# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Co-Mn # implementation = 2025--Sharifi-H--Fe-Co-Mn--LAMMPS--ipr1 # composition = CoFeMn2 # 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 8.994433641e+02 8.994433641e+02 1.00 8.168148715e+02 8.168148715e+02 1.02 7.378972667e+02 7.378972667e+02 1.04 6.636743235e+02 6.636743235e+02 1.06 5.947199109e+02 5.947199109e+02 1.08 5.313002141e+02 5.313002141e+02 1.10 4.734550902e+02 4.734550902e+02 1.12 4.210622109e+02 4.210622109e+02 1.14 3.738872113e+02 3.738872113e+02 1.16 3.316225273e+02 3.316225273e+02 1.18 2.939170468e+02 2.939170468e+02 1.20 2.603984334e+02 2.603984334e+02 1.22 2.306896046e+02 2.306896046e+02 1.24 2.044205805e+02 2.044205805e+02 1.26 1.812367172e+02 1.812367172e+02 1.28 1.608041258e+02 1.608041258e+02 1.30 1.428129447e+02 1.428129447e+02 1.32 1.269789284e+02 1.269789284e+02 1.34 1.130834348e+02 1.130834348e+02 1.36 1.009260828e+02 1.009260828e+02 1.38 9.023838215e+01 9.023838215e+01 1.40 8.080398562e+01 8.080398562e+01 1.42 7.244761540e+01 7.244761540e+01 1.44 6.502479711e+01 6.502479711e+01 1.46 5.841462618e+01 5.841462618e+01 1.48 5.251463896e+01 5.251463896e+01 1.50 4.723713780e+01 4.723713780e+01 1.52 4.250651668e+01 4.250651668e+01 1.54 3.825726802e+01 3.825726802e+01 1.56 3.443245452e+01 3.443245452e+01 1.58 3.098250346e+01 3.098250346e+01 1.60 2.786422396e+01 2.786422396e+01 1.62 2.503998480e+01 2.503998480e+01 1.64 2.247700978e+01 2.247700978e+01 1.66 2.014676391e+01 2.014676391e+01 1.68 1.802441368e+01 1.802441368e+01 1.70 1.608834841e+01 1.608834841e+01 1.72 1.431973382e+01 1.431973382e+01 1.74 1.270209737e+01 1.270209737e+01 1.76 1.122100023e+01 1.122100023e+01 1.78 9.863759652e+00 9.863759652e+00 1.80 8.619206964e+00 8.619206964e+00 1.82 7.477477486e+00 7.477477486e+00 1.84 6.429829461e+00 6.429829461e+00 1.86 5.468487922e+00 5.468487922e+00 1.88 4.586511478e+00 4.586511478e+00 1.90 3.777677086e+00 3.777677086e+00 1.92 3.036375028e+00 3.036375028e+00 1.94 2.357508442e+00 2.357508442e+00 1.96 1.736414477e+00 1.736414477e+00 1.98 1.168790742e+00 1.168790742e+00 2.00 6.506548979e-01 6.506548979e-01 2.02 1.783194550e-01 1.783194550e-01 2.04 -2.516310409e-01 -2.516310409e-01 2.06 -6.423609900e-01 -6.423609900e-01 2.08 -9.968029880e-01 -9.968029880e-01 2.10 -1.317675441e+00 -1.317675441e+00 2.12 -1.607499670e+00 -1.607499670e+00 2.14 -1.868625647e+00 -1.868625647e+00 2.16 -2.103240145e+00 -2.103240145e+00 2.18 -2.313370450e+00 -2.313370450e+00 2.20 -2.500894799e+00 -2.500894799e+00 2.22 -2.667553327e+00 -2.667553327e+00 2.24 -2.814958546e+00 -2.814958546e+00 2.26 -2.944604950e+00 -2.944604950e+00 2.28 -3.057877870e+00 -3.057877870e+00 2.30 -3.156061628e+00 -3.156061628e+00 2.32 -3.240347029e+00 -3.240347029e+00 2.34 -3.311838279e+00 -3.311838279e+00 2.36 -3.371559360e+00 -3.371559360e+00 2.38 -3.420459900e+00 -3.420459900e+00 2.40 -3.459420600e+00 -3.459420600e+00 2.42 -3.489257941e+00 -3.489257941e+00 2.44 -3.510710350e+00 -3.510710350e+00 2.46 -3.524436167e+00 -3.524436167e+00 2.48 -3.531048969e+00 -3.531048969e+00 2.50 -3.531123073e+00 -3.531123073e+00 2.52 -3.525195868e+00 -3.525195868e+00 2.54 -3.513769999e+00 -3.513769999e+00 2.56 -3.497315424e+00 -3.497315424e+00 2.58 -3.476271345e+00 -3.476271345e+00 2.60 -3.451048017e+00 -3.451048017e+00 2.62 -3.422028455e+00 -3.422028455e+00 2.64 -3.389570033e+00 -3.389570033e+00 2.66 -3.354005986e+00 -3.354005986e+00 2.68 -3.315646831e+00 -3.315646831e+00 2.70 -3.274781691e+00 -3.274781691e+00 2.72 -3.231679547e+00 -3.231679547e+00 2.74 -3.186590416e+00 -3.186590416e+00 2.76 -3.139746451e+00 -3.139746451e+00 2.78 -3.091362986e+00 -3.091362986e+00 2.80 -3.041639505e+00 -3.041639505e+00 2.82 -2.990760562e+00 -2.990760562e+00 2.84 -2.938896645e+00 -2.938896645e+00 2.86 -2.886204978e+00 -2.886204978e+00 2.88 -2.832830290e+00 -2.832830290e+00 2.90 -2.778905517e+00 -2.778905517e+00 2.92 -2.724552481e+00 -2.724552481e+00 2.94 -2.669882512e+00 -2.669882512e+00 2.96 -2.614997040e+00 -2.614997040e+00 2.98 -2.559988151e+00 -2.559988151e+00 3.00 -2.504939102e+00 -2.504939102e+00 3.02 -2.449924861e+00 -2.449924861e+00 3.04 -2.395013001e+00 -2.395013001e+00 3.06 -2.340263293e+00 -2.340263293e+00 3.08 -2.285726253e+00 -2.285726253e+00 3.10 -2.231449211e+00 -2.231449211e+00 3.12 -2.177471948e+00 -2.177471948e+00 3.14 -2.123828368e+00 -2.123828368e+00 3.16 -2.070546897e+00 -2.070546897e+00 3.18 -2.017650865e+00 -2.017650865e+00 3.20 -1.965158899e+00 -1.965158899e+00 3.22 -1.913085325e+00 -1.913085325e+00 3.24 -1.861440618e+00 -1.861440618e+00 3.26 -1.810231865e+00 -1.810231865e+00 3.28 -1.759463299e+00 -1.759463299e+00 3.30 -1.709136869e+00 -1.709136869e+00 3.32 -1.659252892e+00 -1.659252892e+00 3.34 -1.609810764e+00 -1.609810764e+00 3.36 -1.560809753e+00 -1.560809753e+00 3.38 -1.512249870e+00 -1.512249870e+00 3.40 -1.464132801e+00 -1.464132801e+00 3.42 -1.416462904e+00 -1.416462904e+00 3.44 -1.369248237e+00 -1.369248237e+00 3.46 -1.322501582e+00 -1.322501582e+00 3.48 -1.276241439e+00 -1.276241439e+00 3.50 -1.230492901e+00 -1.230492901e+00 3.52 -1.185288382e+00 -1.185288382e+00 3.54 -1.140668089e+00 -1.140668089e+00 3.56 -1.096680191e+00 -1.096680191e+00 3.58 -1.053380587e+00 -1.053380587e+00 3.60 -1.010832243e+00 -1.010832243e+00 3.62 -9.691040334e-01 -9.691040334e-01 3.64 -9.282691178e-01 -9.282691178e-01 3.66 -8.884028626e-01 -8.884028626e-01 3.68 -8.495804068e-01 -8.495804068e-01 3.70 -8.118739886e-01 -8.118739886e-01 3.72 -7.753501894e-01 -7.753501894e-01 3.74 -7.400672768e-01 -7.400672768e-01 3.76 -7.060728256e-01 -7.060728256e-01 3.78 -6.734017874e-01 -6.734017874e-01 3.80 -6.420751423e-01 -6.420751423e-01 3.82 -6.120992220e-01 -6.120992220e-01 3.84 -5.834657358e-01 -5.834657358e-01 3.86 -5.561524775e-01 -5.561524775e-01 3.88 -5.301246341e-01 -5.301246341e-01 3.90 -5.053365815e-01 -5.053365815e-01 3.92 -4.817340210e-01 -4.817340210e-01 3.94 -4.592563000e-01 -4.592563000e-01 3.96 -4.378387641e-01 -4.378387641e-01 3.98 -4.174150031e-01 -4.174150031e-01 4.00 -3.979188764e-01 -3.979188764e-01 4.02 -3.792862357e-01 -3.792862357e-01 4.04 -3.614562944e-01 -3.614562944e-01 4.06 -3.443726235e-01 -3.443726235e-01 4.08 -3.279837809e-01 -3.279837809e-01 4.10 -3.122436062e-01 -3.122436062e-01 4.12 -2.971112260e-01 -2.971112260e-01 4.14 -2.825508274e-01 -2.825508274e-01 4.16 -2.685312605e-01 -2.685312605e-01 4.18 -2.550255296e-01 -2.550255296e-01 4.20 -2.420102275e-01 -2.420102275e-01 4.22 -2.294649594e-01 -2.294649594e-01 4.24 -2.173717914e-01 -2.173717914e-01 4.26 -2.056582578e-01 -2.056582578e-01 4.28 -1.931253007e-01 -1.931253007e-01 4.30 -1.742452934e-01 -1.742452934e-01 4.32 -1.301875332e-01 -1.301875332e-01 4.34 -9.973558604e-02 -9.973558604e-02 4.36 -9.191303977e-02 -9.191303977e-02 4.38 -8.440114192e-02 -8.440114192e-02 4.40 -7.719033681e-02 -7.719033681e-02 4.42 -7.027126389e-02 -7.027126389e-02 4.44 -6.363472353e-02 -6.363472353e-02 4.46 -5.727165856e-02 -5.727165856e-02 4.48 -5.117314729e-02 -5.117314729e-02 4.50 -4.533040416e-02 -4.533040416e-02 4.52 -3.973478579e-02 -3.973478579e-02 4.54 -3.437780038e-02 -3.437780038e-02 4.56 -2.925111911e-02 -2.925111911e-02 4.58 -2.434658857e-02 -2.434658857e-02 4.60 -1.965624333e-02 -1.965624333e-02 4.62 -1.517231799e-02 -1.517231799e-02 4.64 -1.088725807e-02 -1.088725807e-02 4.66 -6.793729545e-03 -6.793729545e-03 4.68 -2.884626418e-03 -2.884626418e-03 4.70 8.469237629e-04 8.469237629e-04 4.72 4.407556544e-03 4.407556544e-03 4.74 7.803669496e-03 7.803669496e-03 4.76 1.104142326e-02 1.104142326e-02 4.78 1.412674462e-02 1.412674462e-02 4.80 1.706533145e-02 1.706533145e-02 4.82 1.986265912e-02 1.986265912e-02 4.84 2.252398819e-02 2.252398819e-02 4.86 2.505437315e-02 2.505437315e-02 4.88 2.745867161e-02 2.745867161e-02 4.90 2.974155404e-02 2.974155404e-02 4.92 3.180490021e-02 3.180490021e-02 4.94 3.223583145e-02 3.223583145e-02 4.96 2.716822138e-02 2.716822138e-02 4.98 1.310210926e-02 1.310210926e-02 5.00 -7.602008675e-23 -7.444061821e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00