# 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 = Al2Ni # 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 2.733611083e+02 0.98 2.514211114e+02 1.00 2.318519916e+02 1.02 2.140582046e+02 1.04 1.971679045e+02 1.06 1.821765409e+02 1.08 1.684417906e+02 1.10 1.557995159e+02 1.12 1.438850255e+02 1.14 1.327690723e+02 1.16 1.227236594e+02 1.18 1.134493534e+02 1.20 1.053050924e+02 1.22 9.738780708e+01 1.24 8.990788694e+01 1.26 8.322302120e+01 1.28 7.695211468e+01 1.30 7.126081627e+01 1.32 6.575304688e+01 1.34 6.101336144e+01 1.36 5.626096240e+01 1.38 5.190084459e+01 1.40 4.782196789e+01 1.42 4.404253348e+01 1.44 4.080238215e+01 1.46 3.786651125e+01 1.48 3.479503171e+01 1.50 3.194658009e+01 1.52 2.944265549e+01 1.54 2.716203075e+01 1.56 2.485723951e+01 1.58 2.277455680e+01 1.60 2.078477380e+01 1.62 1.893808743e+01 1.64 1.722409759e+01 1.66 1.576711313e+01 1.68 1.436989430e+01 1.70 1.298094669e+01 1.72 1.169221677e+01 1.74 1.065798091e+01 1.76 9.535640949e+00 1.78 8.494922454e+00 1.80 7.530127800e+00 1.82 6.813736137e+00 1.84 5.971786939e+00 1.86 5.374961539e+00 1.88 4.638222680e+00 1.90 3.956679582e+00 1.92 3.326538602e+00 1.94 2.826644855e+00 1.96 2.282868456e+00 1.98 1.781095006e+00 2.00 1.318455870e+00 2.02 8.922809081e-01 2.04 5.000837973e-01 2.06 1.395485355e-01 2.08 -1.914829767e-01 2.10 -4.131528866e-01 2.12 -6.520687206e-01 2.14 -9.148678073e-01 2.16 -1.154803938e+00 2.18 -1.373444852e+00 2.20 -1.572253855e+00 2.22 -1.752597067e+00 2.24 -1.750944193e+00 2.26 -1.908743384e+00 2.28 -2.050973346e+00 2.30 -2.178717064e+00 2.32 -2.292986678e+00 2.34 -2.394728220e+00 2.36 -2.484826017e+00 2.38 -2.564106783e+00 2.40 -2.633343425e+00 2.42 -2.693258579e+00 2.44 -2.601570014e+00 2.46 -2.653030692e+00 2.48 -2.696602953e+00 2.50 -2.732864790e+00 2.52 -2.669618995e+00 2.54 -2.698506870e+00 2.56 -2.721261164e+00 2.58 -2.738344993e+00 2.60 -2.750191630e+00 2.62 -2.757206381e+00 2.64 -2.759768330e+00 2.66 -2.758231987e+00 2.68 -2.752928820e+00 2.70 -2.744168694e+00 2.72 -2.732241214e+00 2.74 -2.675828743e+00 2.76 -2.660566957e+00 2.78 -2.642780998e+00 2.80 -2.622697321e+00 2.82 -2.600527387e+00 2.84 -2.576468583e+00 2.86 -2.550705093e+00 2.88 -2.523408713e+00 2.90 -2.494739618e+00 2.92 -2.464847077e+00 2.94 -2.433870129e+00 2.96 -2.401938216e+00 2.98 -2.369171779e+00 3.00 -2.335682809e+00 3.02 -2.301575382e+00 3.04 -2.266946142e+00 3.06 -2.231884768e+00 3.08 -2.196474408e+00 3.10 -2.160792086e+00 3.12 -2.124909085e+00 3.14 -2.088891310e+00 3.16 -2.006222446e+00 3.18 -1.972197977e+00 3.20 -1.938115300e+00 3.22 -1.904025957e+00 3.24 -1.869977448e+00 3.26 -1.836013489e+00 3.28 -1.802174249e+00 3.30 -1.673071217e+00 3.32 -1.644051831e+00 3.34 -1.615051377e+00 3.36 -1.586107424e+00 3.38 -1.557254576e+00 3.40 -1.528524645e+00 3.42 -1.499946831e+00 3.44 -1.471547883e+00 3.46 -1.443352248e+00 3.48 -1.415382222e+00 3.50 -1.387658079e+00 3.52 -1.360198207e+00 3.54 -1.333019221e+00 3.56 -1.306136083e+00 3.58 -1.279562207e+00 3.60 -1.253309561e+00 3.62 -1.227388759e+00 3.64 -1.201809157e+00 3.66 -1.176578932e+00 3.68 -1.151705163e+00 3.70 -1.127193907e+00 3.72 -1.103050269e+00 3.74 -1.079278467e+00 3.76 -1.055881898e+00 3.78 -1.032863193e+00 3.80 -1.010224273e+00 3.82 -9.879664019e-01 3.84 -9.660902351e-01 3.86 -8.589894647e-01 3.88 -8.411126235e-01 3.90 -8.234947462e-01 3.92 -8.061389687e-01 3.94 -7.890478624e-01 3.96 -7.722234728e-01 3.98 -7.556673558e-01 4.00 -7.393806119e-01 4.02 -7.233639187e-01 4.04 -7.076175616e-01 4.06 -6.921414619e-01 4.08 -6.769352044e-01 4.10 -6.619980628e-01 4.12 -6.473290234e-01 4.14 -6.329268078e-01 4.16 -6.187898945e-01 4.18 -6.049165383e-01 4.20 -5.913047893e-01 4.22 -5.779525106e-01 4.24 -5.648573951e-01 4.26 -5.520169803e-01 4.28 -5.394286637e-01 4.30 -5.270897161e-01 4.32 -5.149972945e-01 4.34 -5.031484543e-01 4.36 -4.915401602e-01 4.38 -4.801692970e-01 4.40 -4.690326797e-01 4.42 -4.581270622e-01 4.44 -4.474491464e-01 4.46 -4.369955897e-01 4.48 -4.267630133e-01 4.50 -4.167480085e-01 4.52 -4.069471434e-01 4.54 -3.973569693e-01 4.56 -3.879740257e-01 4.58 -3.787948461e-01 4.60 -3.698159628e-01 4.62 -3.610339109e-01 4.64 -3.524452331e-01 4.66 -3.440464831e-01 4.68 -3.358342292e-01 4.70 -3.278050578e-01 4.72 -3.199555763e-01 4.74 -3.122824155e-01 4.76 -3.047822326e-01 4.78 -2.974517134e-01 4.80 -2.902875740e-01 4.82 -2.832865633e-01 4.84 -2.764454641e-01 4.86 -2.697610950e-01 4.88 -2.632303120e-01 4.90 -2.568500091e-01 4.92 -2.506171200e-01 4.94 -2.445286186e-01 4.96 -2.385815201e-01 4.98 -2.327728819e-01 5.00 -2.270998037e-01 5.02 -2.215594285e-01 5.04 -2.161489427e-01 5.06 -2.108655768e-01 5.08 -2.057066053e-01 5.10 -2.006693468e-01 5.12 -1.957511648e-01 5.14 -1.909494670e-01 5.16 -1.862617056e-01 5.18 -1.816853772e-01 5.20 -1.772180227e-01 5.22 -1.728572272e-01 5.24 -1.686006197e-01 5.26 -1.644458727e-01 5.28 -1.603907022e-01 5.30 -1.564328674e-01 5.32 -1.525701700e-01 5.34 -1.488004541e-01 5.36 -1.451216056e-01 5.38 -1.415315523e-01 5.40 -1.380282626e-01 5.42 -1.346097456e-01 5.44 -1.312740507e-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