# 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 = AlCo2Mn # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 2.159585223e+02 2.159585223e+02 1.10 1.993771992e+02 1.993771992e+02 1.12 1.838171548e+02 1.838171548e+02 1.14 1.694106416e+02 1.694106416e+02 1.16 1.563479601e+02 1.563479601e+02 1.18 1.442300802e+02 1.442300802e+02 1.20 1.334597480e+02 1.334597480e+02 1.22 1.231251870e+02 1.231251870e+02 1.24 1.134805498e+02 1.134805498e+02 1.26 1.047639458e+02 1.047638654e+02 1.28 9.666270332e+01 9.666270332e+01 1.30 8.919029540e+01 8.919029540e+01 1.32 8.212684599e+01 8.212684599e+01 1.34 7.587744992e+01 7.587744992e+01 1.36 6.980594844e+01 6.980594844e+01 1.38 6.421489499e+01 6.421489499e+01 1.40 5.901486363e+01 5.901486363e+01 1.42 5.420121558e+01 5.420121558e+01 1.44 5.002164569e+01 5.002164569e+01 1.46 4.608226119e+01 4.608226119e+01 1.48 4.220768637e+01 4.220768637e+01 1.50 3.861899965e+01 3.861899965e+01 1.52 3.539128140e+01 3.539128140e+01 1.54 3.249540278e+01 3.249540278e+01 1.56 2.961278595e+01 2.961278595e+01 1.58 2.697849535e+01 2.697849535e+01 1.60 2.450133167e+01 2.450133167e+01 1.62 2.220666194e+01 2.220666194e+01 1.64 2.008115220e+01 2.008115220e+01 1.66 1.820565488e+01 1.820565488e+01 1.68 1.646942554e+01 1.646942554e+01 1.70 1.476440593e+01 1.476440593e+01 1.72 1.318639301e+01 1.318639301e+01 1.74 1.182988369e+01 1.182988369e+01 1.76 1.047019870e+01 1.047019870e+01 1.78 9.213065579e+00 9.213065579e+00 1.80 8.051216275e+00 8.051216275e+00 1.82 7.102621899e+00 7.102621899e+00 1.84 6.100858348e+00 6.100858348e+00 1.86 5.369827253e+00 5.369827253e+00 1.88 4.501100495e+00 4.501100495e+00 1.90 3.700709414e+00 3.700709414e+00 1.92 2.963841658e+00 2.963841658e+00 1.94 2.338979360e+00 2.338979360e+00 1.96 1.711879513e+00 1.711879513e+00 1.98 1.136154789e+00 1.136154789e+00 2.00 6.081914339e-01 6.081914339e-01 2.02 1.246286732e-01 1.246286732e-01 2.04 -3.176600004e-01 -3.176600004e-01 2.06 -7.215840342e-01 -7.215840342e-01 2.08 -1.089851654e+00 -1.089851654e+00 2.10 -1.338235844e+00 -1.338233915e+00 2.12 -1.601625389e+00 -1.601625389e+00 2.14 -1.886951598e+00 -1.886951598e+00 2.16 -2.145001283e+00 -2.145001283e+00 2.18 -2.377726947e+00 -2.377726947e+00 2.20 -2.586948189e+00 -2.586948189e+00 2.22 -2.774360996e+00 -2.774360996e+00 2.24 -2.835598949e+00 -2.835598949e+00 2.26 -2.991328534e+00 -2.991328534e+00 2.28 -3.129175837e+00 -3.129175837e+00 2.30 -3.250456787e+00 -3.250456787e+00 2.32 -3.356398494e+00 -3.356398494e+00 2.34 -3.448145286e+00 -3.448145286e+00 2.36 -3.526764309e+00 -3.526764309e+00 2.38 -3.593250741e+00 -3.593250741e+00 2.40 -3.648532621e+00 -3.648532621e+00 2.42 -3.693475354e+00 -3.693475354e+00 2.44 -3.628520916e+00 -3.628520916e+00 2.46 -3.661689411e+00 -3.661689411e+00 2.48 -3.686355244e+00 -3.686355244e+00 2.50 -3.703199619e+00 -3.703199619e+00 2.52 -3.614794582e+00 -3.614794582e+00 2.54 -3.624065979e+00 -3.624065979e+00 2.56 -3.626903131e+00 -3.626903131e+00 2.58 -3.623844569e+00 -3.623844569e+00 2.60 -3.615392148e+00 -3.615392148e+00 2.62 -3.602013441e+00 -3.602013441e+00 2.64 -3.584143962e+00 -3.584143962e+00 2.66 -3.562189255e+00 -3.562189255e+00 2.68 -3.536526839e+00 -3.536526839e+00 2.70 -3.507508025e+00 -3.507508025e+00 2.72 -3.475459623e+00 -3.475459623e+00 2.74 -3.413932763e+00 -3.413932763e+00 2.76 -3.378229836e+00 -3.378229836e+00 2.78 -3.340260349e+00 -3.340260349e+00 2.80 -3.300272833e+00 -3.300272833e+00 2.82 -3.258498038e+00 -3.258498038e+00 2.84 -3.215150085e+00 -3.215150085e+00 2.86 -3.170427545e+00 -3.170427545e+00 2.88 -3.124514449e+00 -3.124514449e+00 2.90 -3.077581236e+00 -3.077581236e+00 2.92 -3.029785640e+00 -3.029785640e+00 2.94 -2.981273518e+00 -2.981273518e+00 2.96 -2.932179628e+00 -2.932179628e+00 2.98 -2.882628355e+00 -2.882628355e+00 3.00 -2.832734397e+00 -2.832734397e+00 3.02 -2.782603400e+00 -2.782603400e+00 3.04 -2.732332554e+00 -2.732332554e+00 3.06 -2.682011161e+00 -2.682011161e+00 3.08 -2.631721152e+00 -2.631721152e+00 3.10 -2.581537582e+00 -2.581537582e+00 3.12 -2.531529092e+00 -2.531529092e+00 3.14 -2.481758338e+00 -2.481758338e+00 3.16 -2.399686562e+00 -2.399686562e+00 3.18 -2.352214525e+00 -2.352214525e+00 3.20 -2.305052254e+00 -2.305052254e+00 3.22 -2.258246479e+00 -2.258246479e+00 3.24 -2.211839520e+00 -2.211839520e+00 3.26 -2.165869588e+00 -2.165869588e+00 3.28 -2.120371067e+00 -2.120371067e+00 3.30 -1.974358359e+00 -1.974358359e+00 3.32 -1.934794585e+00 -1.934794585e+00 3.34 -1.895547997e+00 -1.895547997e+00 3.36 -1.856651505e+00 -1.856651505e+00 3.38 -1.818134830e+00 -1.818134830e+00 3.40 -1.780024712e+00 -1.780024712e+00 3.42 -1.742345121e+00 -1.742345121e+00 3.44 -1.705117436e+00 -1.705117436e+00 3.46 -1.668360634e+00 -1.668360634e+00 3.48 -1.632091447e+00 -1.632091447e+00 3.50 -1.596324526e+00 -1.596324526e+00 3.52 -1.561072584e+00 -1.561072584e+00 3.54 -1.526346538e+00 -1.526346538e+00 3.56 -1.492155634e+00 -1.492155634e+00 3.58 -1.458507572e+00 -1.458507572e+00 3.60 -1.425408617e+00 -1.425408617e+00 3.62 -1.392863709e+00 -1.392863709e+00 3.64 -1.360876562e+00 -1.360876562e+00 3.66 -1.329449756e+00 -1.329449756e+00 3.68 -1.298584826e+00 -1.298584826e+00 3.70 -1.268282347e+00 -1.268282347e+00 3.72 -1.238542006e+00 -1.238542006e+00 3.74 -1.209362679e+00 -1.209362679e+00 3.76 -1.180742495e+00 -1.180742495e+00 3.78 -1.152678900e+00 -1.152678900e+00 3.80 -1.125168717e+00 -1.125168717e+00 3.82 -1.098208203e+00 -1.098208203e+00 3.84 -1.071793094e+00 -1.071793094e+00 3.86 -9.907400233e-01 -9.907400233e-01 3.88 -9.676285510e-01 -9.676285510e-01 3.90 -9.449571269e-01 -9.449571269e-01 3.92 -9.227234816e-01 -9.227234816e-01 3.94 -9.009248976e-01 -9.009248976e-01 3.96 -8.795582483e-01 -8.795582483e-01 3.98 -8.586200351e-01 -8.586200351e-01 4.00 -8.381064217e-01 -8.381064217e-01 4.02 -8.180132662e-01 -8.180132662e-01 4.04 -7.983361512e-01 -7.983361512e-01 4.06 -7.790704121e-01 -7.790704121e-01 4.08 -7.602111627e-01 -7.602111627e-01 4.10 -7.417533204e-01 -7.417533204e-01 4.12 -7.236916286e-01 -7.236916286e-01 4.14 -7.060206782e-01 -7.060206782e-01 4.16 -6.887349270e-01 -6.887349270e-01 4.18 -6.718287185e-01 -6.718287185e-01 4.20 -6.552962990e-01 -6.552962990e-01 4.22 -6.391318333e-01 -6.391318333e-01 4.24 -6.233294199e-01 -6.233294199e-01 4.26 -6.078831041e-01 -6.078831041e-01 4.28 -5.927868912e-01 -5.927868912e-01 4.30 -5.780347581e-01 -5.780347581e-01 4.32 -5.636206642e-01 -5.636206642e-01 4.34 -5.495385614e-01 -5.495385614e-01 4.36 -5.357824033e-01 -5.357824033e-01 4.38 -5.223461539e-01 -5.223461539e-01 4.40 -5.092237951e-01 -5.092237951e-01 4.42 -4.964093345e-01 -4.964093345e-01 4.44 -4.838968112e-01 -4.838968112e-01 4.46 -4.716803024e-01 -4.716803024e-01 4.48 -4.597539288e-01 -4.597539288e-01 4.50 -4.481118595e-01 -4.481118595e-01 4.52 -4.367483163e-01 -4.367483163e-01 4.54 -4.256575784e-01 -4.256575784e-01 4.56 -4.148339855e-01 -4.148339855e-01 4.58 -4.042719414e-01 -4.042719414e-01 4.60 -3.939659171e-01 -3.939659171e-01 4.62 -3.839104529e-01 -3.839104529e-01 4.64 -3.741001614e-01 -3.741001614e-01 4.66 -3.645297291e-01 -3.645297291e-01 4.68 -3.551939183e-01 -3.551939183e-01 4.70 -3.460875686e-01 -3.460875686e-01 4.72 -3.372055982e-01 -3.372055982e-01 4.74 -3.285430050e-01 -3.285430050e-01 4.76 -3.200948676e-01 -3.200948676e-01 4.78 -3.118563455e-01 -3.118563455e-01 4.80 -3.038226803e-01 -3.038226803e-01 4.82 -2.959891957e-01 -2.959891957e-01 4.84 -2.883512976e-01 -2.883512976e-01 4.86 -2.809044746e-01 -2.809044746e-01 4.88 -2.736442976e-01 -2.736442976e-01 4.90 -2.665664195e-01 -2.665664195e-01 4.92 -2.596665757e-01 -2.596665757e-01 4.94 -2.529405827e-01 -2.529405827e-01 4.96 -2.463843385e-01 -2.463843385e-01 4.98 -2.399938218e-01 -2.399938218e-01 5.00 -2.337650910e-01 -2.337650910e-01 5.02 -2.276942844e-01 -2.276942844e-01 5.04 -2.217776184e-01 -2.217776184e-01 5.06 -2.160113877e-01 -2.160113877e-01 5.08 -2.103919639e-01 -2.103919639e-01 5.10 -2.049157946e-01 -2.049157946e-01 5.12 -1.995794029e-01 -1.995794029e-01 5.14 -1.943793859e-01 -1.943793859e-01 5.16 -1.893124143e-01 -1.893124143e-01 5.18 -1.843752308e-01 -1.843752308e-01 5.20 -1.795646496e-01 -1.795646496e-01 5.22 -1.748775548e-01 -1.748775548e-01 5.24 -1.703108998e-01 -1.703108998e-01 5.26 -1.658617061e-01 -1.658617061e-01 5.28 -1.615270621e-01 -1.615270621e-01 5.30 -1.573041217e-01 -1.573041217e-01 5.32 -1.531901039e-01 -1.531901039e-01 5.34 -1.491822912e-01 -1.491822912e-01 5.36 -1.452780283e-01 -1.452780283e-01 5.38 -1.414747216e-01 -1.414747216e-01 5.40 -1.377698375e-01 -1.377698375e-01 5.42 -1.341609015e-01 -1.341609015e-01 5.44 -1.306454971e-01 -1.306454971e-01 5.46 -1.022804941e-01 -1.022804941e-01 5.48 -9.968519372e-02 -9.968519372e-02 5.50 -9.715463885e-02 -9.715463885e-02 5.52 -9.468727412e-02 -9.468727412e-02 5.54 -9.228157829e-02 -9.228157829e-02 5.56 -8.993606370e-02 -8.993606370e-02 5.58 -8.764927570e-02 -8.764927570e-02 5.60 -8.541979206e-02 -8.541979206e-02 5.62 -8.324622238e-02 -8.324622238e-02 5.64 -8.112720758e-02 -8.112720758e-02 5.66 -7.906141926e-02 -7.906141926e-02 5.68 -7.704755921e-02 -7.704755921e-02 5.70 -7.508435875e-02 -7.508435875e-02 5.72 -7.317057826e-02 -7.317057826e-02 5.74 -7.130500659e-02 -7.130500659e-02 5.76 -6.948646048e-02 -6.948646048e-02 5.78 -6.771378406e-02 -6.771378406e-02 5.80 -6.598584827e-02 -6.598584827e-02 5.82 -6.430155035e-02 -6.430155035e-02 5.84 -6.265981331e-02 -6.265981331e-02 5.86 -6.105958536e-02 -6.105958536e-02 5.88 -5.949983947e-02 -5.949983947e-02 5.90 -5.797957279e-02 -5.797957279e-02 5.92 -5.649780617e-02 -5.649780617e-02 5.94 -5.505358366e-02 -5.505358366e-02 5.96 -5.364597204e-02 -5.364597204e-02 5.98 -5.227406028e-02 -5.227406028e-02 6.00 -5.093695914e-02 -5.093695914e-02