 6.031742111e+02 1.30 4.887562684e+02 1.32 3.980626079e+02 1.34 3.259437571e+02 1.36 2.683860618e+02 1.38 2.222556980e+02 1.40 1.851050037e+02 1.42 1.550239272e+02 1.44 1.305282020e+02 1.46 1.104582284e+02 1.48 9.390280123e+01 1.50 8.016298356e+01 1.52 6.870765415e+01 1.54 5.911867433e+01 1.56 5.105998780e+01 1.58 4.425205204e+01 1.60 3.846259303e+01 1.62 3.350184148e+01 1.64 2.921483178e+01 1.66 2.547611800e+01 1.68 2.218536033e+01 1.70 1.926317576e+01 1.72 1.664843553e+01 1.74 1.429642984e+01 1.76 1.217612809e+01 1.78 1.026415534e+01 1.80 8.532112642e+00 1.82 6.963177856e+00 1.84 5.548358815e+00 1.86 4.280350063e+00 1.88 3.151293670e+00 1.90 2.153108363e+00 1.92 1.277419570e+00 1.94 5.131350644e-01 1.96 -1.524726365e-01 1.98 -7.323227538e-01 2.00 -1.239166193e+00 2.02 -1.665121079e+00 2.04 -2.006673300e+00 2.06 -2.278634478e+00 2.08 -2.492409857e+00 2.10 -2.657064015e+00 2.12 -2.780775054e+00 2.14 -2.871715351e+00 2.16 -2.937094243e+00 2.18 -2.982921351e+00 2.20 -3.014272516e+00 2.22 -3.035312126e+00 2.24 -3.049296578e+00 2.26 -3.058564745e+00 2.28 -3.064411566e+00 2.30 -3.067579347e+00 2.32 -3.068453585e+00 2.34 -3.066903152e+00 2.36 -3.062414543e+00 2.38 -3.054289447e+00 2.40 -3.041702046e+00 2.42 -3.023814194e+00 2.44 -3.000009487e+00 2.46 -2.969801865e+00 2.48 -2.932902823e+00 2.50 -2.889308385e+00 2.52 -2.839323662e+00 2.54 -2.783558087e+00 2.56 -2.722890385e+00 2.58 -2.658401690e+00 2.60 -2.591228581e+00 2.62 -2.522513454e+00 2.64 -2.453499623e+00 2.66 -2.385223965e+00 2.68 -2.318363411e+00 2.70 -2.253160818e+00 2.72 -2.189417451e+00 2.74 -2.126590779e+00 2.76 -2.064040641e+00 2.78 -2.001468688e+00 2.80 -1.939193651e+00 2.82 -1.877701873e+00 2.84 -1.817476822e+00 2.86 -1.758994703e+00 2.88 -1.702633534e+00 2.90 -1.648511639e+00 2.92 -1.596717839e+00 2.94 -1.547330116e+00 2.96 -1.500407794e+00 2.98 -1.455990099e+00 3.00 -1.414095123e+00 3.02 -1.374719020e+00 3.04 -1.337835619e+00 3.06 -1.303396254e+00 3.08 -1.271329981e+00 3.10 -1.241544013e+00 3.12 -1.213924455e+00 3.14 -1.188337331e+00 3.16 -1.164629739e+00 3.18 -1.142631309e+00 3.20 -1.122155795e+00 3.22 -1.103014908e+00 3.24 -1.085102284e+00 3.26 -1.068345428e+00 3.28 -1.052663837e+00 3.30 -1.037967566e+00 3.32 -1.024157652e+00 3.34 -1.011127837e+00 3.36 -9.987662990e-01 3.38 -9.869572887e-01 3.40 -9.755825460e-01 3.42 -9.645228479e-01 3.44 -9.536589563e-01 3.46 -9.428728698e-01 3.48 -9.320484887e-01 3.50 -9.210720709e-01 3.52 -9.098324994e-01 3.54 -8.982211795e-01 3.56 -8.861313882e-01 3.58 -8.734570931e-01 3.60 -8.600916948e-01 3.62 -8.459283842e-01 3.64 -8.308492941e-01 3.66 -8.147569170e-01 3.68 -7.976073483e-01 3.70 -7.793821738e-01 3.72 -7.600735622e-01 3.74 -7.396254570e-01 3.76 -7.177364994e-01 3.78 -6.954621965e-01 3.80 -6.737677150e-01 3.82 -6.523084160e-01 3.84 -6.283663680e-01 3.86 -6.006950314e-01 3.88 -5.700702714e-01 3.90 -5.373052258e-01 3.92 -5.023056095e-01 3.94 -4.655743922e-01 3.96 -4.281171296e-01 3.98 -3.920836889e-01 4.00 -3.591200373e-01 4.02 -3.298291535e-01 4.04 -3.042222671e-01 4.06 -2.820115053e-01 4.08 -2.627864828e-01 4.10 -2.461142027e-01 4.12 -2.315826933e-01 4.14 -2.188086446e-01 4.16 -2.074326246e-01 4.18 -1.971080055e-01 4.20 -1.874900400e-01 4.22 -1.782971056e-01 4.24 -1.695143193e-01 4.26 -1.611859948e-01 4.28 -1.533465709e-01 4.30 -1.460205369e-01 4.32 -1.392226189e-01 4.34 -1.329579539e-01 4.36 -1.272225094e-01 4.38 -1.220034994e-01 4.40 -1.172800045e-01 4.42 -1.130236749e-01 4.44 -1.091995029e-01 4.46 -1.057667062e-01 4.48 -1.026796618e-01 4.50 -9.988895440e-02 4.52 -9.734239721e-02 4.54 -9.498617169e-02 4.56 -9.276587092e-02 4.58 -9.062769792e-02 4.60 -8.851951313e-02 4.62 -8.639213458e-02 4.64 -8.420034098e-02 4.66 -8.190361740e-02 4.68 -7.946699652e-02 4.70 -7.686183360e-02 4.72 -7.406642504e-02 4.74 -7.106650838e-02 4.76 -6.785562380e-02 4.78 -6.443527170e-02 4.80 -6.081493338e-02 4.82 -5.701191945e-02 4.84 -5.305094819e-02 4.86 -4.896363124e-02 4.88 -4.478767444e-02 4.90 -4.056598166e-02 4.92 -3.634548358e-02 4.94 -3.217586351e-02 4.96 -2.810812624e-02 4.98 -2.419300403e-02 5.00 -2.047932403e-02 5.02 -1.701230909e-02 5.04 -1.383183692e-02 5.06 -1.097082539e-02 5.08 -8.453650476e-03 5.10 -6.294849556e-03 5.12 -4.498022155e-03 5.14 -3.055176688e-03 5.16 -1.946509661e-03 5.18 -1.140839245e-03 5.20 -5.967918183e-04 5.22 -2.649072943e-04 5.24 -9.074332735e-05 5.26 -1.938982407e-05 5.28 -1.309960927e-06 5.30 5.176159935e-12 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