# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = Al2NiTi # 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 4.686068156e+02 4.686068156e+02 1.00 4.301988280e+02 4.301988280e+02 1.02 3.949909326e+02 3.949909326e+02 1.04 3.627892092e+02 3.627892092e+02 1.06 3.333808172e+02 3.333808172e+02 1.08 3.065467919e+02 3.065467919e+02 1.10 2.820707728e+02 2.820707728e+02 1.12 2.597447251e+02 2.597447251e+02 1.14 2.393724727e+02 2.393724727e+02 1.16 2.207716546e+02 2.207716546e+02 1.18 2.037745688e+02 2.037745688e+02 1.20 1.882282483e+02 1.882282483e+02 1.22 1.739940243e+02 1.739940243e+02 1.24 1.609467673e+02 1.609467673e+02 1.26 1.489739389e+02 1.489739389e+02 1.28 1.379746182e+02 1.379746182e+02 1.30 1.279331427e+02 1.279331427e+02 1.32 1.191245499e+02 1.191245499e+02 1.34 1.113681939e+02 1.113681939e+02 1.36 1.044536416e+02 1.044536416e+02 1.38 9.821196915e+01 9.821196915e+01 1.40 9.250891595e+01 9.250891595e+01 1.42 8.723888650e+01 8.723888650e+01 1.44 8.231978817e+01 8.231978817e+01 1.46 7.768863059e+01 7.768863059e+01 1.48 7.329779344e+01 7.329779344e+01 1.50 6.911188733e+01 6.911188733e+01 1.52 6.510513595e+01 6.510513595e+01 1.54 6.125920636e+01 6.125920636e+01 1.56 5.756142946e+01 5.756142946e+01 1.58 5.400335343e+01 5.400335343e+01 1.60 5.057957929e+01 5.057957929e+01 1.62 4.728683625e+01 4.728683625e+01 1.64 4.412325678e+01 4.412325678e+01 1.66 4.108781799e+01 4.108781799e+01 1.68 3.817992024e+01 3.817992024e+01 1.70 3.539907738e+01 3.539907738e+01 1.72 3.274469756e+01 3.274469756e+01 1.74 3.021593589e+01 3.021593589e+01 1.76 2.781159997e+01 2.781159997e+01 1.78 2.553007383e+01 2.553007383e+01 1.80 2.336928842e+01 2.336928842e+01 1.82 2.132674107e+01 2.132674107e+01 1.84 1.939953237e+01 1.939953237e+01 1.86 1.758441341e+01 1.758441341e+01 1.88 1.587783905e+01 1.587783905e+01 1.90 1.427602385e+01 1.427602385e+01 1.92 1.277499799e+01 1.277499799e+01 1.94 1.137066143e+01 1.137066143e+01 1.96 1.005883457e+01 1.005883457e+01 1.98 8.835301012e+00 8.835301012e+00 2.00 7.695835120e+00 7.695835120e+00 2.02 6.636208787e+00 6.636208787e+00 2.04 5.652211684e+00 5.652211684e+00 2.06 4.739686077e+00 4.739686077e+00 2.08 3.894557196e+00 3.894557196e+00 2.10 3.112858474e+00 3.112858474e+00 2.12 2.390752077e+00 2.390752077e+00 2.14 1.724545114e+00 1.724545114e+00 2.16 1.110701917e+00 1.110701917e+00 2.18 5.458528864e-01 5.458528864e-01 2.20 2.680023786e-02 2.680023786e-02 2.22 -4.494789099e-01 -4.494789099e-01 2.24 -8.858317187e-01 -8.858317187e-01 2.26 -1.284930802e+00 -1.284930802e+00 2.28 -1.649277008e+00 -1.649277008e+00 2.30 -1.981203543e+00 -1.981203543e+00 2.32 -2.282883241e+00 -2.282883241e+00 2.34 -2.556348575e+00 -2.556348575e+00 2.36 -2.803508299e+00 -2.803508299e+00 2.38 -3.026155018e+00 -3.026155018e+00 2.40 -3.225971854e+00 -3.225971854e+00 2.42 -3.404538763e+00 -3.404538763e+00 2.44 -3.563338495e+00 -3.563338495e+00 2.46 -3.703762222e+00 -3.703762222e+00 2.48 -3.827114861e+00 -3.827114861e+00 2.50 -3.934620100e+00 -3.934620100e+00 2.52 -4.027425135e+00 -4.027425135e+00 2.54 -4.106605158e+00 -4.106605158e+00 2.56 -4.173167580e+00 -4.173167580e+00 2.58 -4.228056025e+00 -4.228056025e+00 2.60 -4.272154101e+00 -4.272154101e+00 2.62 -4.306288948e+00 -4.306288948e+00 2.64 -4.331234599e+00 -4.331234599e+00 2.66 -4.347715144e+00 -4.347715144e+00 2.68 -4.356407711e+00 -4.356407711e+00 2.70 -4.357945287e+00 -4.357945287e+00 2.72 -4.352919370e+00 -4.352919370e+00 2.74 -4.341882473e+00 -4.341882473e+00 2.76 -4.325350485e+00 -4.325350485e+00 2.78 -4.303804892e+00 -4.303804892e+00 2.80 -4.277694877e+00 -4.277694877e+00 2.82 -4.247439294e+00 -4.247439294e+00 2.84 -4.213428528e+00 -4.213428528e+00 2.86 -4.176026249e+00 -4.176026249e+00 2.88 -4.135571062e+00 -4.135571062e+00 2.90 -4.092378064e+00 -4.092378064e+00 2.92 -4.046740304e+00 -4.046740304e+00 2.94 -3.998930165e+00 -3.998930165e+00 2.96 -3.949200657e+00 -3.949200657e+00 2.98 -3.897786640e+00 -3.897786640e+00 3.00 -3.844905973e+00 -3.844905973e+00 3.02 -3.790760589e+00 -3.790760589e+00 3.04 -3.735537521e+00 -3.735537521e+00 3.06 -3.679409849e+00 -3.679409849e+00 3.08 -3.622537576e+00 -3.622537576e+00 3.10 -3.565068530e+00 -3.565068530e+00 3.12 -3.507139108e+00 -3.507139108e+00 3.14 -3.448875039e+00 -3.448875039e+00 3.16 -3.390392080e+00 -3.390392080e+00 3.18 -3.331796677e+00 -3.331796677e+00 3.20 -3.273186580e+00 -3.273186580e+00 3.22 -3.214651426e+00 -3.214651426e+00 3.24 -3.156273280e+00 -3.156273280e+00 3.26 -3.098127148e+00 -3.098127148e+00 3.28 -3.040281453e+00 -3.040281453e+00 3.30 -2.982798489e+00 -2.982798489e+00 3.32 -2.925734840e+00 -2.925734840e+00 3.34 -2.869141773e+00 -2.869141773e+00 3.36 -2.813065614e+00 -2.813065614e+00 3.38 -2.757548087e+00 -2.757548087e+00 3.40 -2.702626648e+00 -2.702626648e+00 3.42 -2.648334782e+00 -2.648334782e+00 3.44 -2.594702291e+00 -2.594702291e+00 3.46 -2.541755563e+00 -2.541755563e+00 3.48 -2.489517816e+00 -2.489517816e+00 3.50 -2.438009336e+00 -2.438009336e+00 3.52 -2.387247695e+00 -2.387247695e+00 3.54 -2.337247953e+00 -2.337247953e+00 3.56 -2.288022848e+00 -2.288022848e+00 3.58 -2.239582978e+00 -2.239582978e+00 3.60 -2.191936963e+00 -2.191936963e+00 3.62 -2.145091604e+00 -2.145091604e+00 3.64 -2.099052023e+00 -2.099052023e+00 3.66 -2.053821802e+00 -2.053821802e+00 3.68 -2.009403109e+00 -2.009403109e+00 3.70 -1.965796811e+00 -1.965796811e+00 3.72 -1.923002589e+00 -1.923002589e+00 3.74 -1.881019032e+00 -1.881019032e+00 3.76 -1.839843740e+00 -1.839843740e+00 3.78 -1.799473405e+00 -1.799473405e+00 3.80 -1.759903896e+00 -1.759903896e+00 3.82 -1.721130333e+00 -1.721130333e+00 3.84 -1.683147159e+00 -1.683147159e+00 3.86 -1.645948201e+00 -1.645948201e+00 3.88 -1.609526737e+00 -1.609526737e+00 3.90 -1.573875544e+00 -1.573875544e+00 3.92 -1.538986954e+00 -1.538986954e+00 3.94 -1.504852902e+00 -1.504852902e+00 3.96 -1.471464964e+00 -1.471464964e+00 3.98 -1.438814406e+00 -1.438814406e+00 4.00 -1.406892211e+00 -1.406892211e+00 4.02 -1.375689122e+00 -1.375689122e+00 4.04 -1.345195666e+00 -1.345195666e+00 4.06 -1.315402185e+00 -1.315402185e+00 4.08 -1.286298862e+00 -1.286298862e+00 4.10 -1.257875745e+00 -1.257875745e+00 4.12 -1.230122763e+00 -1.230122763e+00 4.14 -1.203029753e+00 -1.203029753e+00 4.16 -1.176586469e+00 -1.176586469e+00 4.18 -1.150782602e+00 -1.150782602e+00 4.20 -1.125607792e+00 -1.125607792e+00 4.22 -1.101051640e+00 -1.101051640e+00 4.24 -1.077103715e+00 -1.077103715e+00 4.26 -1.053811687e+00 -1.053811687e+00 4.28 -1.032378610e+00 -1.032378610e+00 4.30 -1.014732377e+00 -1.014732377e+00 4.32 -9.937823291e-01 -9.937823291e-01 4.34 -9.722454583e-01 -9.722454583e-01 4.36 -9.538101671e-01 -9.538101671e-01 4.38 -9.358493777e-01 -9.358493777e-01 4.40 -9.183510328e-01 -9.183510328e-01 4.42 -9.013030135e-01 -9.013030135e-01 4.44 -8.846931434e-01 -8.846931434e-01 4.46 -8.685091925e-01 -8.685091925e-01 4.48 -8.527388822e-01 -8.527388822e-01 4.50 -8.373698913e-01 -8.373698913e-01 4.52 -8.223898631e-01 -8.223898631e-01 4.54 -8.077864133e-01 -8.077864133e-01 4.56 -7.935471403e-01 -7.935471403e-01 4.58 -7.796596363e-01 -7.796596363e-01 4.60 -7.661115006e-01 -7.661115006e-01 4.62 -7.528903547e-01 -7.528903547e-01 4.64 -7.399838590e-01 -7.399838590e-01 4.66 -7.273797324e-01 -7.273797324e-01 4.68 -7.150657734e-01 -7.150657734e-01 4.70 -7.030298833e-01 -7.030298833e-01 4.72 -6.912600917e-01 -6.912600917e-01 4.74 -6.797445841e-01 -6.797445841e-01 4.76 -6.684717311e-01 -6.684717311e-01 4.78 -6.574301194e-01 -6.574301194e-01 4.80 -6.466085841e-01 -6.466085841e-01 4.82 -6.359962426e-01 -6.359962426e-01 4.84 -6.255825282e-01 -6.255825282e-01 4.86 -6.153572251e-01 -6.153572251e-01 4.88 -6.053105025e-01 -6.053105025e-01 4.90 -5.954329483e-01 -5.954329483e-01 4.92 -5.851322562e-01 -5.851322562e-01 4.94 -5.666192026e-01 -5.666192026e-01 4.96 -5.117382376e-01 -5.117382376e-01 4.98 -3.359952276e-01 -3.359952276e-01 5.00 -4.370016324e-22 -4.370212137e-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 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