# 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 = AlCoNi2 # 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 2.234640034e+02 2.234640034e+02 1.10 2.063874832e+02 2.063874832e+02 1.12 1.903262735e+02 1.903262735e+02 1.14 1.754493384e+02 1.754493384e+02 1.16 1.619725005e+02 1.619725005e+02 1.18 1.494538741e+02 1.494538741e+02 1.20 1.383599867e+02 1.383599867e+02 1.22 1.276740838e+02 1.276740838e+02 1.24 1.176959428e+02 1.176959428e+02 1.26 1.086889354e+02 1.086890162e+02 1.28 1.003127984e+02 1.003127984e+02 1.30 9.257703946e+01 9.257703946e+01 1.32 8.525855828e+01 8.525855828e+01 1.34 7.880157035e+01 7.880157035e+01 1.36 7.250513488e+01 7.250513488e+01 1.38 6.670589433e+01 6.670589433e+01 1.40 6.131004018e+01 6.131004018e+01 1.42 5.631362876e+01 5.631362876e+01 1.44 5.199581392e+01 5.199581392e+01 1.46 4.790705609e+01 4.790705609e+01 1.48 4.387913716e+01 4.387913716e+01 1.50 4.014730488e+01 4.014730488e+01 1.52 3.679579850e+01 3.679579850e+01 1.54 3.379672933e+01 3.379672933e+01 1.56 3.079446593e+01 3.079446593e+01 1.58 2.805070431e+01 2.805070431e+01 1.60 2.546910048e+01 2.546910048e+01 1.62 2.307695592e+01 2.307695592e+01 1.64 2.086047633e+01 2.086047633e+01 1.66 1.890960977e+01 1.890960977e+01 1.68 1.710446260e+01 1.710446260e+01 1.70 1.532377675e+01 1.532377675e+01 1.72 1.367523563e+01 1.367523563e+01 1.74 1.225932138e+01 1.225932138e+01 1.76 1.083785757e+01 1.083785757e+01 1.78 9.523212830e+00 9.523212830e+00 1.80 8.307849397e+00 8.307849397e+00 1.82 7.322188241e+00 7.322188241e+00 1.84 6.273127036e+00 6.273127036e+00 1.86 5.520672919e+00 5.520672919e+00 1.88 4.609370223e+00 4.609370223e+00 1.90 3.769518360e+00 3.769518360e+00 1.92 2.996108792e+00 2.996108792e+00 1.94 2.340669036e+00 2.340669036e+00 1.96 1.682068671e+00 1.682068671e+00 1.98 1.077267124e+00 1.077267124e+00 2.00 5.224985527e-01 5.224985527e-01 2.02 1.425968618e-02 1.425968618e-02 2.04 -4.507095522e-01 -4.507095522e-01 2.06 -8.754438687e-01 -8.754438687e-01 2.08 -1.262769002e+00 -1.262769002e+00 2.10 -1.518503000e+00 -1.518504939e+00 2.12 -1.792962685e+00 -1.792962685e+00 2.14 -2.093786177e+00 -2.093786177e+00 2.16 -2.365907366e+00 -2.365907366e+00 2.18 -2.611369912e+00 -2.611369912e+00 2.20 -2.832079060e+00 -2.832079060e+00 2.22 -3.029811285e+00 -3.029811285e+00 2.24 -3.093815386e+00 -3.093815386e+00 2.26 -3.258199557e+00 -3.258199557e+00 2.28 -3.403715554e+00 -3.403715554e+00 2.30 -3.531744314e+00 -3.531744314e+00 2.32 -3.643574073e+00 -3.643574073e+00 2.34 -3.740406637e+00 -3.740406637e+00 2.36 -3.823363210e+00 -3.823363210e+00 2.38 -3.893489802e+00 -3.893489802e+00 2.40 -3.951762265e+00 -3.951762265e+00 2.42 -3.999090973e+00 -3.999090973e+00 2.44 -3.925741245e+00 -3.925741245e+00 2.46 -3.960841969e+00 -3.960841969e+00 2.48 -3.986916450e+00 -3.986916450e+00 2.50 -4.004683362e+00 -4.004683362e+00 2.52 -3.905343828e+00 -3.905343828e+00 2.54 -3.915356921e+00 -3.915356921e+00 2.56 -3.918508002e+00 -3.918508002e+00 2.58 -3.915367323e+00 -3.915367323e+00 2.60 -3.906466565e+00 -3.906466565e+00 2.62 -3.892301331e+00 -3.892301331e+00 2.64 -3.873333480e+00 -3.873333480e+00 2.66 -3.849993307e+00 -3.849993307e+00 2.68 -3.822681581e+00 -3.822681581e+00 2.70 -3.791771448e+00 -3.791771448e+00 2.72 -3.757610214e+00 -3.757610214e+00 2.74 -3.692136753e+00 -3.692136753e+00 2.76 -3.654027821e+00 -3.654027821e+00 2.78 -3.613479737e+00 -3.613479737e+00 2.80 -3.570757201e+00 -3.570757201e+00 2.82 -3.526106117e+00 -3.526106117e+00 2.84 -3.479754804e+00 -3.479754804e+00 2.86 -3.431915129e+00 -3.431915129e+00 2.88 -3.382783569e+00 -3.382783569e+00 2.90 -3.332542208e+00 -3.332542208e+00 2.92 -3.281359667e+00 -3.281359667e+00 2.94 -3.229391976e+00 -3.229391976e+00 2.96 -3.176783396e+00 -3.176783396e+00 2.98 -3.123667181e+00 -3.123667181e+00 3.00 -3.070166298e+00 -3.070166298e+00 3.02 -3.016394100e+00 -3.016394100e+00 3.04 -2.962454955e+00 -2.962454955e+00 3.06 -2.908444840e+00 -2.908444840e+00 3.08 -2.854451893e+00 -2.854451893e+00 3.10 -2.800556929e+00 -2.800556929e+00 3.12 -2.746833934e+00 -2.746833934e+00 3.14 -2.693350514e+00 -2.693350514e+00 3.16 -2.604249005e+00 -2.604249005e+00 3.18 -2.553241538e+00 -2.553241538e+00 3.20 -2.502550779e+00 -2.502550779e+00 3.22 -2.452227407e+00 -2.452227407e+00 3.24 -2.402317388e+00 -2.402317388e+00 3.26 -2.352862287e+00 -2.352862287e+00 3.28 -2.303899575e+00 -2.303899575e+00 3.30 -2.142713921e+00 -2.142713921e+00 3.32 -2.100278286e+00 -2.100278286e+00 3.34 -2.058163736e+00 -2.058163736e+00 3.36 -2.016406460e+00 -2.016406460e+00 3.38 -1.975039210e+00 -1.975039210e+00 3.40 -1.934091527e+00 -1.934091527e+00 3.42 -1.893589957e+00 -1.893589957e+00 3.44 -1.853558254e+00 -1.853558254e+00 3.46 -1.814017568e+00 -1.814017568e+00 3.48 -1.774986628e+00 -1.774986628e+00 3.50 -1.736481903e+00 -1.736481903e+00 3.52 -1.698517767e+00 -1.698517767e+00 3.54 -1.661106642e+00 -1.661106642e+00 3.56 -1.624259135e+00 -1.624259135e+00 3.58 -1.587984175e+00 -1.587984175e+00 3.60 -1.552289129e+00 -1.552289129e+00 3.62 -1.517179919e+00 -1.517179919e+00 3.64 -1.482661131e+00 -1.482661131e+00 3.66 -1.448736111e+00 -1.448736111e+00 3.68 -1.415407066e+00 -1.415407066e+00 3.70 -1.382675149e+00 -1.382675149e+00 3.72 -1.350540539e+00 -1.350540539e+00 3.74 -1.319002526e+00 -1.319002526e+00 3.76 -1.288059578e+00 -1.288059578e+00 3.78 -1.257709412e+00 -1.257709412e+00 3.80 -1.227949054e+00 -1.227949054e+00 3.82 -1.198774905e+00 -1.198774905e+00 3.84 -1.170182792e+00 -1.170182792e+00 3.86 -1.083623276e+00 -1.083623276e+00 3.88 -1.058545391e+00 -1.058545391e+00 3.90 -1.033938601e+00 -1.033938601e+00 3.92 -1.009800758e+00 -1.009800758e+00 3.94 -9.861292209e-01 -9.861292209e-01 3.96 -9.629208966e-01 -9.629208966e-01 3.98 -9.401722778e-01 -9.401722778e-01 4.00 -9.178794827e-01 -9.178794827e-01 4.02 -8.960382886e-01 -8.960382886e-01 4.04 -8.746441655e-01 -8.746441655e-01 4.06 -8.536923058e-01 -8.536923058e-01 4.08 -8.331776534e-01 -8.331776534e-01 4.10 -8.130949303e-01 -8.130949303e-01 4.12 -7.934386612e-01 -7.934386612e-01 4.14 -7.742031968e-01 -7.742031968e-01 4.16 -7.553827359e-01 -7.553827359e-01 4.18 -7.369713446e-01 -7.369713446e-01 4.20 -7.189629761e-01 -7.189629761e-01 4.22 -7.013514873e-01 -7.013514873e-01 4.24 -6.841306556e-01 -6.841306556e-01 4.26 -6.672941935e-01 -6.672941935e-01 4.28 -6.508357630e-01 -6.508357630e-01 4.30 -6.347489881e-01 -6.347489881e-01 4.32 -6.190274673e-01 -6.190274673e-01 4.34 -6.036647841e-01 -6.036647841e-01 4.36 -5.886545176e-01 -5.886545176e-01 4.38 -5.739902519e-01 -5.739902519e-01 4.40 -5.596655847e-01 -5.596655847e-01 4.42 -5.456741353e-01 -5.456741353e-01 4.44 -5.320095520e-01 -5.320095520e-01 4.46 -5.186655186e-01 -5.186655186e-01 4.48 -5.056357610e-01 -5.056357610e-01 4.50 -4.929140522e-01 -4.929140522e-01 4.52 -4.804942178e-01 -4.804942178e-01 4.54 -4.683701406e-01 -4.683701406e-01 4.56 -4.565357646e-01 -4.565357646e-01 4.58 -4.449850988e-01 -4.449850988e-01 4.60 -4.337122207e-01 -4.337122207e-01 4.62 -4.227112793e-01 -4.227112793e-01 4.64 -4.119764975e-01 -4.119764975e-01 4.66 -4.015021750e-01 -4.015021750e-01 4.68 -3.912826896e-01 -3.912826896e-01 4.70 -3.813124999e-01 -3.813124999e-01 4.72 -3.715861460e-01 -3.715861460e-01 4.74 -3.620982516e-01 -3.620982516e-01 4.76 -3.528435242e-01 -3.528435242e-01 4.78 -3.438167568e-01 -3.438167568e-01 4.80 -3.350128282e-01 -3.350128282e-01 4.82 -3.264267033e-01 -3.264267033e-01 4.84 -3.180534341e-01 -3.180534341e-01 4.86 -3.098881592e-01 -3.098881592e-01 4.88 -3.019261044e-01 -3.019261044e-01 4.90 -2.941625823e-01 -2.941625823e-01 4.92 -2.865929922e-01 -2.865929922e-01 4.94 -2.792128200e-01 -2.792128200e-01 4.96 -2.720176375e-01 -2.720176375e-01 4.98 -2.650031022e-01 -2.650031022e-01 5.00 -2.581649565e-01 -2.581649565e-01 5.02 -2.514990272e-01 -2.514990272e-01 5.04 -2.450012248e-01 -2.450012248e-01 5.06 -2.386675428e-01 -2.386675428e-01 5.08 -2.324940565e-01 -2.324940565e-01 5.10 -2.264769226e-01 -2.264769226e-01 5.12 -2.206123780e-01 -2.206123780e-01 5.14 -2.148967387e-01 -2.148967387e-01 5.16 -2.093263994e-01 -2.093263994e-01 5.18 -2.038978316e-01 -2.038978316e-01 5.20 -1.986075833e-01 -1.986075833e-01 5.22 -1.934522775e-01 -1.934522775e-01 5.24 -1.884286111e-01 -1.884286111e-01 5.26 -1.835333540e-01 -1.835333540e-01 5.28 -1.787633478e-01 -1.787633478e-01 5.30 -1.741155047e-01 -1.741155047e-01 5.32 -1.695868061e-01 -1.695868061e-01 5.34 -1.651743019e-01 -1.651743019e-01 5.36 -1.608751088e-01 -1.608751088e-01 5.38 -1.566864098e-01 -1.566864098e-01 5.40 -1.526054521e-01 -1.526054521e-01 5.42 -1.486295467e-01 -1.486295467e-01 5.44 -1.447560670e-01 -1.447560670e-01 5.46 -1.135014373e-01 -1.135014373e-01 5.48 -1.106366216e-01 -1.106366216e-01 5.50 -1.078428631e-01 -1.078428631e-01 5.52 -1.051184667e-01 -1.051184667e-01 5.54 -1.024617744e-01 -1.024617744e-01 5.56 -9.987116392e-02 -9.987116392e-02 5.58 -9.734504898e-02 -9.734504898e-02 5.60 -9.488187817e-02 -9.488187817e-02 5.62 -9.248013449e-02 -9.248013449e-02 5.64 -9.013833478e-02 -9.013833478e-02 5.66 -8.785502905e-02 -8.785502905e-02 5.68 -8.562879995e-02 -8.562879995e-02 5.70 -8.345826208e-02 -8.345826208e-02 5.72 -8.134206151e-02 -8.134206151e-02 5.74 -7.927887509e-02 -7.927887509e-02 5.76 -7.726740992e-02 -7.726740992e-02 5.78 -7.530640272e-02 -7.530640272e-02 5.80 -7.339461932e-02 -7.339461932e-02 5.82 -7.153085402e-02 -7.153085402e-02 5.84 -6.971392906e-02 -6.971392906e-02 5.86 -6.794269405e-02 -6.794269405e-02 5.88 -6.621602541e-02 -6.621602541e-02 5.90 -6.453282586e-02 -6.453282586e-02 5.92 -6.289202381e-02 -6.289202381e-02 5.94 -6.129257288e-02 -6.129257288e-02 5.96 -5.973345136e-02 -5.973345136e-02 5.98 -5.821366169e-02 -5.821366169e-02 6.00 -5.673222994e-02 -5.673222994e-02