# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ag2Mg # 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 2024-04-11 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 3.493733341e+02 1.16 3.223458856e+02 1.18 2.975151839e+02 1.20 2.746830427e+02 1.22 2.536715732e+02 1.24 2.343209996e+02 1.26 2.164882522e+02 1.28 2.000452094e+02 1.30 1.848762248e+02 1.32 1.708759621e+02 1.34 1.579482093e+02 1.36 1.460053440e+02 1.38 1.349677543e+02 1.40 1.247629588e+02 1.42 1.153246325e+02 1.44 1.065917406e+02 1.46 9.850914025e+01 1.48 9.102908694e+01 1.50 8.410397272e+01 1.52 7.769065663e+01 1.54 7.175015105e+01 1.56 6.624689937e+01 1.58 6.114823738e+01 1.60 5.642404962e+01 1.62 5.204650641e+01 1.64 4.798981330e+01 1.66 4.422999155e+01 1.68 4.074474712e+01 1.70 3.751343678e+01 1.72 3.451705838e+01 1.74 3.173817715e+01 1.76 2.916077677e+01 1.78 2.677010841e+01 1.80 2.455259650e+01 1.82 2.249579248e+01 1.84 2.058831300e+01 1.86 1.881973536e+01 1.88 1.718044953e+01 1.90 1.566150461e+01 1.92 1.425447457e+01 1.94 1.295137169e+01 1.96 1.174461927e+01 1.98 1.062708276e+01 2.00 9.592127424e+00 2.02 8.633661302e+00 2.04 7.746138370e+00 2.06 6.924517681e+00 2.08 6.164193156e+00 2.10 5.460916020e+00 2.12 4.810731077e+00 2.14 4.209933880e+00 2.16 3.655049669e+00 2.18 3.142825718e+00 2.20 2.670232126e+00 2.22 2.234462127e+00 2.24 1.832930429e+00 2.26 1.463266135e+00 2.28 1.123299685e+00 2.30 8.110445568e-01 2.32 5.246735747e-01 2.34 2.624965345e-01 2.36 2.293580940e-02 2.38 -1.954931645e-01 2.40 -3.941977066e-01 2.42 -5.745204574e-01 2.44 -7.377479637e-01 2.46 -8.851178581e-01 2.48 -1.017822748e+00 2.50 -1.137182898e+00 2.52 -1.244391610e+00 2.54 -1.340160256e+00 2.56 -1.425216806e+00 2.58 -1.500296689e+00 2.60 -1.566126451e+00 2.62 -1.623409168e+00 2.64 -1.672812604e+00 2.66 -1.714968525e+00 2.68 -1.750468525e+00 2.70 -1.779841105e+00 2.72 -1.803554543e+00 2.74 -1.822025268e+00 2.76 -1.835627579e+00 2.78 -1.844702446e+00 2.80 -1.849565198e+00 2.82 -1.850509358e+00 2.84 -1.847810730e+00 2.86 -1.841729557e+00 2.88 -1.832512649e+00 2.90 -1.820395826e+00 2.92 -1.805607031e+00 2.94 -1.788370287e+00 2.96 -1.768910338e+00 2.98 -1.747465793e+00 3.00 -1.724291718e+00 3.02 -1.699619644e+00 3.04 -1.673693907e+00 3.06 -1.646768107e+00 3.08 -1.619095386e+00 3.10 -1.590916284e+00 3.12 -1.562446181e+00 3.14 -1.533866767e+00 3.16 -1.505312117e+00 3.18 -1.476850887e+00 3.20 -1.448515575e+00 3.22 -1.420317934e+00 3.24 -1.392256490e+00 3.26 -1.364323777e+00 3.28 -1.336512091e+00 3.30 -1.308817227e+00 3.32 -1.281240227e+00 3.34 -1.253787552e+00 3.36 -1.226470265e+00 3.38 -1.199302860e+00 3.40 -1.172302106e+00 3.42 -1.145486491e+00 3.44 -1.118875318e+00 3.46 -1.092488648e+00 3.48 -1.066346933e+00 3.50 -1.040470675e+00 3.52 -1.014880032e+00 3.54 -9.895943707e-01 3.56 -9.646318335e-01 3.58 -9.400089381e-01 3.60 -9.157402612e-01 3.62 -8.918382139e-01 3.64 -8.683129194e-01 3.66 -8.451721923e-01 3.68 -8.224216178e-01 3.70 -8.000647209e-01 3.72 -7.781032188e-01 3.74 -7.565373410e-01 3.76 -7.353661943e-01 3.78 -7.145881431e-01 3.80 -6.942011620e-01 3.82 -6.742031156e-01 3.84 -6.545919197e-01 3.86 -6.353655527e-01 3.88 -6.165219118e-01 3.90 -5.980585399e-01 3.92 -5.799722814e-01 3.94 -5.622589446e-01 3.96 -5.449130327e-01 3.98 -5.279276142e-01 4.00 -5.112943424e-01 4.02 -4.950036247e-01 4.04 -4.790449173e-01 4.06 -4.634071167e-01 4.08 -4.480790220e-01 4.10 -4.330494557e-01 4.12 -4.183094774e-01 4.14 -4.038503467e-01 4.16 -3.896659759e-01 4.18 -3.757530169e-01 4.20 -3.621113837e-01 4.22 -3.487446573e-01 4.24 -3.356603019e-01 4.26 -3.228696255e-01 4.28 -3.103874235e-01 4.30 -2.982312778e-01 4.32 -2.864205223e-01 4.34 -2.749749382e-01 4.36 -2.639132908e-01 4.38 -2.532518556e-01 4.40 -2.430030929e-01 4.42 -2.331746147e-01 4.44 -2.237685427e-01 4.46 -2.147813027e-01 4.48 -2.062038332e-01 4.50 -1.980221411e-01 4.52 -1.902181022e-01 4.54 -1.827703949e-01 4.56 -1.756554646e-01 4.58 -1.688484378e-01 4.60 -1.623239311e-01 4.62 -1.560567281e-01 4.64 -1.500223195e-01 4.66 -1.441973169e-01 4.68 -1.385597622e-01 4.70 -1.330893558e-01 4.72 -1.277676304e-01 4.74 -1.225780912e-01 4.76 -1.175063386e-01 4.78 -1.125401862e-01 4.80 -1.076695152e-01 4.82 -1.028874734e-01 4.84 -9.818886410e-02 4.86 -9.357141167e-02 4.88 -8.903546677e-02 4.90 -8.458395825e-02 4.92 -8.022225508e-02 4.94 -7.595792189e-02 4.96 -7.180035990e-02 4.98 -6.776033578e-02 5.00 -6.384941612e-02 5.02 -6.007933772e-02 5.04 -5.646135531e-02 5.06 -5.300561500e-02 5.08 -4.972060555e-02 5.10 -4.661271929e-02 5.12 -4.368594962e-02 5.14 -4.094177348e-02 5.16 -3.837917541e-02 5.18 -3.599480815e-02 5.20 -3.378282313e-02 5.22 -3.173541496e-02 5.24 -2.984484294e-02 5.26 -2.810216005e-02 5.28 -2.649759804e-02 5.30 -2.502097742e-02 5.32 -2.366204645e-02 5.34 -2.241074718e-02 5.36 -2.125736862e-02 5.38 -2.019275977e-02 5.40 -1.920842031e-02 5.42 -1.829651264e-02 5.44 -1.744987598e-02 5.46 -1.666201638e-02 5.48 -1.592708004e-02 5.50 -1.523981518e-02 5.52 -1.459552748e-02 5.54 -1.399003209e-02 5.56 -1.341960506e-02 5.58 -1.288093572e-02 5.60 -1.237108142e-02 5.62 -1.188742521e-02 5.64 -1.142763693e-02 5.66 -1.098963789e-02 5.68 -1.057156909e-02 5.70 -1.017176284e-02 5.72 -9.788717675e-03 5.74 -9.421076234e-03 5.76 -9.067605979e-03 5.78 -8.727182400e-03 5.80 -8.398774581e-03 5.82 -8.081432875e-03 5.84 -7.774278541e-03 5.86 -7.476495196e-03 5.88 -7.187321957e-03 5.90 -6.906048194e-03 5.92 -6.632009829e-03 5.94 -6.364587127e-03 5.96 -6.103203939e-03 5.98 -5.847328371e-03 6.00 -5.596474823e-03