# 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 = CoCrNi2 # 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 2.202355745e+02 2.202355745e+02 1.10 2.027443306e+02 2.027443306e+02 1.12 1.864231936e+02 1.864231936e+02 1.14 1.713617360e+02 1.713617360e+02 1.16 1.576755875e+02 1.576755875e+02 1.18 1.450132349e+02 1.450132349e+02 1.20 1.336888283e+02 1.336888283e+02 1.22 1.229272633e+02 1.229272633e+02 1.24 1.129315731e+02 1.129315731e+02 1.26 1.038711555e+02 1.038711514e+02 1.28 9.547283265e+01 9.547283265e+01 1.30 8.772851807e+01 8.772851807e+01 1.32 8.046599822e+01 8.046599822e+01 1.34 7.399269645e+01 7.399269645e+01 1.36 6.777874800e+01 6.777874800e+01 1.38 6.206073212e+01 6.206073212e+01 1.40 5.676063226e+01 5.676063226e+01 1.42 5.186484360e+01 5.186484360e+01 1.44 4.756260103e+01 4.756260103e+01 1.46 4.352164304e+01 4.352164304e+01 1.48 3.961771814e+01 3.961771814e+01 1.50 3.601087098e+01 3.601087098e+01 1.52 3.275812857e+01 3.275812857e+01 1.54 2.982517208e+01 2.982517208e+01 1.56 2.695575698e+01 2.695575698e+01 1.58 2.433236659e+01 2.433236659e+01 1.60 2.188184495e+01 2.188184495e+01 1.62 1.961905294e+01 1.961905294e+01 1.64 1.753000469e+01 1.753000469e+01 1.66 1.567855146e+01 1.567855146e+01 1.68 1.396802374e+01 1.396802374e+01 1.70 1.231242875e+01 1.231242875e+01 1.72 1.078618349e+01 1.078618349e+01 1.74 9.456974661e+00 9.456974661e+00 1.76 8.154352774e+00 8.154352774e+00 1.78 6.955441664e+00 6.955441664e+00 1.80 5.852683978e+00 5.852683978e+00 1.82 4.942186215e+00 4.942186215e+00 1.84 4.001926828e+00 4.001926828e+00 1.86 3.293383217e+00 3.293383217e+00 1.88 2.488752753e+00 2.488752753e+00 1.90 1.752029018e+00 1.752029018e+00 1.92 1.078259988e+00 1.078259988e+00 1.94 5.023779824e-01 5.023779824e-01 1.96 -6.231293948e-02 -6.231293948e-02 1.98 -5.765647955e-01 -5.765647955e-01 2.00 -1.044071524e+00 -1.044071524e+00 2.02 -1.468262704e+00 -1.468262704e+00 2.04 -1.852323327e+00 -1.852323327e+00 2.06 -2.199211963e+00 -2.199211963e+00 2.08 -2.511677481e+00 -2.511677481e+00 2.10 -2.722803012e+00 -2.722802912e+00 2.12 -2.941555501e+00 -2.941555501e+00 2.14 -3.173421574e+00 -3.173421574e+00 2.16 -3.379418720e+00 -3.379418720e+00 2.18 -3.561505040e+00 -3.561505040e+00 2.20 -3.721501164e+00 -3.721501164e+00 2.22 -3.861100026e+00 -3.861100026e+00 2.24 -3.902790516e+00 -3.902790516e+00 2.26 -4.012111604e+00 -4.012111604e+00 2.28 -4.104995831e+00 -4.104995831e+00 2.30 -4.182741820e+00 -4.182741820e+00 2.32 -4.246557118e+00 -4.246557118e+00 2.34 -4.297564526e+00 -4.297564526e+00 2.36 -4.336807978e+00 -4.336807978e+00 2.38 -4.365257990e+00 -4.365257990e+00 2.40 -4.383816719e+00 -4.383816719e+00 2.42 -4.393322670e+00 -4.393322670e+00 2.44 -4.311551764e+00 -4.311551764e+00 2.46 -4.310910213e+00 -4.310910213e+00 2.48 -4.303004840e+00 -4.303004840e+00 2.50 -4.288486401e+00 -4.288486401e+00 2.52 -4.189667973e+00 -4.189667973e+00 2.54 -4.168919059e+00 -4.168919059e+00 2.56 -4.142895502e+00 -4.142895502e+00 2.58 -4.112103384e+00 -4.112103384e+00 2.60 -4.077012230e+00 -4.077012230e+00 2.62 -4.038057477e+00 -4.038057477e+00 2.64 -3.995642774e+00 -3.995642774e+00 2.66 -3.950142132e+00 -3.950142132e+00 2.68 -3.901901925e+00 -3.901901925e+00 2.70 -3.851242758e+00 -3.851242758e+00 2.72 -3.798461213e+00 -3.798461213e+00 2.74 -3.723844267e+00 -3.723844267e+00 2.76 -3.668846493e+00 -3.668846493e+00 2.78 -3.612412601e+00 -3.612412601e+00 2.80 -3.554762851e+00 -3.554762851e+00 2.82 -3.496100325e+00 -3.496100325e+00 2.84 -3.436612095e+00 -3.436612095e+00 2.86 -3.376470314e+00 -3.376470314e+00 2.88 -3.315833239e+00 -3.315833239e+00 2.90 -3.254846182e+00 -3.254846182e+00 2.92 -3.193642399e+00 -3.193642399e+00 2.94 -3.132343923e+00 -3.132343923e+00 2.96 -3.071062341e+00 -3.071062341e+00 2.98 -3.009899516e+00 -3.009899516e+00 3.00 -2.948948270e+00 -2.948948270e+00 3.02 -2.888293013e+00 -2.888293013e+00 3.04 -2.828010337e+00 -2.828010337e+00 3.06 -2.768169566e+00 -2.768169566e+00 3.08 -2.708833276e+00 -2.708833276e+00 3.10 -2.650057774e+00 -2.650057774e+00 3.12 -2.591893552e+00 -2.591893552e+00 3.14 -2.534385703e+00 -2.534385703e+00 3.16 -2.450653202e+00 -2.450653202e+00 3.18 -2.396011044e+00 -2.396011044e+00 3.20 -2.342055491e+00 -2.342055491e+00 3.22 -2.288817770e+00 -2.288817770e+00 3.24 -2.236325223e+00 -2.236325223e+00 3.26 -2.184601596e+00 -2.184601596e+00 3.28 -2.133667311e+00 -2.133667311e+00 3.30 -2.002755532e+00 -2.002755532e+00 3.32 -1.957585176e+00 -1.957585176e+00 3.34 -1.913036904e+00 -1.913036904e+00 3.36 -1.869130885e+00 -1.869130885e+00 3.38 -1.825884535e+00 -1.825884535e+00 3.40 -1.783312719e+00 -1.783312719e+00 3.42 -1.741427947e+00 -1.741427947e+00 3.44 -1.700240547e+00 -1.700240547e+00 3.46 -1.659758838e+00 -1.659758838e+00 3.48 -1.619989283e+00 -1.619989283e+00 3.50 -1.580936639e+00 -1.580936639e+00 3.52 -1.542604088e+00 -1.542604088e+00 3.54 -1.504993371e+00 -1.504993371e+00 3.56 -1.468104901e+00 -1.468104901e+00 3.58 -1.431937880e+00 -1.431937880e+00 3.60 -1.396490399e+00 -1.396490399e+00 3.62 -1.361759538e+00 -1.361759538e+00 3.64 -1.327741452e+00 -1.327741452e+00 3.66 -1.294431459e+00 -1.294431459e+00 3.68 -1.261824117e+00 -1.261824117e+00 3.70 -1.229913298e+00 -1.229913298e+00 3.72 -1.198692252e+00 -1.198692252e+00 3.74 -1.168153678e+00 -1.168153678e+00 3.76 -1.138289774e+00 -1.138289774e+00 3.78 -1.109092298e+00 -1.109092298e+00 3.80 -1.080552616e+00 -1.080552616e+00 3.82 -1.052661750e+00 -1.052661750e+00 3.84 -1.025410422e+00 -1.025410422e+00 3.86 -9.574542623e-01 -9.574542623e-01 3.88 -9.332635534e-01 -9.332635534e-01 3.90 -9.096041213e-01 -9.096041213e-01 3.92 -8.864692839e-01 -8.864692839e-01 3.94 -8.638520868e-01 -8.638520868e-01 3.96 -8.417453365e-01 -8.417453365e-01 3.98 -8.201416315e-01 -8.201416315e-01 4.00 -7.990333909e-01 -7.990333909e-01 4.02 -7.784128815e-01 -7.784128815e-01 4.04 -7.582722420e-01 -7.582722420e-01 4.06 -7.386035061e-01 -7.386035061e-01 4.08 -7.193986237e-01 -7.193986237e-01 4.10 -7.006494804e-01 -7.006494804e-01 4.12 -6.823479156e-01 -6.823479156e-01 4.14 -6.644857389e-01 -6.644857389e-01 4.16 -6.470547457e-01 -6.470547457e-01 4.18 -6.300467311e-01 -6.300467311e-01 4.20 -6.134535026e-01 -6.134535026e-01 4.22 -5.972668925e-01 -5.972668925e-01 4.24 -5.814787679e-01 -5.814787679e-01 4.26 -5.660810413e-01 -5.660810413e-01 4.28 -5.510656792e-01 -5.510656792e-01 4.30 -5.364247102e-01 -5.364247102e-01 4.32 -5.221502325e-01 -5.221502325e-01 4.34 -5.082344207e-01 -5.082344207e-01 4.36 -4.946695315e-01 -4.946695315e-01 4.38 -4.814479093e-01 -4.814479093e-01 4.40 -4.685619909e-01 -4.685619909e-01 4.42 -4.560043097e-01 -4.560043097e-01 4.44 -4.437674997e-01 -4.437674997e-01 4.46 -4.318442984e-01 -4.318442984e-01 4.48 -4.202275500e-01 -4.202275500e-01 4.50 -4.089102075e-01 -4.089102075e-01 4.52 -3.978853351e-01 -3.978853351e-01 4.54 -3.871461098e-01 -3.871461098e-01 4.56 -3.766858229e-01 -3.766858229e-01 4.58 -3.664978809e-01 -3.664978809e-01 4.60 -3.565758064e-01 -3.565758064e-01 4.62 -3.469132390e-01 -3.469132390e-01 4.64 -3.375039352e-01 -3.375039352e-01 4.66 -3.283417689e-01 -3.283417689e-01 4.68 -3.194207312e-01 -3.194207312e-01 4.70 -3.107349301e-01 -3.107349301e-01 4.72 -3.022785902e-01 -3.022785902e-01 4.74 -2.940460523e-01 -2.940460523e-01 4.76 -2.860317724e-01 -2.860317724e-01 4.78 -2.782303212e-01 -2.782303212e-01 4.80 -2.706363828e-01 -2.706363828e-01 4.82 -2.632447541e-01 -2.632447541e-01 4.84 -2.560503436e-01 -2.560503436e-01 4.86 -2.490481699e-01 -2.490481699e-01 4.88 -2.422333606e-01 -2.422333606e-01 4.90 -2.356011512e-01 -2.356011512e-01 4.92 -2.291468834e-01 -2.291468834e-01 4.94 -2.228660036e-01 -2.228660036e-01 4.96 -2.167540617e-01 -2.167540617e-01 4.98 -2.108067095e-01 -2.108067095e-01 5.00 -2.050196988e-01 -2.050196988e-01 5.02 -1.993888803e-01 -1.993888803e-01 5.04 -1.939102015e-01 -1.939102015e-01 5.06 -1.885797056e-01 -1.885797056e-01 5.08 -1.833935292e-01 -1.833935292e-01 5.10 -1.783479012e-01 -1.783479012e-01 5.12 -1.734391409e-01 -1.734391409e-01 5.14 -1.686636563e-01 -1.686636563e-01 5.16 -1.640179424e-01 -1.640179424e-01 5.18 -1.594985798e-01 -1.594985798e-01 5.20 -1.551022325e-01 -1.551022325e-01 5.22 -1.508256468e-01 -1.508256468e-01 5.24 -1.466656493e-01 -1.466656493e-01 5.26 -1.426191454e-01 -1.426191454e-01 5.28 -1.386831176e-01 -1.386831176e-01 5.30 -1.348546238e-01 -1.348546238e-01 5.32 -1.311307959e-01 -1.311307959e-01 5.34 -1.275088380e-01 -1.275088380e-01 5.36 -1.239860252e-01 -1.239860252e-01 5.38 -1.205597013e-01 -1.205597013e-01 5.40 -1.172272783e-01 -1.172272783e-01 5.42 -1.139862338e-01 -1.139862338e-01 5.44 -1.108341105e-01 -1.108341105e-01 5.46 -8.714852706e-02 -8.714852706e-02 5.48 -8.481000688e-02 -8.481000688e-02 5.50 -8.253343865e-02 -8.253343865e-02 5.52 -8.031722458e-02 -8.031722458e-02 5.54 -7.815980572e-02 -7.815980572e-02 5.56 -7.605966111e-02 -7.605966111e-02 5.58 -7.401530701e-02 -7.401530701e-02 5.60 -7.202529609e-02 -7.202529609e-02 5.62 -7.008821668e-02 -7.008821668e-02 5.64 -6.820269194e-02 -6.820269194e-02 5.66 -6.636737919e-02 -6.636737919e-02 5.68 -6.458096905e-02 -6.458096905e-02 5.70 -6.284218482e-02 -6.284218482e-02 5.72 -6.114978165e-02 -6.114978165e-02 5.74 -5.950254588e-02 -5.950254588e-02 5.76 -5.789929433e-02 -5.789929433e-02 5.78 -5.633887359e-02 -5.633887359e-02 5.80 -5.482015934e-02 -5.482015934e-02 5.82 -5.334205570e-02 -5.334205570e-02 5.84 -5.190349455e-02 -5.190349455e-02 5.86 -5.050343490e-02 -5.050343490e-02 5.88 -4.914086223e-02 -4.914086223e-02 5.90 -4.781478790e-02 -4.781478790e-02 5.92 -4.652424851e-02 -4.652424851e-02 5.94 -4.526830533e-02 -4.526830533e-02 5.96 -4.404604367e-02 -4.404604367e-02 5.98 -4.285657235e-02 -4.285657235e-02 6.00 -4.169902311e-02 -4.169902311e-02