# 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 = AlMn2 # 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 2.348084202e+02 0.98 2.154942955e+02 1.00 1.982179917e+02 1.02 1.823628632e+02 1.04 1.675991118e+02 1.06 1.543905162e+02 1.08 1.423305370e+02 1.10 1.312346018e+02 1.12 1.208798573e+02 1.14 1.112688693e+02 1.16 1.025879192e+02 1.18 9.456649420e+01 1.20 8.739797933e+01 1.22 8.058886035e+01 1.24 7.420235980e+01 1.26 6.842657302e+01 1.28 6.309612623e+01 1.30 5.823001003e+01 1.32 5.357752815e+01 1.34 4.943616696e+01 1.36 4.545347062e+01 1.38 4.180105977e+01 1.40 3.839928667e+01 1.42 3.525487947e+01 1.44 3.255991126e+01 1.46 3.007446266e+01 1.48 2.754343745e+01 1.50 2.520235326e+01 1.52 2.307765166e+01 1.54 2.121746697e+01 1.56 1.934423538e+01 1.58 1.764811195e+01 1.60 1.604072223e+01 1.62 1.455331394e+01 1.64 1.317692779e+01 1.66 1.194287688e+01 1.68 1.083370435e+01 1.70 9.733311092e+00 1.72 8.715621530e+00 1.74 7.881588551e+00 1.76 7.002496043e+00 1.78 6.190141252e+00 1.80 5.439702305e+00 1.82 4.799848470e+00 1.84 4.155406441e+00 1.86 3.708590849e+00 1.88 3.148320322e+00 1.90 2.632103107e+00 1.92 2.156790311e+00 1.94 1.774122061e+00 1.96 1.367862321e+00 1.98 9.946914645e-01 2.00 6.522528421e-01 2.02 3.383582879e-01 2.04 5.097538336e-02 2.06 -2.117842377e-01 2.08 -4.516756385e-01 2.10 -6.042024495e-01 2.12 -7.716607374e-01 2.14 -9.593758153e-01 2.16 -1.129584871e+00 2.18 -1.283546349e+00 2.20 -1.422431616e+00 2.22 -1.547331180e+00 2.24 -1.549896313e+00 2.26 -1.657133522e+00 2.28 -1.752735755e+00 2.30 -1.837556016e+00 2.32 -1.912389071e+00 2.34 -1.977975476e+00 2.36 -2.035005316e+00 2.38 -2.084121674e+00 2.40 -2.125923847e+00 2.42 -2.160970331e+00 2.44 -2.147011165e+00 2.46 -2.172982665e+00 2.48 -2.193458717e+00 2.50 -2.208873737e+00 2.52 -2.144741693e+00 2.54 -2.155809696e+00 2.56 -2.162670755e+00 2.58 -2.165668903e+00 2.60 -2.165124720e+00 2.62 -2.161336881e+00 2.64 -2.154583597e+00 2.66 -2.145123961e+00 2.68 -2.133199208e+00 2.70 -2.119033880e+00 2.72 -2.102836929e+00 2.74 -2.057194835e+00 2.76 -2.039025048e+00 2.78 -2.019283152e+00 2.80 -1.998129852e+00 2.82 -1.975714494e+00 2.84 -1.952175811e+00 2.86 -1.927642605e+00 2.88 -1.902234403e+00 2.90 -1.876062059e+00 2.92 -1.849228318e+00 2.94 -1.821828350e+00 2.96 -1.793950242e+00 2.98 -1.765675464e+00 3.00 -1.737079303e+00 3.02 -1.708231269e+00 3.04 -1.679195475e+00 3.06 -1.650030995e+00 3.08 -1.620792195e+00 3.10 -1.591529047e+00 3.12 -1.562287421e+00 3.14 -1.533109358e+00 3.16 -1.490159340e+00 3.18 -1.461957597e+00 3.20 -1.433886048e+00 3.22 -1.405975874e+00 3.24 -1.378255450e+00 3.26 -1.350750533e+00 3.28 -1.323484447e+00 3.30 -1.219408261e+00 3.32 -1.196299675e+00 3.34 -1.173318181e+00 3.36 -1.150486664e+00 3.38 -1.127825962e+00 3.40 -1.105354998e+00 3.42 -1.083090908e+00 3.44 -1.061049161e+00 3.46 -1.039243668e+00 3.48 -1.017686888e+00 3.50 -9.963899277e-01 3.52 -9.753626326e-01 3.54 -9.546136743e-01 3.56 -9.341506320e-01 3.58 -9.139800692e-01 3.60 -8.941076055e-01 3.62 -8.745379840e-01 3.64 -8.552751349e-01 3.66 -8.363222343e-01 3.68 -8.176817604e-01 3.70 -7.993555456e-01 3.72 -7.813448253e-01 3.74 -7.636502840e-01 3.76 -7.462720981e-01 3.78 -7.292099765e-01 3.80 -7.124631979e-01 3.82 -6.960306466e-01 3.84 -6.799108453e-01 3.86 -6.072081161e-01 3.88 -5.939424791e-01 3.90 -5.808957040e-01 3.92 -5.680685577e-01 3.94 -5.554614526e-01 3.96 -5.430744735e-01 3.98 -5.309074028e-01 4.00 -5.189597435e-01 4.02 -5.072307419e-01 4.04 -4.957194077e-01 4.06 -4.844245340e-01 4.08 -4.733447152e-01 4.10 -4.624783642e-01 4.12 -4.518237286e-01 4.14 -4.413789053e-01 4.16 -4.311418553e-01 4.18 -4.211104161e-01 4.20 -4.112823149e-01 4.22 -4.016551791e-01 4.24 -3.922265482e-01 4.26 -3.829938829e-01 4.28 -3.739545754e-01 4.30 -3.651059575e-01 4.32 -3.564453089e-01 4.34 -3.479698654e-01 4.36 -3.396768254e-01 4.38 -3.315633565e-01 4.40 -3.236266022e-01 4.42 -3.158636870e-01 4.44 -3.082717223e-01 4.46 -3.008478107e-01 4.48 -2.935890509e-01 4.50 -2.864925418e-01 4.52 -2.795553866e-01 4.54 -2.727746961e-01 4.56 -2.661475918e-01 4.58 -2.596712097e-01 4.60 -2.533427023e-01 4.62 -2.471592414e-01 4.64 -2.411180207e-01 4.66 -2.352162573e-01 4.68 -2.294511943e-01 4.70 -2.238201022e-01 4.72 -2.183202802e-01 4.74 -2.129490583e-01 4.76 -2.077037979e-01 4.78 -2.025818933e-01 4.80 -1.975807724e-01 4.82 -1.926978981e-01 4.84 -1.879307683e-01 4.86 -1.832769172e-01 4.88 -1.787339156e-01 4.90 -1.742993713e-01 4.92 -1.699709296e-01 4.94 -1.657462736e-01 4.96 -1.616231242e-01 4.98 -1.575992406e-01 5.00 -1.536724201e-01 5.02 -1.498404983e-01 5.04 -1.461013492e-01 5.06 -1.424528847e-01 5.08 -1.388930549e-01 5.10 -1.354198477e-01 5.12 -1.320312889e-01 5.14 -1.287254415e-01 5.16 -1.255004060e-01 5.18 -1.223543195e-01 5.20 -1.192853558e-01 5.22 -1.162917251e-01 5.24 -1.133716733e-01 5.26 -1.105234818e-01 5.28 -1.077454671e-01 5.30 -1.050359804e-01 5.32 -1.023934070e-01 5.34 -9.981616610e-02 5.36 -9.730271016e-02 5.38 -9.485152445e-02 5.40 -9.246112665e-02 5.42 -9.013006629e-02 5.44 -8.785692428e-02 5.46 -7.501478178e-02 5.48 -7.318298149e-02 5.50 -7.139484368e-02 5.52 -6.964938159e-02 5.54 -6.794562797e-02 5.56 -6.628263485e-02 5.58 -6.465947329e-02 5.60 -6.307523314e-02 5.62 -6.152902279e-02 5.64 -6.001996889e-02 5.66 -5.854721615e-02 5.68 -5.710992700e-02 5.70 -5.570728139e-02 5.72 -5.433847650e-02 5.74 -5.300272644e-02 5.76 -5.169926204e-02 5.78 -5.042733051e-02 5.80 -4.918619523e-02 5.82 -4.797513545e-02 5.84 -4.679344602e-02 5.86 -4.564043710e-02 5.88 -4.451543393e-02 5.90 -4.341777654e-02 5.92 -4.234681948e-02 5.94 -4.130193155e-02 5.96 -4.028249556e-02 5.98 -3.928790804e-02 6.00 -3.831757900e-02