# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AuNi2Zr # 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 2024-04-11 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 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.274951451e+02 2.274951451e+02 1.30 2.103755817e+02 2.103755817e+02 1.32 1.945360632e+02 1.945360632e+02 1.34 1.798745101e+02 1.798745101e+02 1.36 1.662998789e+02 1.662998789e+02 1.38 1.537294285e+02 1.537294285e+02 1.40 1.420865495e+02 1.420865495e+02 1.42 1.312996919e+02 1.312996919e+02 1.44 1.213017984e+02 1.213017984e+02 1.46 1.120303930e+02 1.120303930e+02 1.48 1.034283079e+02 1.034283079e+02 1.50 9.544425521e+01 9.544425521e+01 1.52 8.803235812e+01 8.803235812e+01 1.54 8.115086542e+01 8.115086542e+01 1.56 7.476070988e+01 7.476070988e+01 1.58 6.882484735e+01 6.882484735e+01 1.60 6.330838708e+01 6.330838708e+01 1.62 5.817911043e+01 5.817911043e+01 1.64 5.340776994e+01 5.340776994e+01 1.66 4.896793809e+01 4.896793809e+01 1.68 4.483551511e+01 4.483551511e+01 1.70 4.098818502e+01 4.098818502e+01 1.72 3.740514846e+01 3.740514846e+01 1.74 3.406714554e+01 3.406714554e+01 1.76 3.095665118e+01 3.095665118e+01 1.78 2.805841035e+01 2.805841035e+01 1.80 2.535985875e+01 2.535985875e+01 1.82 2.285820505e+01 2.285820505e+01 1.84 2.054353970e+01 2.054353970e+01 1.86 1.840354240e+01 1.840354240e+01 1.88 1.642625954e+01 1.642625954e+01 1.90 1.460010429e+01 1.460010429e+01 1.92 1.291392761e+01 1.291392761e+01 1.94 1.135716176e+01 1.135716176e+01 1.96 9.919886049e+00 9.919886049e+00 1.98 8.592907157e+00 8.592907157e+00 2.00 7.367819089e+00 7.367819089e+00 2.02 6.237009818e+00 6.237009818e+00 2.04 5.193608329e+00 5.193608329e+00 2.06 4.231383071e+00 4.231383071e+00 2.08 3.344632553e+00 3.344632553e+00 2.10 2.528073802e+00 2.528073802e+00 2.12 1.776797414e+00 1.776797414e+00 2.14 1.086236676e+00 1.086236676e+00 2.16 4.521633000e-01 4.521633000e-01 2.18 -1.293371736e-01 -1.293371736e-01 2.20 -6.619041868e-01 -6.619041868e-01 2.22 -1.148961548e+00 -1.148961548e+00 2.24 -1.593753011e+00 -1.593753011e+00 2.26 -1.999347227e+00 -1.999347227e+00 2.28 -2.368611912e+00 -2.368611912e+00 2.30 -2.704195539e+00 -2.704195539e+00 2.32 -3.008531175e+00 -3.008531175e+00 2.34 -3.283839124e+00 -3.283839124e+00 2.36 -3.532174063e+00 -3.532174063e+00 2.38 -3.755448495e+00 -3.755448495e+00 2.40 -3.955448256e+00 -3.955448256e+00 2.42 -4.133844565e+00 -4.133844565e+00 2.44 -4.292199256e+00 -4.292199256e+00 2.46 -4.431983486e+00 -4.431983486e+00 2.48 -4.554623790e+00 -4.554623790e+00 2.50 -4.661496241e+00 -4.661496241e+00 2.52 -4.753791270e+00 -4.753791270e+00 2.54 -4.832649474e+00 -4.832649474e+00 2.56 -4.899151053e+00 -4.899151053e+00 2.58 -4.954300475e+00 -4.954300475e+00 2.60 -4.999020104e+00 -4.999020104e+00 2.62 -5.034149262e+00 -5.034149262e+00 2.64 -5.060370390e+00 -5.060370390e+00 2.66 -5.078199158e+00 -5.078199158e+00 2.68 -5.088150032e+00 -5.088150032e+00 2.70 -5.090748410e+00 -5.090748410e+00 2.72 -5.086531928e+00 -5.086531928e+00 2.74 -5.076048008e+00 -5.076048008e+00 2.76 -5.059840460e+00 -5.059840460e+00 2.78 -5.038434212e+00 -5.038434212e+00 2.80 -5.012328861e+00 -5.012328861e+00 2.82 -4.981984544e+00 -4.981984544e+00 2.84 -4.947862190e+00 -4.947862190e+00 2.86 -4.910254675e+00 -4.910254675e+00 2.88 -4.869405232e+00 -4.869405232e+00 2.90 -4.825537651e+00 -4.825537651e+00 2.92 -4.778787652e+00 -4.778787652e+00 2.94 -4.729165343e+00 -4.729165343e+00 2.96 -4.676710116e+00 -4.676710116e+00 2.98 -4.621502874e+00 -4.621502874e+00 3.00 -4.563657318e+00 -4.563657318e+00 3.02 -4.503310935e+00 -4.503310935e+00 3.04 -4.440623718e+00 -4.440623718e+00 3.06 -4.375780650e+00 -4.375780650e+00 3.08 -4.308974698e+00 -4.308974698e+00 3.10 -4.240409565e+00 -4.240409565e+00 3.12 -4.170290824e+00 -4.170290824e+00 3.14 -4.098830232e+00 -4.098830232e+00 3.16 -4.026229637e+00 -4.026229637e+00 3.18 -3.952688333e+00 -3.952688333e+00 3.20 -3.878399449e+00 -3.878399449e+00 3.22 -3.803549806e+00 -3.803549806e+00 3.24 -3.728320603e+00 -3.728320603e+00 3.26 -3.652888574e+00 -3.652888574e+00 3.28 -3.577426813e+00 -3.577426813e+00 3.30 -3.502104291e+00 -3.502104291e+00 3.32 -3.427083334e+00 -3.427083334e+00 3.34 -3.352515059e+00 -3.352515059e+00 3.36 -3.278533680e+00 -3.278533680e+00 3.38 -3.205251184e+00 -3.205251184e+00 3.40 -3.132752737e+00 -3.132752737e+00 3.42 -3.061100435e+00 -3.061100435e+00 3.44 -2.990327723e+00 -2.990327723e+00 3.46 -2.920448284e+00 -2.920448284e+00 3.48 -2.851459294e+00 -2.851459294e+00 3.50 -2.783346216e+00 -2.783346216e+00 3.52 -2.716087189e+00 -2.716087189e+00 3.54 -2.649656736e+00 -2.649656736e+00 3.56 -2.584028724e+00 -2.584028724e+00 3.58 -2.519178592e+00 -2.519178592e+00 3.60 -2.455084936e+00 -2.455084936e+00 3.62 -2.391730522e+00 -2.391730522e+00 3.64 -2.329102873e+00 -2.329102873e+00 3.66 -2.267194581e+00 -2.267194581e+00 3.68 -2.206003552e+00 -2.206003552e+00 3.70 -2.145533383e+00 -2.145533383e+00 3.72 -2.085794047e+00 -2.085794047e+00 3.74 -2.026802971e+00 -2.026802971e+00 3.76 -1.968586457e+00 -1.968586457e+00 3.78 -1.911181225e+00 -1.911181225e+00 3.80 -1.854635684e+00 -1.854635684e+00 3.82 -1.799010422e+00 -1.799010422e+00 3.84 -1.744377365e+00 -1.744377365e+00 3.86 -1.690817223e+00 -1.690817223e+00 3.88 -1.638415107e+00 -1.638415107e+00 3.90 -1.587254664e+00 -1.587254664e+00 3.92 -1.537410062e+00 -1.537410062e+00 3.94 -1.488945498e+00 -1.488945498e+00 3.96 -1.441900897e+00 -1.441900897e+00 3.98 -1.396295444e+00 -1.396295444e+00 4.00 -1.352125214e+00 -1.352125214e+00 4.02 -1.309364730e+00 -1.309364730e+00 4.04 -1.267970184e+00 -1.267970184e+00 4.06 -1.227883600e+00 -1.227883600e+00 4.08 -1.189037288e+00 -1.189037288e+00 4.10 -1.151354023e+00 -1.151354023e+00 4.12 -1.114767549e+00 -1.114767549e+00 4.14 -1.079198913e+00 -1.079198913e+00 4.16 -1.044577452e+00 -1.044577452e+00 4.18 -1.010837457e+00 -1.010837457e+00 4.20 -9.779193333e-01 -9.779193333e-01 4.22 -9.457704038e-01 -9.457704038e-01 4.24 -9.143454487e-01 -9.143454487e-01 4.26 -8.836070607e-01 -8.836070607e-01 4.28 -8.535258665e-01 -8.535258665e-01 4.30 -8.240806463e-01 -8.240806463e-01 4.32 -7.952583660e-01 -7.952583660e-01 4.34 -7.670541184e-01 -7.670541184e-01 4.36 -7.394709510e-01 -7.394709510e-01 4.38 -7.125195311e-01 -7.125195311e-01 4.40 -6.862175777e-01 -6.862175777e-01 4.42 -6.605889741e-01 -6.605889741e-01 4.44 -6.356624824e-01 -6.356624824e-01 4.46 -6.114700196e-01 -6.114700196e-01 4.48 -5.880445207e-01 -5.880445207e-01 4.50 -5.654175033e-01 -5.654175033e-01 4.52 -5.436165280e-01 -5.436165280e-01 4.54 -5.226628110e-01 -5.226628110e-01 4.56 -5.025692507e-01 -5.025692507e-01 4.58 -4.833390883e-01 -4.833390883e-01 4.60 -4.649653334e-01 -4.649653334e-01 4.62 -4.474309771e-01 -4.474309771e-01 4.64 -4.307099049e-01 -4.307099049e-01 4.66 -4.147683507e-01 -4.147683507e-01 4.68 -3.995666838e-01 -3.995666838e-01 4.70 -3.850613290e-01 -3.850613290e-01 4.72 -3.712066447e-01 -3.712066447e-01 4.74 -3.579565761e-01 -3.579565761e-01 4.76 -3.452659536e-01 -3.452659536e-01 4.78 -3.330923341e-01 -3.330923341e-01 4.80 -3.213931767e-01 -3.213931767e-01 4.82 -3.101396607e-01 -3.101396607e-01 4.84 -2.992963140e-01 -2.992963140e-01 4.86 -2.888357357e-01 -2.888357357e-01 4.88 -2.787347526e-01 -2.787347526e-01 4.90 -2.689742429e-01 -2.689742429e-01 4.92 -2.595388195e-01 -2.595388195e-01 4.94 -2.504163935e-01 -2.504163935e-01 4.96 -2.415976422e-01 -2.415976422e-01 4.98 -2.330754082e-01 -2.330754082e-01 5.00 -2.248440610e-01 -2.248440610e-01 5.02 -2.168988579e-01 -2.168988579e-01 5.04 -2.092353422e-01 -2.092353422e-01 5.06 -2.018488135e-01 -2.018488135e-01 5.08 -1.947339018e-01 -1.947339018e-01 5.10 -1.878842650e-01 -1.878842650e-01 5.12 -1.812924186e-01 -1.812924186e-01 5.14 -1.749496948e-01 -1.749496948e-01 5.16 -1.688463179e-01 -1.688463179e-01 5.18 -1.629715742e-01 -1.629715742e-01 5.20 -1.573140532e-01 -1.573140532e-01 5.22 -1.518619327e-01 -1.518619327e-01 5.24 -1.466032867e-01 -1.466032867e-01 5.26 -1.415263936e-01 -1.415263936e-01 5.28 -1.366200311e-01 -1.366200311e-01 5.30 -1.318737442e-01 -1.318737442e-01 5.32 -1.272780756e-01 -1.272780756e-01 5.34 -1.228247523e-01 -1.228247523e-01 5.36 -1.185068191e-01 -1.185068191e-01 5.38 -1.143187124e-01 -1.143187124e-01 5.40 -1.102562691e-01 -1.102562691e-01 5.42 -1.063166647e-01 -1.063166647e-01 5.44 -1.024982812e-01 -1.024982812e-01 5.46 -9.880050774e-02 -9.880050774e-02 5.48 -9.522348525e-02 -9.522348525e-02 5.50 -9.176781053e-02 -9.176781053e-02 5.52 -8.843422302e-02 -8.843422302e-02 5.54 -8.522329807e-02 -8.522329807e-02 5.56 -8.213517188e-02 -8.213517188e-02 5.58 -7.916931926e-02 -7.916931926e-02 5.60 -7.632429359e-02 -7.632429359e-02 5.62 -7.359780165e-02 -7.359780165e-02 5.64 -7.098680412e-02 -7.098680412e-02 5.66 -6.848737593e-02 -6.848737593e-02 5.68 -6.609481627e-02 -6.609481627e-02 5.70 -6.380379117e-02 -6.380379117e-02 5.72 -6.160849060e-02 -6.160849060e-02 5.74 -5.950278562e-02 -5.950278562e-02 5.76 -5.748037396e-02 -5.748037396e-02 5.78 -5.553490699e-02 -5.553490699e-02 5.80 -5.366009432e-02 -5.366009432e-02 5.82 -5.184978512e-02 -5.184978512e-02 5.84 -5.009802810e-02 -5.009802810e-02 5.86 -4.839911275e-02 -4.839911275e-02 5.88 -4.674759588e-02 -4.674759588e-02 5.90 -4.513831752e-02 -4.513831752e-02 5.92 -4.356640994e-02 -4.356640994e-02 5.94 -4.202730371e-02 -4.202730371e-02 5.96 -4.051673384e-02 -4.051673384e-02 5.98 -3.903074873e-02 -3.903074873e-02 6.00 -3.756572399e-02 -3.756572399e-02