# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuNiPt2 # 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 2022-05-24 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 9.751072753e+02 9.751072753e+02 1.00 8.913308683e+02 8.913308683e+02 1.02 8.154331720e+02 8.154331720e+02 1.04 7.466080711e+02 7.466080711e+02 1.06 6.841379075e+02 6.841379075e+02 1.08 6.273835276e+02 6.273835276e+02 1.10 5.757785819e+02 5.757785819e+02 1.12 5.288108298e+02 5.288108298e+02 1.14 4.860250823e+02 4.860250823e+02 1.16 4.470164831e+02 4.470164831e+02 1.18 4.114198767e+02 4.114198767e+02 1.20 3.789067622e+02 3.789067622e+02 1.22 3.491818507e+02 3.491818507e+02 1.24 3.219833664e+02 3.219833664e+02 1.26 2.970738202e+02 2.970738202e+02 1.28 2.742399522e+02 2.742399522e+02 1.30 2.532881469e+02 2.532881469e+02 1.32 2.340453860e+02 2.340453860e+02 1.34 2.163557064e+02 2.163557064e+02 1.36 2.000797650e+02 2.000797650e+02 1.38 1.850911247e+02 1.850911247e+02 1.40 1.712758707e+02 1.712758707e+02 1.42 1.585301661e+02 1.585301661e+02 1.44 1.467607018e+02 1.467607018e+02 1.46 1.358829471e+02 1.358829471e+02 1.48 1.258204572e+02 1.258204572e+02 1.50 1.165044496e+02 1.165044496e+02 1.52 1.078727658e+02 1.078727658e+02 1.54 9.986883320e+01 9.986883320e+01 1.56 9.244069041e+01 9.244069041e+01 1.58 8.554146228e+01 8.554146228e+01 1.60 7.912939300e+01 7.912939300e+01 1.62 7.316592210e+01 7.316592210e+01 1.64 6.761594977e+01 6.761594977e+01 1.66 6.244742805e+01 6.244742805e+01 1.68 5.763117323e+01 5.763117323e+01 1.70 5.314039558e+01 5.314039558e+01 1.72 4.895005666e+01 4.895005666e+01 1.74 4.503889195e+01 4.503889195e+01 1.76 4.138648010e+01 4.138648010e+01 1.78 3.797369915e+01 3.797369915e+01 1.80 3.478358682e+01 3.478358682e+01 1.82 3.180056175e+01 3.180056175e+01 1.84 2.901010329e+01 2.901010329e+01 1.86 2.639887252e+01 2.639887252e+01 1.88 2.396217579e+01 2.396217579e+01 1.90 2.168965646e+01 2.168965646e+01 1.92 1.954709720e+01 1.954709720e+01 1.94 1.755522084e+01 1.755522084e+01 1.96 1.568954942e+01 1.568954942e+01 1.98 1.394409711e+01 1.394409711e+01 2.00 1.231305393e+01 1.231305393e+01 2.02 1.079083429e+01 1.079083429e+01 2.04 9.372043101e+00 9.372043101e+00 2.06 8.051436946e+00 8.051436946e+00 2.08 6.823893835e+00 6.823893835e+00 2.10 5.684461570e+00 5.684461570e+00 2.12 4.628441116e+00 4.628441116e+00 2.14 3.651464629e+00 3.651464629e+00 2.16 2.749352253e+00 2.749352253e+00 2.18 1.918343795e+00 1.918343795e+00 2.20 1.153929545e+00 1.153929545e+00 2.22 4.522482091e-01 4.522482091e-01 2.24 -1.903209035e-01 -1.903209035e-01 2.26 -7.772539395e-01 -7.772539395e-01 2.28 -1.311897952e+00 -1.311897952e+00 2.30 -1.797058657e+00 -1.797058657e+00 2.32 -2.236205535e+00 -2.236205535e+00 2.34 -2.632201338e+00 -2.632201338e+00 2.36 -2.987835724e+00 -2.987835724e+00 2.38 -3.305765392e+00 -3.305765392e+00 2.40 -3.588493058e+00 -3.588493058e+00 2.42 -3.838197689e+00 -3.838197689e+00 2.44 -4.057450736e+00 -4.057450736e+00 2.46 -4.248413971e+00 -4.248413971e+00 2.48 -4.413137208e+00 -4.413137208e+00 2.50 -4.553561592e+00 -4.553561592e+00 2.52 -4.671927331e+00 -4.671927331e+00 2.54 -4.769787221e+00 -4.769787221e+00 2.56 -4.848390071e+00 -4.848390071e+00 2.58 -4.909132515e+00 -4.909132515e+00 2.60 -4.953769570e+00 -4.953769570e+00 2.62 -4.983659546e+00 -4.983659546e+00 2.64 -5.000075947e+00 -5.000075947e+00 2.66 -5.004391531e+00 -5.004391531e+00 2.68 -4.997621336e+00 -4.997621336e+00 2.70 -4.980720505e+00 -4.980720505e+00 2.72 -4.954656802e+00 -4.954656802e+00 2.74 -4.920334091e+00 -4.920334091e+00 2.76 -4.878588318e+00 -4.878588318e+00 2.78 -4.830651872e+00 -4.830651872e+00 2.80 -4.777089427e+00 -4.777089427e+00 2.82 -4.717985552e+00 -4.717985552e+00 2.84 -4.654058895e+00 -4.654058895e+00 2.86 -4.586079350e+00 -4.586079350e+00 2.88 -4.514574323e+00 -4.514574323e+00 2.90 -4.440056737e+00 -4.440056737e+00 2.92 -4.363268717e+00 -4.363268717e+00 2.94 -4.283679475e+00 -4.283679475e+00 2.96 -4.201597698e+00 -4.201597698e+00 2.98 -4.118098869e+00 -4.118098869e+00 3.00 -4.033490895e+00 -4.033490895e+00 3.02 -3.948061055e+00 -3.948061055e+00 3.04 -3.862072216e+00 -3.862072216e+00 3.06 -3.775723907e+00 -3.775723907e+00 3.08 -3.689046961e+00 -3.689046961e+00 3.10 -3.602416468e+00 -3.602416468e+00 3.12 -3.516057148e+00 -3.516057148e+00 3.14 -3.430121638e+00 -3.430121638e+00 3.16 -3.344750085e+00 -3.344750085e+00 3.18 -3.260067844e+00 -3.260067844e+00 3.20 -3.176186703e+00 -3.176186703e+00 3.22 -3.093205960e+00 -3.093205960e+00 3.24 -3.011200618e+00 -3.011200618e+00 3.26 -2.930915561e+00 -2.930915561e+00 3.28 -2.851947962e+00 -2.851947962e+00 3.30 -2.774125989e+00 -2.774125989e+00 3.32 -2.697502246e+00 -2.697502246e+00 3.34 -2.622122833e+00 -2.622122833e+00 3.36 -2.548027232e+00 -2.548027232e+00 3.38 -2.475248268e+00 -2.475248268e+00 3.40 -2.403824792e+00 -2.403824792e+00 3.42 -2.333929046e+00 -2.333929046e+00 3.44 -2.265406666e+00 -2.265406666e+00 3.46 -2.198265209e+00 -2.198265209e+00 3.48 -2.132531071e+00 -2.132531071e+00 3.50 -2.068237470e+00 -2.068237470e+00 3.52 -2.005263076e+00 -2.005263076e+00 3.54 -1.943528341e+00 -1.943528341e+00 3.56 -1.883104144e+00 -1.883104144e+00 3.58 -1.823973330e+00 -1.823973330e+00 3.60 -1.766059313e+00 -1.766059313e+00 3.62 -1.709412910e+00 -1.709412910e+00 3.64 -1.654131644e+00 -1.654131644e+00 3.66 -1.600259548e+00 -1.600259548e+00 3.68 -1.547766671e+00 -1.547766671e+00 3.70 -1.496626180e+00 -1.496626180e+00 3.72 -1.446803530e+00 -1.446803530e+00 3.74 -1.398259786e+00 -1.398259786e+00 3.76 -1.350963461e+00 -1.350963461e+00 3.78 -1.304895687e+00 -1.304895687e+00 3.80 -1.260052235e+00 -1.260052235e+00 3.82 -1.216400493e+00 -1.216400493e+00 3.84 -1.173931947e+00 -1.173931947e+00 3.86 -1.132636348e+00 -1.132636348e+00 3.88 -1.092497402e+00 -1.092497402e+00 3.90 -1.053492893e+00 -1.053492893e+00 3.92 -1.015502119e+00 -1.015502119e+00 3.94 -9.785346909e-01 -9.785346909e-01 3.96 -9.426247386e-01 -9.426247386e-01 3.98 -9.077438097e-01 -9.077438097e-01 4.00 -8.739165474e-01 -8.739165474e-01 4.02 -8.411242358e-01 -8.411242358e-01 4.04 -8.094421573e-01 -8.094421573e-01 4.06 -7.790195966e-01 -7.790195966e-01 4.08 -7.497779070e-01 -7.497779070e-01 4.10 -7.215884894e-01 -7.215884894e-01 4.12 -6.944097248e-01 -6.944097248e-01 4.14 -6.681027352e-01 -6.681027352e-01 4.16 -6.426332590e-01 -6.426332590e-01 4.18 -6.181115035e-01 -6.181115035e-01 4.20 -5.939908398e-01 -5.939908398e-01 4.22 -5.701636367e-01 -5.701636367e-01 4.24 -5.465560231e-01 -5.465560231e-01 4.26 -5.231268300e-01 -5.231268300e-01 4.28 -4.998186948e-01 -4.998186948e-01 4.30 -4.766343412e-01 -4.766343412e-01 4.32 -4.536614911e-01 -4.536614911e-01 4.34 -4.309766570e-01 -4.309766570e-01 4.36 -4.086222955e-01 -4.086222955e-01 4.38 -3.866521663e-01 -3.866521663e-01 4.40 -3.651188734e-01 -3.651188734e-01 4.42 -3.441302199e-01 -3.441302199e-01 4.44 -3.237745035e-01 -3.237745035e-01 4.46 -3.041156686e-01 -3.041156686e-01 4.48 -2.851976674e-01 -2.851976674e-01 4.50 -2.670481294e-01 -2.670481294e-01 4.52 -2.496814476e-01 -2.496814476e-01 4.54 -2.331013671e-01 -2.331013671e-01 4.56 -2.173029598e-01 -2.173029598e-01 4.58 -2.022585410e-01 -2.022585410e-01 4.60 -1.884145291e-01 -1.884145291e-01 4.62 -1.757003965e-01 -1.757003965e-01 4.64 -1.636256342e-01 -1.636256342e-01 4.66 -1.521837357e-01 -1.521837357e-01 4.68 -1.413508551e-01 -1.413508551e-01 4.70 -1.311022432e-01 -1.311022432e-01 4.72 -1.214127270e-01 -1.214127270e-01 4.74 -1.122570426e-01 -1.122570426e-01 4.76 -1.036101014e-01 -1.036101014e-01 4.78 -9.545070428e-02 -9.545070428e-02 4.80 -8.775270911e-02 -8.775270911e-02 4.82 -8.149033471e-02 -8.149033471e-02 4.84 -7.565242813e-02 -7.565242813e-02 4.86 -7.014261583e-02 -7.014261583e-02 4.88 -6.494374467e-02 -6.494374467e-02 4.90 -6.003929334e-02 -6.003929334e-02 4.92 -5.541344973e-02 -5.541344973e-02 4.94 -5.105111104e-02 -5.105111104e-02 4.96 -4.693787654e-02 -4.693787654e-02 4.98 -4.306003541e-02 -4.306003541e-02 5.00 -3.940455045e-02 -3.940455045e-02 5.02 -3.595903960e-02 -3.595903960e-02 5.04 -3.271175484e-02 -3.271175484e-02 5.06 -2.965155845e-02 -2.965155845e-02 5.08 -2.676789941e-02 -2.676789941e-02 5.10 -2.405078904e-02 -2.405078904e-02 5.12 -2.149077658e-02 -2.149077658e-02 5.14 -1.907892457e-02 -1.907892457e-02 5.16 -1.680678443e-02 -1.680678443e-02 5.18 -1.466637271e-02 -1.466637271e-02 5.20 -1.265014803e-02 -1.265014803e-02 5.22 -1.075098879e-02 -1.075098879e-02 5.24 -8.962171127e-03 -8.962171127e-03 5.26 -7.277320798e-03 -7.277320798e-03 5.28 -5.692232031e-03 -5.692232031e-03 5.30 -4.239987833e-03 -4.239987833e-03 5.32 -3.735783378e-03 -3.735783378e-03 5.34 -3.289413137e-03 -3.289413137e-03 5.36 -2.876190496e-03 -2.876190496e-03 5.38 -2.487659092e-03 -2.487659092e-03 5.40 -2.122391379e-03 -2.122391379e-03 5.42 -1.779039374e-03 -1.779039374e-03 5.44 -1.456330383e-03 -1.456330383e-03 5.46 -1.153062958e-03 -1.153062958e-03 5.48 -8.681030839e-04 -8.681030839e-04 5.50 -6.003805584e-04 -6.003805584e-04 5.52 -3.488855084e-04 -3.488855084e-04 5.54 -1.111487262e-04 -1.111487262e-04 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 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