# 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 = CoCr # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan 2.934218053e+02 2.934218053e+02 nan nan 0.86 nan nan nan nan 2.662106986e+02 2.662106986e+02 nan nan 0.88 nan nan nan nan 2.418141183e+02 2.418141183e+02 nan nan 0.90 nan nan nan nan 2.198897090e+02 2.198897090e+02 nan nan 0.92 nan nan nan nan 1.999913957e+02 1.999913957e+02 nan nan 0.94 nan nan nan nan 1.821652095e+02 1.821652095e+02 nan nan 0.96 2.882360762e+02 2.882360762e+02 nan nan 1.659755540e+02 1.659755540e+02 nan nan 0.98 2.636250728e+02 2.636250728e+02 nan nan 1.511701152e+02 1.511701152e+02 nan nan 1.00 2.413730994e+02 2.413730994e+02 nan nan 1.379513660e+02 1.379513660e+02 nan nan 1.02 2.207450337e+02 2.207450337e+02 nan nan 1.258098173e+02 1.258098173e+02 nan nan 1.04 2.022343666e+02 2.022343666e+02 nan nan 1.147110300e+02 1.147110300e+02 nan nan 1.06 1.851450141e+02 1.851450141e+02 nan nan 1.047444617e+02 1.047444617e+02 nan nan 1.08 1.695900596e+02 1.695900596e+02 2.462382005e+02 2.462382005e+02 9.578101669e+01 9.578101669e+01 2.657450851e+02 2.657450851e+02 1.10 1.555207281e+02 1.555207281e+02 2.267281286e+02 2.267281286e+02 8.750745273e+01 8.750745273e+01 2.448364979e+02 2.448364979e+02 1.12 1.423874846e+02 1.423874846e+02 2.085653172e+02 2.085653172e+02 7.992652763e+01 7.992652763e+01 2.255645537e+02 2.255645537e+02 1.14 1.303328781e+02 1.303328781e+02 1.918151080e+02 1.918151080e+02 7.293840867e+01 7.293840867e+01 2.078797231e+02 2.078797231e+02 1.16 1.194439494e+02 1.194439494e+02 1.765691345e+02 1.765691345e+02 6.663560758e+01 6.663560758e+01 1.915957549e+02 1.915957549e+02 1.18 1.095323308e+02 1.095323308e+02 1.624747262e+02 1.624747262e+02 6.087924423e+01 6.087924423e+01 1.766507093e+02 1.766507093e+02 1.20 1.002138264e+02 1.002138264e+02 1.498170347e+02 1.498170347e+02 5.566552631e+01 5.566552631e+01 1.627781971e+02 1.627781971e+02 1.22 9.176812918e+01 9.176812918e+01 1.378413800e+02 1.378413800e+02 5.085788721e+01 5.085788721e+01 1.501327933e+02 1.501327933e+02 1.24 8.414364089e+01 8.414364089e+01 1.267299725e+02 1.267299725e+02 4.637956035e+01 4.637956035e+01 1.383300100e+02 1.383300100e+02 1.26 7.696451730e+01 7.696451730e+01 1.166676309e+02 1.166676309e+02 4.231649921e+01 4.231649921e+01 1.275332202e+02 1.275332202e+02 1.28 7.033922178e+01 7.033922178e+01 1.072806779e+02 1.072806779e+02 3.861523513e+01 3.861523513e+01 1.175020501e+02 1.175020501e+02 1.30 6.429191233e+01 6.429191233e+01 9.865463699e+01 9.865463699e+01 3.528050442e+01 3.528050442e+01 1.081795932e+02 1.081795932e+02 1.32 5.865954081e+01 5.865954081e+01 9.058273219e+01 9.058273219e+01 3.211322924e+01 3.211322924e+01 9.959262334e+01 9.959262334e+01 1.34 5.348249974e+01 5.348249974e+01 8.335090061e+01 8.335090061e+01 2.924936490e+01 2.924936490e+01 9.163286051e+01 9.163286051e+01 1.36 4.879359089e+01 4.879359089e+01 7.644604180e+01 7.644604180e+01 2.658517842e+01 2.658517842e+01 8.429916428e+01 8.429916428e+01 1.38 4.456049908e+01 4.456049908e+01 7.008801236e+01 7.008801236e+01 2.416056907e+01 2.416056907e+01 7.754003492e+01 7.754003492e+01 1.40 4.050753465e+01 4.050753465e+01 6.419652386e+01 6.419652386e+01 2.191842319e+01 2.191842319e+01 7.128698769e+01 7.128698769e+01 1.42 3.685360116e+01 3.685360116e+01 5.875329559e+01 5.875329559e+01 1.986168579e+01 1.986168579e+01 6.549917041e+01 6.549917041e+01 1.44 3.341557340e+01 3.341557340e+01 5.393404009e+01 5.393404009e+01 1.808005483e+01 1.808005483e+01 6.005366796e+01 6.005366796e+01 1.46 3.032534889e+01 3.032534889e+01 4.941708157e+01 4.941708157e+01 1.649292322e+01 1.649292322e+01 5.505164537e+01 5.505164537e+01 1.48 2.740743503e+01 2.740743503e+01 4.507964411e+01 4.507964411e+01 1.487481615e+01 1.487481615e+01 5.049712140e+01 5.049712140e+01 1.50 2.483213590e+01 2.483213590e+01 4.107109658e+01 4.107109658e+01 1.339038743e+01 1.339038743e+01 4.617780379e+01 4.617780379e+01 1.52 2.235093745e+01 2.235093745e+01 3.744247775e+01 3.744247775e+01 1.202847913e+01 1.202847913e+01 4.223741336e+01 4.223741336e+01 1.54 2.021703528e+01 2.021703528e+01 3.415771010e+01 3.415771010e+01 1.085289893e+01 1.085289893e+01 3.852763711e+01 3.852763711e+01 1.56 1.810275894e+01 1.810275894e+01 3.096917531e+01 3.096917531e+01 9.698438650e+00 9.698438650e+00 3.510122422e+01 3.510122422e+01 1.58 1.617862733e+01 1.617862733e+01 2.804867028e+01 2.804867028e+01 8.665210633e+00 8.665210633e+00 3.197325511e+01 3.197325511e+01 1.60 1.439059482e+01 1.439059482e+01 2.532384409e+01 2.532384409e+01 7.691268672e+00 7.691268672e+00 2.904823920e+01 2.904823920e+01 1.62 1.274786193e+01 1.274786193e+01 2.280665231e+01 2.280665231e+01 6.798188882e+00 6.798188882e+00 2.629227162e+01 2.629227162e+01 1.64 1.123908853e+01 1.123908853e+01 2.048164510e+01 2.048164510e+01 5.979423964e+00 5.979423964e+00 2.374264088e+01 2.374264088e+01 1.66 9.853857824e+00 9.853857824e+00 1.840784637e+01 1.840784637e+01 5.228985042e+00 5.228985042e+00 2.138422765e+01 2.138422765e+01 1.68 8.582594801e+00 8.582594801e+00 1.649109333e+01 1.649109333e+01 4.577823954e+00 4.577823954e+00 1.925319456e+01 1.925319456e+01 1.70 7.562295752e+00 7.562295752e+00 1.464766217e+01 1.464766217e+01 3.944412545e+00 3.944412545e+00 1.733046948e+01 1.733046948e+01 1.72 6.478853045e+00 6.478853045e+00 1.294717295e+01 1.294717295e+01 3.364583804e+00 3.364583804e+00 1.545199551e+01 1.545199551e+01 1.74 5.486420144e+00 5.486420144e+00 1.145279982e+01 1.145279982e+01 2.907718467e+00 2.907718467e+00 1.376592603e+01 1.376592603e+01 1.76 4.652343367e+00 4.652343367e+00 1.000049348e+01 1.000049348e+01 2.415530104e+00 2.415530104e+00 1.215824773e+01 1.215824773e+01 1.78 3.814344385e+00 3.814344385e+00 8.662739071e+00 8.662739071e+00 1.965857554e+00 1.965857554e+00 1.077404232e+01 1.077404232e+01 1.80 3.048590244e+00 3.048590244e+00 7.431200229e+00 7.431200229e+00 1.555340449e+00 1.555340449e+00 9.395215233e+00 9.395215233e+00 1.82 2.375792099e+00 2.375792099e+00 6.396679773e+00 6.396679773e+00 1.180890890e+00 1.180890890e+00 8.149259845e+00 8.149259845e+00 1.84 1.735867486e+00 1.735867486e+00 5.345960780e+00 5.345960780e+00 8.396698844e-01 8.396698844e-01 6.975153819e+00 6.975153819e+00 1.86 1.152984157e+00 1.152984157e+00 4.528022161e+00 4.528022161e+00 6.026731359e-01 6.026731359e-01 5.943947048e+00 5.943947048e+00 1.88 6.227512013e-01 6.227512013e-01 3.628893899e+00 3.628893899e+00 3.136163734e-01 3.136163734e-01 4.944250937e+00 4.944250937e+00 1.90 2.201826465e-01 2.201826465e-01 2.804572665e+00 2.804572665e+00 5.116250288e-02 5.116250288e-02 4.074573727e+00 4.074573727e+00 1.92 -2.235676358e-01 -2.235676358e-01 2.049613691e+00 2.049613691e+00 -1.867808529e-01 -1.867808529e-01 3.252012972e+00 3.252012972e+00 1.94 -6.253203688e-01 -6.253203688e-01 1.396696088e+00 1.396696088e+00 -3.644129465e-01 -3.644129465e-01 2.470449035e+00 2.470449035e+00 1.96 -9.883292993e-01 -9.883292993e-01 7.624064743e-01 7.624064743e-01 -5.622395975e-01 -5.622395975e-01 1.778886165e+00 1.778886165e+00 1.98 -1.315602467e+00 -1.315602467e+00 1.836818498e-01 1.836818498e-01 -7.406149529e-01 -7.406149529e-01 1.120436737e+00 1.120436737e+00 2.00 -1.533254321e+00 -1.533254321e+00 -3.435371520e-01 -3.435371520e-01 -9.010740770e-01 -9.010740770e-01 5.181674692e-01 5.181674692e-01 2.02 -1.803639312e+00 -1.803639312e+00 -8.230194627e-01 -8.230194627e-01 -1.045033083e+00 -1.045033083e+00 -3.194785346e-02 -3.194785346e-02 2.04 -2.045482317e+00 -2.045482317e+00 -1.258265272e+00 -1.258265272e+00 -1.173798763e+00 -1.173798763e+00 -4.439007943e-01 -4.439007943e-01 2.06 -2.261030577e+00 -2.261030577e+00 -1.652525975e+00 -1.652525975e+00 -1.288577387e+00 -1.288577387e+00 -9.080780645e-01 -9.080780645e-01 2.08 -2.452363401e+00 -2.452363401e+00 -2.008822521e+00 -2.008822521e+00 -1.390482747e+00 -1.390482747e+00 -1.329952209e+00 -1.329952209e+00 2.10 -2.567377270e+00 -2.567377270e+00 -2.259445305e+00 -2.259445305e+00 -1.447244646e+00 -1.447244646e+00 -1.698736339e+00 -1.698736339e+00 2.12 -2.678803927e+00 -2.678803927e+00 -2.521347049e+00 -2.521347049e+00 -1.511106131e+00 -1.511106131e+00 -2.034519661e+00 -2.034519661e+00 2.14 -2.815763928e+00 -2.815763928e+00 -2.787594876e+00 -2.787594876e+00 -1.584144835e+00 -1.584144835e+00 -2.348956388e+00 -2.348956388e+00 2.16 -2.934806174e+00 -2.934806174e+00 -3.025356245e+00 -3.025356245e+00 -1.647668669e+00 -1.647668669e+00 -2.619441381e+00 -2.619441381e+00 2.18 -3.037389259e+00 -3.037389259e+00 -3.236777559e+00 -3.236777559e+00 -1.702452351e+00 -1.702452351e+00 -2.849350765e+00 -2.849350765e+00 2.20 -3.124863294e+00 -3.124863294e+00 -3.423854481e+00 -3.423854481e+00 -1.749212045e+00 -1.749212045e+00 -3.079088296e+00 -3.079088296e+00 2.22 -3.198477983e+00 -3.198477983e+00 -3.588442665e+00 -3.588442665e+00 -1.788609871e+00 -1.788609871e+00 -3.283626108e+00 -3.283626108e+00 2.24 -3.221644042e+00 -3.221644042e+00 -3.656775597e+00 -3.656775597e+00 -1.745765977e+00 -1.745765977e+00 -3.464842901e+00 -3.464842901e+00 2.26 -3.273776563e+00 -3.273776563e+00 -3.787146746e+00 -3.787146746e+00 -1.777935318e+00 -1.777935318e+00 -3.624487823e+00 -3.624487823e+00 2.28 -3.315053262e+00 -3.315053262e+00 -3.899421860e+00 -3.899421860e+00 -1.804014953e+00 -1.804014953e+00 -3.764189488e+00 -3.764189488e+00 2.30 -3.346407339e+00 -3.346407339e+00 -3.995020820e+00 -3.995020820e+00 -1.824521258e+00 -1.824521258e+00 -3.885464343e+00 -3.885464343e+00 2.32 -3.368702370e+00 -3.368702370e+00 -4.075263882e+00 -4.075263882e+00 -1.839931836e+00 -1.839931836e+00 -3.932959238e+00 -3.932959238e+00 2.34 -3.382737405e+00 -3.382737405e+00 -4.141378608e+00 -4.141378608e+00 -1.850688424e+00 -1.850688424e+00 -4.025666216e+00 -4.025666216e+00 2.36 -3.389251677e+00 -3.389251677e+00 -4.194506307e+00 -4.194506307e+00 -1.857199571e+00 -1.857199571e+00 -4.053967876e+00 -4.053967876e+00 2.38 -3.388928965e+00 -3.388928965e+00 -4.235707993e+00 -4.235707993e+00 -1.859843109e+00 -1.859843109e+00 -4.121853190e+00 -4.121853190e+00 2.40 -3.382401626e+00 -3.382401626e+00 -4.265969937e+00 -4.265969937e+00 -1.858968432e+00 -1.858968432e+00 -4.176947650e+00 -4.176947650e+00 2.42 -3.370254332e+00 -3.370254332e+00 -4.286208807e+00 -4.286208807e+00 -1.854898600e+00 -1.854898600e+00 -4.169756452e+00 -4.169756452e+00 2.44 -3.353027524e+00 -3.353027524e+00 -4.217955834e+00 -4.217955834e+00 -1.847932283e+00 -1.847932283e+00 -4.205816741e+00 -4.205816741e+00 2.46 -3.331220620e+00 -3.331220620e+00 -4.226132982e+00 -4.226132982e+00 -1.838345555e+00 -1.838345555e+00 -4.231705613e+00 -4.231705613e+00 2.48 -3.305294978e+00 -3.305294978e+00 -4.226286986e+00 -4.226286986e+00 -1.826393553e+00 -1.826393553e+00 -4.248266547e+00 -4.248266547e+00 2.50 -3.275676648e+00 -3.275676648e+00 -4.219126623e+00 -4.219126623e+00 -1.812312010e+00 -1.812312010e+00 -4.256284314e+00 -4.256284314e+00 2.52 -3.242758924e+00 -3.242758924e+00 -4.130543437e+00 -4.130543437e+00 -1.758935350e+00 -1.758935350e+00 -4.256488917e+00 -4.256488917e+00 2.54 -3.206904700e+00 -3.206904700e+00 -4.115732405e+00 -4.115732405e+00 -1.743756606e+00 -1.743756606e+00 -4.223144176e+00 -4.223144176e+00 2.56 -3.168448673e+00 -3.168448673e+00 -4.095103299e+00 -4.095103299e+00 -1.726882718e+00 -1.726882718e+00 -4.211470229e+00 -4.211470229e+00 2.58 -3.050511796e+00 -3.050511796e+00 -4.069205051e+00 -4.069205051e+00 -1.708496343e+00 -1.708496343e+00 -4.193763387e+00 -4.193763387e+00 2.60 -3.012830650e+00 -3.012830650e+00 -4.038546922e+00 -4.038546922e+00 -1.688766093e+00 -1.688766093e+00 -4.170576642e+00 -4.170576642e+00 2.62 -2.973069289e+00 -2.973069289e+00 -4.003601189e+00 -4.003601189e+00 -1.667847546e+00 -1.667847546e+00 -4.142423771e+00 -4.142423771e+00 2.64 -2.931490206e+00 -2.931490206e+00 -3.964805649e+00 -3.964805649e+00 -1.645884181e+00 -1.645884181e+00 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