# 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 = Co2MnNi # 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 2.064874625e+02 2.064874625e+02 1.10 1.901538120e+02 1.901538120e+02 1.12 1.749069476e+02 1.749069476e+02 1.14 1.608331514e+02 1.608331514e+02 1.16 1.480442482e+02 1.480442482e+02 1.18 1.362089211e+02 1.362089211e+02 1.20 1.256257698e+02 1.256257698e+02 1.22 1.155628550e+02 1.155628550e+02 1.24 1.062129089e+02 1.062129089e+02 1.26 9.773763088e+01 9.773764631e+01 1.28 8.987970831e+01 8.987970831e+01 1.30 8.263230396e+01 8.263230396e+01 1.32 7.583250022e+01 7.583250022e+01 1.34 6.977239939e+01 6.977239939e+01 1.36 6.395129868e+01 6.395129868e+01 1.38 5.859363778e+01 5.859363778e+01 1.40 5.362596282e+01 5.362596282e+01 1.42 4.903596012e+01 4.903596012e+01 1.44 4.500358905e+01 4.500358905e+01 1.46 4.121459028e+01 4.121459028e+01 1.48 3.755087064e+01 3.755087064e+01 1.50 3.416486253e+01 3.416486253e+01 1.52 3.111074641e+01 3.111074641e+01 1.54 2.835682054e+01 2.835682054e+01 1.56 2.566017580e+01 2.566017580e+01 1.58 2.319408913e+01 2.319408913e+01 1.60 2.088933436e+01 2.088933436e+01 1.62 1.876027707e+01 1.876027707e+01 1.64 1.679386093e+01 1.679386093e+01 1.66 1.505059431e+01 1.505059431e+01 1.68 1.343947501e+01 1.343947501e+01 1.70 1.187887460e+01 1.187887460e+01 1.72 1.043947142e+01 1.043947142e+01 1.74 9.185741717e+00 9.185741717e+00 1.76 7.955866789e+00 7.955866789e+00 1.78 6.823243824e+00 6.823243824e+00 1.80 5.780810063e+00 5.780810063e+00 1.82 4.919468871e+00 4.919468871e+00 1.84 4.029477093e+00 4.029477093e+00 1.86 3.358464329e+00 3.358464329e+00 1.88 2.595735027e+00 2.595735027e+00 1.90 1.896797452e+00 1.896797452e+00 1.92 1.257018931e+00 1.257018931e+00 1.94 7.096602466e-01 7.096602466e-01 1.96 1.724099082e-01 1.724099082e-01 1.98 -3.173915179e-01 -3.173915179e-01 2.00 -7.632024958e-01 -7.632024958e-01 2.02 -1.168234635e+00 -1.168234635e+00 2.04 -1.535471123e+00 -1.535471123e+00 2.06 -1.867683669e+00 -1.867683669e+00 2.08 -2.167448095e+00 -2.167448095e+00 2.10 -2.371304878e+00 -2.371305248e+00 2.12 -2.582493204e+00 -2.582493204e+00 2.14 -2.806224394e+00 -2.806224394e+00 2.16 -3.005525199e+00 -3.005525199e+00 2.18 -3.182232651e+00 -3.182232651e+00 2.20 -3.338055264e+00 -3.338055264e+00 2.22 -3.474582159e+00 -3.474582159e+00 2.24 -3.518141818e+00 -3.518141818e+00 2.26 -3.626003455e+00 -3.626003455e+00 2.28 -3.718286563e+00 -3.718286563e+00 2.30 -3.796211627e+00 -3.796211627e+00 2.32 -3.860913899e+00 -3.860913899e+00 2.34 -3.913449304e+00 -3.913449304e+00 2.36 -3.954799930e+00 -3.954799930e+00 2.38 -3.985879114e+00 -3.985879114e+00 2.40 -4.007536170e+00 -4.007536170e+00 2.42 -4.020560779e+00 -4.020560779e+00 2.44 -3.947241808e+00 -3.947241808e+00 2.46 -3.950501631e+00 -3.950501631e+00 2.48 -3.946816158e+00 -3.946816158e+00 2.50 -3.936799079e+00 -3.936799079e+00 2.52 -3.846790887e+00 -3.846790887e+00 2.54 -3.830717880e+00 -3.830717880e+00 2.56 -3.809577443e+00 -3.809577443e+00 2.58 -3.783847554e+00 -3.783847554e+00 2.60 -3.753971884e+00 -3.753971884e+00 2.62 -3.720362103e+00 -3.720362103e+00 2.64 -3.683400040e+00 -3.683400040e+00 2.66 -3.643439682e+00 -3.643439682e+00 2.68 -3.600809054e+00 -3.600809054e+00 2.70 -3.555811965e+00 -3.555811965e+00 2.72 -3.508729635e+00 -3.508729635e+00 2.74 -3.440830289e+00 -3.440830289e+00 2.76 -3.391500837e+00 -3.391500837e+00 2.78 -3.340738119e+00 -3.340738119e+00 2.80 -3.288751557e+00 -3.288751557e+00 2.82 -3.235734399e+00 -3.235734399e+00 2.84 -3.181864811e+00 -3.181864811e+00 2.86 -3.127306905e+00 -3.127306905e+00 2.88 -3.072211691e+00 -3.072211691e+00 2.90 -3.016717972e+00 -3.016717972e+00 2.92 -2.960953178e+00 -2.960953178e+00 2.94 -2.905034148e+00 -2.905034148e+00 2.96 -2.849067854e+00 -2.849067854e+00 2.98 -2.793152088e+00 -2.793152088e+00 3.00 -2.737376091e+00 -2.737376091e+00 3.02 -2.681821156e+00 -2.681821156e+00 3.04 -2.626561175e+00 -2.626561175e+00 3.06 -2.571663167e+00 -2.571663167e+00 3.08 -2.517187755e+00 -2.517187755e+00 3.10 -2.463189626e+00 -2.463189626e+00 3.12 -2.409717949e+00 -2.409717949e+00 3.14 -2.356816776e+00 -2.356816776e+00 3.16 -2.279080681e+00 -2.279080681e+00 3.18 -2.228788807e+00 -2.228788807e+00 3.20 -2.179100579e+00 -2.179100579e+00 3.22 -2.130046817e+00 -2.130046817e+00 3.24 -2.081654648e+00 -2.081654648e+00 3.26 -2.033947773e+00 -2.033947773e+00 3.28 -1.986946728e+00 -1.986946728e+00 3.30 -1.864084618e+00 -1.864084618e+00 3.32 -1.822452437e+00 -1.822452437e+00 3.34 -1.781372401e+00 -1.781372401e+00 3.36 -1.740864624e+00 -1.740864624e+00 3.38 -1.700946596e+00 -1.700946596e+00 3.40 -1.661633377e+00 -1.661633377e+00 3.42 -1.622937778e+00 -1.622937778e+00 3.44 -1.584870529e+00 -1.584870529e+00 3.46 -1.547440439e+00 -1.547440439e+00 3.48 -1.510654542e+00 -1.510654542e+00 3.50 -1.474518234e+00 -1.474518234e+00 3.52 -1.439035406e+00 -1.439035406e+00 3.54 -1.404208562e+00 -1.404208562e+00 3.56 -1.370038931e+00 -1.370038931e+00 3.58 -1.336526574e+00 -1.336526574e+00 3.60 -1.303670483e+00 -1.303670483e+00 3.62 -1.271468670e+00 -1.271468670e+00 3.64 -1.239918254e+00 -1.239918254e+00 3.66 -1.209015543e+00 -1.209015543e+00 3.68 -1.178756105e+00 -1.178756105e+00 3.70 -1.149134837e+00 -1.149134837e+00 3.72 -1.120146035e+00 -1.120146035e+00 3.74 -1.091783448e+00 -1.091783448e+00 3.76 -1.064040337e+00 -1.064040337e+00 3.78 -1.036909525e+00 -1.036909525e+00 3.80 -1.010383449e+00 -1.010383449e+00 3.82 -9.844542002e-01 -9.844542002e-01 3.84 -9.591135704e-01 -9.591135704e-01 3.86 -8.950803339e-01 -8.950803339e-01 3.88 -8.726065046e-01 -8.726065046e-01 3.90 -8.506206033e-01 -8.506206033e-01 3.92 -8.291167953e-01 -8.291167953e-01 3.94 -8.080889736e-01 -8.080889736e-01 3.96 -7.875307913e-01 -7.875307913e-01 3.98 -7.674356912e-01 -7.674356912e-01 4.00 -7.477969329e-01 -7.477969329e-01 4.02 -7.286076188e-01 -7.286076188e-01 4.04 -7.098607174e-01 -7.098607174e-01 4.06 -6.915490856e-01 -6.915490856e-01 4.08 -6.736654885e-01 -6.736654885e-01 4.10 -6.562026189e-01 -6.562026189e-01 4.12 -6.391531141e-01 -6.391531141e-01 4.14 -6.225095720e-01 -6.225095720e-01 4.16 -6.062645662e-01 -6.062645662e-01 4.18 -5.904106590e-01 -5.904106590e-01 4.20 -5.749404146e-01 -5.749404146e-01 4.22 -5.598464098e-01 -5.598464098e-01 4.24 -5.451212453e-01 -5.451212453e-01 4.26 -5.307575546e-01 -5.307575546e-01 4.28 -5.167480132e-01 -5.167480132e-01 4.30 -5.030853463e-01 -5.030853463e-01 4.32 -4.897623363e-01 -4.897623363e-01 4.34 -4.767718292e-01 -4.767718292e-01 4.36 -4.641067405e-01 -4.641067405e-01 4.38 -4.517600606e-01 -4.517600606e-01 4.40 -4.397248596e-01 -4.397248596e-01 4.42 -4.279942913e-01 -4.279942913e-01 4.44 -4.165615976e-01 -4.165615976e-01 4.46 -4.054201110e-01 -4.054201110e-01 4.48 -3.945632581e-01 -3.945632581e-01 4.50 -3.839845621e-01 -3.839845621e-01 4.52 -3.736776445e-01 -3.736776445e-01 4.54 -3.636362275e-01 -3.636362275e-01 4.56 -3.538541352e-01 -3.538541352e-01 4.58 -3.443252951e-01 -3.443252951e-01 4.60 -3.350437388e-01 -3.350437388e-01 4.62 -3.260036028e-01 -3.260036028e-01 4.64 -3.171991293e-01 -3.171991293e-01 4.66 -3.086246660e-01 -3.086246660e-01 4.68 -3.002746669e-01 -3.002746669e-01 4.70 -2.921436916e-01 -2.921436916e-01 4.72 -2.842264053e-01 -2.842264053e-01 4.74 -2.765175786e-01 -2.765175786e-01 4.76 -2.690120869e-01 -2.690120869e-01 4.78 -2.617049097e-01 -2.617049097e-01 4.80 -2.545911300e-01 -2.545911300e-01 4.82 -2.476659334e-01 -2.476659334e-01 4.84 -2.409246070e-01 -2.409246070e-01 4.86 -2.343625389e-01 -2.343625389e-01 4.88 -2.279752165e-01 -2.279752165e-01 4.90 -2.217582257e-01 -2.217582257e-01 4.92 -2.157072498e-01 -2.157072498e-01 4.94 -2.098180680e-01 -2.098180680e-01 4.96 -2.040865541e-01 -2.040865541e-01 4.98 -1.985086753e-01 -1.985086753e-01 5.00 -1.930804907e-01 -1.930804907e-01 5.02 -1.877981501e-01 -1.877981501e-01 5.04 -1.826578921e-01 -1.826578921e-01 5.06 -1.776560433e-01 -1.776560433e-01 5.08 -1.727890162e-01 -1.727890162e-01 5.10 -1.680533082e-01 -1.680533082e-01 5.12 -1.634454997e-01 -1.634454997e-01 5.14 -1.589622529e-01 -1.589622529e-01 5.16 -1.546003102e-01 -1.546003102e-01 5.18 -1.503564926e-01 -1.503564926e-01 5.20 -1.462276984e-01 -1.462276984e-01 5.22 -1.422109013e-01 -1.422109013e-01 5.24 -1.383031495e-01 -1.383031495e-01 5.26 -1.345015635e-01 -1.345015635e-01 5.28 -1.308033354e-01 -1.308033354e-01 5.30 -1.272057268e-01 -1.272057268e-01 5.32 -1.237060674e-01 -1.237060674e-01 5.34 -1.203017540e-01 -1.203017540e-01 5.36 -1.169902487e-01 -1.169902487e-01 5.38 -1.137690776e-01 -1.137690776e-01 5.40 -1.106358291e-01 -1.106358291e-01 5.42 -1.075881533e-01 -1.075881533e-01 5.44 -1.046237596e-01 -1.046237596e-01 5.46 -8.225240576e-02 -8.225240576e-02 5.48 -8.005385217e-02 -8.005385217e-02 5.50 -7.791329026e-02 -7.791329026e-02 5.52 -7.582923229e-02 -7.582923229e-02 5.54 -7.380022639e-02 -7.380022639e-02 5.56 -7.182485583e-02 -7.182485583e-02 5.58 -6.990173827e-02 -6.990173827e-02 5.60 -6.802952505e-02 -6.802952505e-02 5.62 -6.620690051e-02 -6.620690051e-02 5.64 -6.443258123e-02 -6.443258123e-02 5.66 -6.270531539e-02 -6.270531539e-02 5.68 -6.102388203e-02 -6.102388203e-02 5.70 -5.938709044e-02 -5.938709044e-02 5.72 -5.779377943e-02 -5.779377943e-02 5.74 -5.624281671e-02 -5.624281671e-02 5.76 -5.473309824e-02 -5.473309824e-02 5.78 -5.326354760e-02 -5.326354760e-02 5.80 -5.183311535e-02 -5.183311535e-02 5.82 -5.044077839e-02 -5.044077839e-02 5.84 -4.908553944e-02 -4.908553944e-02 5.86 -4.776642634e-02 -4.776642634e-02 5.88 -4.648249156e-02 -4.648249156e-02 5.90 -4.523281155e-02 -4.523281155e-02 5.92 -4.401648625e-02 -4.401648625e-02 5.94 -4.283263846e-02 -4.283263846e-02 5.96 -4.168041337e-02 -4.168041337e-02 5.98 -4.055897798e-02 -4.055897798e-02 6.00 -3.946752062e-02 -3.946752062e-02