# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Al # implementation = 2025--Sharifi-H--Ni-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 5.796362716e+02 0.92 5.277437090e+02 0.94 4.796210135e+02 0.96 4.351901361e+02 0.98 3.943234104e+02 1.00 3.568594910e+02 1.02 3.226153443e+02 1.04 2.913952891e+02 1.06 2.629977965e+02 1.08 2.372205861e+02 1.10 2.138644116e+02 1.12 1.927358311e+02 1.14 1.736491906e+02 1.16 1.564279884e+02 1.18 1.409057584e+02 1.20 1.269265756e+02 1.22 1.143452645e+02 1.24 1.030273809e+02 1.26 9.284901783e+01 1.28 8.369647745e+01 1.30 7.546584848e+01 1.32 6.806251252e+01 1.34 6.140060625e+01 1.36 5.540245775e+01 1.38 4.999801013e+01 1.40 4.512424674e+01 1.42 4.072462656e+01 1.44 3.674853627e+01 1.46 3.315076463e+01 1.48 2.989100455e+01 1.50 2.693338631e+01 1.52 2.424604018e+01 1.54 2.180069007e+01 1.56 1.957227866e+01 1.58 1.753862437e+01 1.60 1.568010799e+01 1.62 1.397938812e+01 1.64 1.242114369e+01 1.66 1.099184207e+01 1.68 9.679530880e+00 1.70 8.473651849e+00 1.72 7.364874645e+00 1.74 6.344948823e+00 1.76 5.406541529e+00 1.78 4.543030235e+00 1.80 3.748386962e+00 1.82 3.017134784e+00 1.84 2.344300228e+00 1.86 1.725366022e+00 1.88 1.156228686e+00 1.90 6.331604525e-01 1.92 1.527749447e-01 1.94 -2.880066565e-01 1.96 -6.920099074e-01 1.98 -1.061852162e+00 2.00 -1.399960726e+00 2.02 -1.708587561e+00 2.04 -1.989821339e+00 2.06 -2.245589568e+00 2.08 -2.477678652e+00 2.10 -2.687751044e+00 2.12 -2.877354401e+00 2.14 -3.047929977e+00 2.16 -3.200820338e+00 2.18 -3.337268718e+00 2.20 -3.458417652e+00 2.22 -3.565333707e+00 2.24 -3.659015239e+00 2.26 -3.740396854e+00 2.28 -3.810353555e+00 2.30 -3.869704597e+00 2.32 -3.919217087e+00 2.34 -3.959609336e+00 2.36 -3.991553979e+00 2.38 -4.015680891e+00 2.40 -4.032579901e+00 2.42 -4.042803328e+00 2.44 -4.046868350e+00 2.46 -4.045259154e+00 2.48 -4.038429463e+00 2.50 -4.026845467e+00 2.52 -4.010986447e+00 2.54 -3.991263496e+00 2.56 -3.968065729e+00 2.58 -3.941750875e+00 2.60 -3.912647731e+00 2.62 -3.881058420e+00 2.64 -3.847260470e+00 2.66 -3.811508744e+00 2.68 -3.774037207e+00 2.70 -3.735060564e+00 2.72 -3.694775766e+00 2.74 -3.653363402e+00 2.76 -3.610988984e+00 2.78 -3.567804125e+00 2.80 -3.523947634e+00 2.82 -3.479546522e+00 2.84 -3.434716927e+00 2.86 -3.389564971e+00 2.88 -3.344187548e+00 2.90 -3.298673052e+00 2.92 -3.253102045e+00 2.94 -3.207547877e+00 2.96 -3.162077252e+00 2.98 -3.116750755e+00 3.00 -3.071623333e+00 3.02 -3.026744740e+00 3.04 -2.982159945e+00 3.06 -2.937909510e+00 3.08 -2.894029933e+00 3.10 -2.850553971e+00 3.12 -2.807510925e+00 3.14 -2.764926910e+00 3.16 -2.722825102e+00 3.18 -2.681225960e+00 3.20 -2.640147432e+00 3.22 -2.599605137e+00 3.24 -2.559612542e+00 3.26 -2.520181110e+00 3.28 -2.481320443e+00 3.30 -2.443038408e+00 3.32 -2.405341249e+00 3.34 -2.368233695e+00 3.36 -2.331719045e+00 3.38 -2.295799258e+00 3.40 -2.260475024e+00 3.42 -2.225745834e+00 3.44 -2.191610043e+00 3.46 -2.158064920e+00 3.48 -2.125106709e+00 3.50 -2.092730672e+00 3.52 -2.060931141e+00 3.54 -2.029701561e+00 3.56 -1.999034538e+00 3.58 -1.968921888e+00 3.60 -1.939354685e+00 3.62 -1.910323313e+00 3.64 -1.881817522e+00 3.66 -1.853826486e+00 3.68 -1.826338867e+00 3.70 -1.799342882e+00 3.72 -1.772826374e+00 3.74 -1.746776883e+00 3.76 -1.721181728e+00 3.78 -1.696028086e+00 3.80 -1.671303070e+00 3.82 -1.646993816e+00 3.84 -1.623087559e+00 3.86 -1.599571716e+00 3.88 -1.576433960e+00 3.90 -1.553662291e+00 3.92 -1.531245106e+00 3.94 -1.509171254e+00 3.96 -1.487430089e+00 3.98 -1.466011514e+00 4.00 -1.444906016e+00 4.02 -1.424104691e+00 4.04 -1.403599260e+00 4.06 -1.383382074e+00 4.08 -1.363446112e+00 4.10 -1.343784975e+00 4.12 -1.324392858e+00 4.14 -1.305264533e+00 4.16 -1.286395313e+00 4.18 -1.267781014e+00 4.20 -1.249417918e+00 4.22 -1.231302727e+00 4.24 -1.213432516e+00 4.26 -1.195746993e+00 4.28 -1.177071827e+00 4.30 -1.154163069e+00 4.32 -1.125997848e+00 4.34 -1.106299176e+00 4.36 -1.090318391e+00 4.38 -1.074568542e+00 4.40 -1.059047579e+00 4.42 -1.043753448e+00 4.44 -1.028684076e+00 4.46 -1.013837370e+00 4.48 -9.992112083e-01 4.50 -9.848034348e-01 4.52 -9.706118599e-01 4.54 -9.566342572e-01 4.56 -9.428683633e-01 4.58 -9.293118792e-01 4.60 -9.159624710e-01 4.62 -9.028177733e-01 4.64 -8.898753906e-01 4.66 -8.771329015e-01 4.68 -8.645878617e-01 4.70 -8.522378074e-01 4.72 -8.400802589e-01 4.74 -8.281127245e-01 4.76 -8.163327035e-01 4.78 -8.047376899e-01 4.80 -7.933251750e-01 4.82 -7.820926510e-01 4.84 -7.710376132e-01 4.86 -7.601575625e-01 4.88 -7.494500079e-01 4.90 -7.389124682e-01 4.92 -7.278278652e-01 4.94 -7.066034686e-01 4.96 -6.401313932e-01 4.98 -4.218441388e-01 5.00 -4.222977372e-22 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 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