# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Co-Al # implementation = 2025--Sharifi-H--Cu-Co-Al--LAMMPS--ipr1 # composition = AlCoCu2 # 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 4.762029453e+02 4.762029453e+02 1.00 4.333337982e+02 4.333337982e+02 1.02 3.936519578e+02 3.936519578e+02 1.04 3.570672324e+02 3.570672324e+02 1.06 3.234525152e+02 3.234525152e+02 1.08 2.926571272e+02 2.926571272e+02 1.10 2.645165920e+02 2.645165920e+02 1.12 2.388597638e+02 2.388597638e+02 1.14 2.155139822e+02 2.155139822e+02 1.16 1.943087568e+02 1.943087568e+02 1.18 1.750783596e+02 1.750783596e+02 1.20 1.576636006e+02 1.576636006e+02 1.22 1.419129961e+02 1.419129961e+02 1.24 1.276834958e+02 1.276834958e+02 1.26 1.148408540e+02 1.148408540e+02 1.28 1.032597473e+02 1.032597473e+02 1.30 9.282372860e+01 9.282372860e+01 1.32 8.342503975e+01 8.342503975e+01 1.34 7.496433933e+01 7.496433933e+01 1.36 6.735035813e+01 6.735035813e+01 1.38 6.049950664e+01 6.049950664e+01 1.40 5.433545394e+01 5.433545394e+01 1.42 4.878869085e+01 4.878869085e+01 1.44 4.379608690e+01 4.379608690e+01 1.46 3.930044223e+01 3.930044223e+01 1.48 3.525005571e+01 3.525005571e+01 1.50 3.159831548e+01 3.159831548e+01 1.52 2.830329392e+01 2.830329392e+01 1.54 2.532735927e+01 2.532735927e+01 1.56 2.263680690e+01 2.263680690e+01 1.58 2.020151209e+01 2.020151209e+01 1.60 1.799460431e+01 1.799460431e+01 1.62 1.599215088e+01 1.599215088e+01 1.64 1.417286858e+01 1.417286858e+01 1.66 1.251786434e+01 1.251786434e+01 1.68 1.101039627e+01 1.101039627e+01 1.70 9.635653561e+00 9.635653561e+00 1.72 8.380553802e+00 8.380553802e+00 1.74 7.233552267e+00 7.233552267e+00 1.76 6.184469189e+00 6.184469189e+00 1.78 5.224354065e+00 5.224354065e+00 1.80 4.345350863e+00 4.345350863e+00 1.82 3.540509387e+00 3.540509387e+00 1.84 2.803652524e+00 2.803652524e+00 1.86 2.129285992e+00 2.129285992e+00 1.88 1.512482811e+00 1.512482811e+00 1.90 9.487372188e-01 9.487372188e-01 1.92 4.338967313e-01 4.338967313e-01 1.94 -3.586659252e-02 -3.586659252e-02 1.96 -4.640819182e-01 -4.640819182e-01 1.98 -8.540033618e-01 -8.540033618e-01 2.00 -1.208631769e+00 -1.208631769e+00 2.02 -1.530734699e+00 -1.530734699e+00 2.04 -1.822856645e+00 -1.822856645e+00 2.06 -2.087278235e+00 -2.087278235e+00 2.08 -2.326080525e+00 -2.326080525e+00 2.10 -2.541196856e+00 -2.541196856e+00 2.12 -2.734423447e+00 -2.734423447e+00 2.14 -2.907428966e+00 -2.907428966e+00 2.16 -3.061763426e+00 -3.061763426e+00 2.18 -3.198866448e+00 -3.198866448e+00 2.20 -3.320074959e+00 -3.320074959e+00 2.22 -3.426630361e+00 -3.426630361e+00 2.24 -3.519691998e+00 -3.519691998e+00 2.26 -3.600356531e+00 -3.600356531e+00 2.28 -3.669642834e+00 -3.669642834e+00 2.30 -3.728492590e+00 -3.728492590e+00 2.32 -3.777775544e+00 -3.777775544e+00 2.34 -3.818264105e+00 -3.818264105e+00 2.36 -3.850627466e+00 -3.850627466e+00 2.38 -3.875489213e+00 -3.875489213e+00 2.40 -3.893434599e+00 -3.893434599e+00 2.42 -3.905012553e+00 -3.905012553e+00 2.44 -3.910737610e+00 -3.910737610e+00 2.46 -3.911091770e+00 -3.911091770e+00 2.48 -3.906526795e+00 -3.906526795e+00 2.50 -3.897465803e+00 -3.897465803e+00 2.52 -3.884304302e+00 -3.884304302e+00 2.54 -3.867411704e+00 -3.867411704e+00 2.56 -3.847132799e+00 -3.847132799e+00 2.58 -3.824054387e+00 -3.824054387e+00 2.60 -3.800702019e+00 -3.800702019e+00 2.62 -3.773784877e+00 -3.773784877e+00 2.64 -3.742781512e+00 -3.742781512e+00 2.66 -3.709799211e+00 -3.709799211e+00 2.68 -3.675061999e+00 -3.675061999e+00 2.70 -3.638777745e+00 -3.638777745e+00 2.72 -3.601139133e+00 -3.601139133e+00 2.74 -3.562324591e+00 -3.562324591e+00 2.76 -3.522499166e+00 -3.522499166e+00 2.78 -3.481815355e+00 -3.481815355e+00 2.80 -3.440413888e+00 -3.440413888e+00 2.82 -3.398424474e+00 -3.398424474e+00 2.84 -3.355966500e+00 -3.355966500e+00 2.86 -3.313149694e+00 -3.313149694e+00 2.88 -3.270074749e+00 -3.270074749e+00 2.90 -3.226833920e+00 -3.226833920e+00 2.92 -3.183511575e+00 -3.183511575e+00 2.94 -3.140184721e+00 -3.140184721e+00 2.96 -3.096923503e+00 -3.096923503e+00 2.98 -3.053791668e+00 -3.053791668e+00 3.00 -3.010847001e+00 -3.010847001e+00 3.02 -2.968089554e+00 -2.968089554e+00 3.04 -2.924908424e+00 -2.924908424e+00 3.06 -2.881068102e+00 -2.881068102e+00 3.08 -2.839334640e+00 -2.839334640e+00 3.10 -2.798039480e+00 -2.798039480e+00 3.12 -2.757176873e+00 -2.757176873e+00 3.14 -2.716772985e+00 -2.716772985e+00 3.16 -2.676850722e+00 -2.676850722e+00 3.18 -2.637429975e+00 -2.637429975e+00 3.20 -2.598527855e+00 -2.598527855e+00 3.22 -2.560158913e+00 -2.560158913e+00 3.24 -2.522335346e+00 -2.522335346e+00 3.26 -2.485067186e+00 -2.485067186e+00 3.28 -2.448362480e+00 -2.448362480e+00 3.30 -2.412227462e+00 -2.412227462e+00 3.32 -2.376666702e+00 -2.376666702e+00 3.34 -2.341683258e+00 -2.341683258e+00 3.36 -2.307278808e+00 -2.307278808e+00 3.38 -2.273453779e+00 -2.273453779e+00 3.40 -2.240207464e+00 -2.240207464e+00 3.42 -2.207538132e+00 -2.207538132e+00 3.44 -2.175443129e+00 -2.175443129e+00 3.46 -2.143918975e+00 -2.143918975e+00 3.48 -2.112961448e+00 -2.112961448e+00 3.50 -2.082565668e+00 -2.082565668e+00 3.52 -2.052726173e+00 -2.052726173e+00 3.54 -2.023436988e+00 -2.023436988e+00 3.56 -1.994691686e+00 -1.994691686e+00 3.58 -1.966483455e+00 -1.966483455e+00 3.60 -1.938805144e+00 -1.938805144e+00 3.62 -1.911649320e+00 -1.911649320e+00 3.64 -1.885008312e+00 -1.885008312e+00 3.66 -1.858874251e+00 -1.858874251e+00 3.68 -1.833239115e+00 -1.833239115e+00 3.70 -1.808094757e+00 -1.808094757e+00 3.72 -1.783432945e+00 -1.783432945e+00 3.74 -1.759245384e+00 -1.759245384e+00 3.76 -1.735523749e+00 -1.735523749e+00 3.78 -1.712259706e+00 -1.712259706e+00 3.80 -1.689444933e+00 -1.689444933e+00 3.82 -1.667071144e+00 -1.667071144e+00 3.84 -1.645130101e+00 -1.645130101e+00 3.86 -1.623613631e+00 -1.623613631e+00 3.88 -1.602513645e+00 -1.602513645e+00 3.90 -1.581822140e+00 -1.581822140e+00 3.92 -1.561531220e+00 -1.561531220e+00 3.94 -1.541633098e+00 -1.541633098e+00 3.96 -1.522120105e+00 -1.522120105e+00 3.98 -1.502984698e+00 -1.502984698e+00 4.00 -1.484219465e+00 -1.484219465e+00 4.02 -1.465817125e+00 -1.465817125e+00 4.04 -1.447770536e+00 -1.447770536e+00 4.06 -1.430072697e+00 -1.430072697e+00 4.08 -1.412716742e+00 -1.412716742e+00 4.10 -1.395695949e+00 -1.395695949e+00 4.12 -1.379003733e+00 -1.379003733e+00 4.14 -1.362633650e+00 -1.362633650e+00 4.16 -1.346579387e+00 -1.346579387e+00 4.18 -1.330834769e+00 -1.330834769e+00 4.20 -1.315393746e+00 -1.315393746e+00 4.22 -1.300250396e+00 -1.300250396e+00 4.24 -1.285398917e+00 -1.285398917e+00 4.26 -1.270711721e+00 -1.270711721e+00 4.28 -1.253713876e+00 -1.253713876e+00 4.30 -1.226744263e+00 -1.226744263e+00 4.32 -1.182237941e+00 -1.182237941e+00 4.34 -1.158965630e+00 -1.158965630e+00 4.36 -1.147351405e+00 -1.147351405e+00 4.38 -1.135949951e+00 -1.135949951e+00 4.40 -1.124756717e+00 -1.124756717e+00 4.42 -1.113767191e+00 -1.113767191e+00 4.44 -1.102976893e+00 -1.102976893e+00 4.46 -1.092381367e+00 -1.092381367e+00 4.48 -1.081976171e+00 -1.081976171e+00 4.50 -1.071756867e+00 -1.071756867e+00 4.52 -1.061719013e+00 -1.061719013e+00 4.54 -1.051858152e+00 -1.051858152e+00 4.56 -1.042169806e+00 -1.042169806e+00 4.58 -1.032649464e+00 -1.032649464e+00 4.60 -1.023292573e+00 -1.023292573e+00 4.62 -1.014094534e+00 -1.014094534e+00 4.64 -1.005050689e+00 -1.005050689e+00 4.66 -9.961563186e-01 -9.961563186e-01 4.68 -9.874066310e-01 -9.874066310e-01 4.70 -9.787967597e-01 -9.787967597e-01 4.72 -9.703217573e-01 -9.703217573e-01 4.74 -9.619765922e-01 -9.619765922e-01 4.76 -9.537561464e-01 -9.537561464e-01 4.78 -9.456552143e-01 -9.456552143e-01 4.80 -9.376685036e-01 -9.376685036e-01 4.82 -9.297906370e-01 -9.297906370e-01 4.84 -9.220161569e-01 -9.220161569e-01 4.86 -9.143395309e-01 -9.143395309e-01 4.88 -9.067551602e-01 -9.067551602e-01 4.90 -8.992573894e-01 -8.992573894e-01 4.92 -8.898827076e-01 -8.898827076e-01 4.94 -8.534743079e-01 -8.534743079e-01 4.96 -7.225693199e-01 -7.225693199e-01 4.98 -4.037761212e-01 -4.037761212e-01 5.00 -2.906214935e-22 -2.903994204e-22 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