# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = AlNi2 # 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 2025-07-01 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 2.626087843e+02 0.98 2.410195521e+02 1.00 2.217252322e+02 1.02 2.040416033e+02 1.04 1.875224173e+02 1.06 1.727808836e+02 1.08 1.592816277e+02 1.10 1.468943975e+02 1.12 1.352925867e+02 1.14 1.245211693e+02 1.16 1.148072054e+02 1.18 1.058133089e+02 1.20 9.781896807e+01 1.22 9.017622648e+01 1.24 8.300549927e+01 1.26 7.653638246e+01 1.28 7.055951219e+01 1.30 6.509130152e+01 1.32 5.986101138e+01 1.34 5.523085611e+01 1.36 5.074924141e+01 1.38 4.663893607e+01 1.40 4.281004816e+01 1.42 3.927042099e+01 1.44 3.626034110e+01 1.46 3.346077677e+01 1.48 3.060813672e+01 1.50 2.796940920e+01 1.52 2.558373114e+01 1.54 2.350236067e+01 1.56 2.138827990e+01 1.58 1.947421104e+01 1.60 1.766016356e+01 1.62 1.598159545e+01 1.64 1.442841421e+01 1.66 1.304486031e+01 1.68 1.180066738e+01 1.70 1.055786128e+01 1.72 9.408669707e+00 1.74 8.467306450e+00 1.76 7.474956132e+00 1.78 6.558209095e+00 1.80 5.711616110e+00 1.82 5.001994617e+00 1.84 4.274527296e+00 1.86 3.786655084e+00 1.88 3.153575826e+00 1.90 2.570624754e+00 1.92 2.034225443e+00 1.94 1.602906865e+00 1.96 1.145094625e+00 1.98 7.249592845e-01 2.00 3.398211928e-01 2.02 -1.280827681e-02 2.04 -3.352411450e-01 2.06 -6.296260672e-01 2.08 -8.979605019e-01 2.10 -1.060232419e+00 2.12 -1.242901393e+00 2.14 -1.452462802e+00 2.16 -1.642034260e+00 2.18 -1.813052891e+00 2.20 -1.966856737e+00 2.22 -2.104691809e+00 2.24 -2.103976273e+00 2.26 -2.221650073e+00 2.28 -2.326037532e+00 2.30 -2.418115046e+00 2.32 -2.498792549e+00 2.34 -2.568918095e+00 2.36 -2.629282112e+00 2.38 -2.680621345e+00 2.40 -2.723622522e+00 2.42 -2.758925749e+00 2.44 -2.729281881e+00 2.46 -2.754849033e+00 2.48 -2.774125960e+00 2.50 -2.787613333e+00 2.52 -2.703039807e+00 2.54 -2.711975642e+00 2.56 -2.716085523e+00 2.58 -2.715767393e+00 2.60 -2.711392136e+00 2.62 -2.703305353e+00 2.64 -2.691829022e+00 2.66 -2.677263041e+00 2.68 -2.659886674e+00 2.70 -2.639959895e+00 2.72 -2.617724653e+00 2.74 -2.562165562e+00 2.76 -2.537710140e+00 2.78 -2.511478806e+00 2.80 -2.483657728e+00 2.82 -2.454419915e+00 2.84 -2.423926073e+00 2.86 -2.392325404e+00 2.88 -2.359756348e+00 2.90 -2.326347288e+00 2.92 -2.292217201e+00 2.94 -2.257476270e+00 2.96 -2.222226457e+00 2.98 -2.186562041e+00 3.00 -2.150570122e+00 3.02 -2.114331084e+00 3.04 -2.077919045e+00 3.06 -2.041402263e+00 3.08 -2.004843524e+00 3.10 -1.968300504e+00 3.12 -1.931826108e+00 3.14 -1.895468789e+00 3.16 -1.840505206e+00 3.18 -1.805501561e+00 3.20 -1.770684427e+00 3.22 -1.736089950e+00 3.24 -1.701750995e+00 3.26 -1.667697366e+00 3.28 -1.633956013e+00 3.30 -1.505125870e+00 3.32 -1.476542456e+00 3.34 -1.448129741e+00 3.36 -1.419914566e+00 3.38 -1.391921351e+00 3.40 -1.364172262e+00 3.42 -1.336687356e+00 3.44 -1.309484721e+00 3.46 -1.282580604e+00 3.48 -1.255989542e+00 3.50 -1.229724469e+00 3.52 -1.203796831e+00 3.54 -1.178216688e+00 3.56 -1.152992806e+00 3.58 -1.128132750e+00 3.60 -1.103642970e+00 3.62 -1.079528878e+00 3.64 -1.055794924e+00 3.66 -1.032444665e+00 3.68 -1.009480835e+00 3.70 -9.869053990e-01 3.72 -9.647196180e-01 3.74 -9.429240995e-01 3.76 -9.215188499e-01 3.78 -9.005033215e-01 3.80 -8.798764573e-01 3.82 -8.596367333e-01 3.84 -8.397821969e-01 3.86 -7.559119507e-01 3.88 -7.393735848e-01 3.90 -7.231112531e-01 3.92 -7.071256027e-01 3.94 -6.914168614e-01 3.96 -6.759848695e-01 3.98 -6.608291096e-01 4.00 -6.459487348e-01 4.02 -6.313425949e-01 4.04 -6.170092609e-01 4.06 -6.029470487e-01 4.08 -5.891540403e-01 4.10 -5.756281044e-01 4.12 -5.623669157e-01 4.14 -5.493679728e-01 4.16 -5.366286147e-01 4.18 -5.241460368e-01 4.20 -5.119173055e-01 4.22 -4.999393720e-01 4.24 -4.882090853e-01 4.26 -4.767232039e-01 4.28 -4.654784073e-01 4.30 -4.544713064e-01 4.32 -4.436984531e-01 4.34 -4.331563499e-01 4.36 -4.228414575e-01 4.38 -4.127502035e-01 4.40 -4.028789895e-01 4.42 -3.932241975e-01 4.44 -3.837821968e-01 4.46 -3.745493492e-01 4.48 -3.655220152e-01 4.50 -3.566965581e-01 4.52 -3.480693494e-01 4.54 -3.396367726e-01 4.56 -3.313952271e-01 4.58 -3.233411319e-01 4.60 -3.154709291e-01 4.62 -3.077810865e-01 4.64 -3.002681006e-01 4.66 -2.929284990e-01 4.68 -2.857588426e-01 4.70 -2.787557279e-01 4.72 -2.719157887e-01 4.74 -2.652356975e-01 4.76 -2.587121675e-01 4.78 -2.523419533e-01 4.80 -2.461218527e-01 4.82 -2.400487071e-01 4.84 -2.341194028e-01 4.86 -2.283308715e-01 4.88 -2.226800911e-01 4.90 -2.171640862e-01 4.92 -2.117799282e-01 4.94 -2.065247361e-01 4.96 -2.013956766e-01 4.98 -1.963899638e-01 5.00 -1.915048601e-01 5.02 -1.867376754e-01 5.04 -1.820857675e-01 5.06 -1.775465421e-01 5.08 -1.731174519e-01 5.10 -1.687959975e-01 5.12 -1.645797261e-01 5.14 -1.604662318e-01 5.16 -1.564531549e-01 5.18 -1.525381818e-01 5.20 -1.487190446e-01 5.22 -1.449935202e-01 5.24 -1.413594303e-01 5.26 -1.378146409e-01 5.28 -1.343570613e-01 5.30 -1.309846443e-01 5.32 -1.276953849e-01 5.34 -1.244873203e-01 5.36 -1.213585289e-01 5.38 -1.183071302e-01 5.40 -1.153312836e-01 5.42 -1.124291882e-01 5.44 -1.095990823e-01 5.46 -9.246790351e-02 5.48 -9.021950843e-02 5.50 -8.802445223e-02 5.52 -8.588153660e-02 5.54 -8.378958666e-02 5.56 -8.174745077e-02 5.58 -7.975400016e-02 5.60 -7.780812871e-02 5.62 -7.590875261e-02 5.64 -7.405481010e-02 5.66 -7.224526113e-02 5.68 -7.047908709e-02 5.70 -6.875529044e-02 5.72 -6.707289445e-02 5.74 -6.543094285e-02 5.76 -6.382849953e-02 5.78 -6.226464818e-02 5.80 -6.073849203e-02 5.82 -5.924915346e-02 5.84 -5.779577371e-02 5.86 -5.637751259e-02 5.88 -5.499354808e-02 5.90 -5.364307607e-02 5.92 -5.232531004e-02 5.94 -5.103948071e-02 5.96 -4.978483574e-02 5.98 -4.856063942e-02 6.00 -4.736617237e-02