# 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 = AuMo2Ti # 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 3.289092033e+02 3.289092033e+02 1.30 3.049344468e+02 3.049344468e+02 1.32 2.827334580e+02 2.827334580e+02 1.34 2.621554901e+02 2.621554901e+02 1.36 2.430669573e+02 2.430669573e+02 1.38 2.253501447e+02 2.253501447e+02 1.40 2.089003258e+02 2.089003258e+02 1.42 1.936221469e+02 1.936221469e+02 1.44 1.794269584e+02 1.794269584e+02 1.46 1.662319793e+02 1.662319793e+02 1.48 1.539607700e+02 1.539607700e+02 1.50 1.425439205e+02 1.425439205e+02 1.52 1.319191655e+02 1.319191655e+02 1.54 1.220306873e+02 1.220306873e+02 1.56 1.128278734e+02 1.128278734e+02 1.58 1.042640330e+02 1.042640330e+02 1.60 9.629540711e+01 9.629540711e+01 1.62 8.888052612e+01 8.888052612e+01 1.64 8.197985781e+01 8.197985781e+01 1.66 7.555569783e+01 7.555569783e+01 1.68 6.957227391e+01 6.957227391e+01 1.70 6.399602334e+01 6.399602334e+01 1.72 5.879598856e+01 5.879598856e+01 1.74 5.394423937e+01 5.394423937e+01 1.76 4.941614449e+01 4.941614449e+01 1.78 4.519029290e+01 4.519029290e+01 1.80 4.124801825e+01 4.124801825e+01 1.82 3.757268073e+01 3.757268073e+01 1.84 3.415292091e+01 3.415292091e+01 1.86 3.098857354e+01 3.098857354e+01 1.88 2.806444558e+01 2.806444558e+01 1.90 2.536403175e+01 2.536403175e+01 1.92 2.287136925e+01 2.287136925e+01 1.94 2.057115337e+01 2.057115337e+01 1.96 1.844885955e+01 1.844885955e+01 1.98 1.649084681e+01 1.649084681e+01 2.00 1.468440782e+01 1.468440782e+01 2.02 1.301774484e+01 1.301774484e+01 2.04 1.147988699e+01 1.147988699e+01 2.06 1.006059125e+01 1.006059125e+01 2.08 8.750270170e+00 8.750270170e+00 2.10 7.539967608e+00 7.539967608e+00 2.12 6.421378126e+00 6.421378126e+00 2.14 5.386888089e+00 5.386888089e+00 2.16 4.429613896e+00 4.429613896e+00 2.18 3.543416135e+00 3.543416135e+00 2.20 2.722876803e+00 2.722876803e+00 2.22 1.963236483e+00 1.963236483e+00 2.24 1.260299265e+00 1.260299265e+00 2.26 6.103204652e-01 6.103204652e-01 2.28 9.896737195e-03 9.896737195e-03 2.30 -5.441225164e-01 -5.441225164e-01 2.32 -1.054690212e+00 -1.054690212e+00 2.34 -1.524583579e+00 -1.524583579e+00 2.36 -1.956406846e+00 -1.956406846e+00 2.38 -2.352590185e+00 -2.352590185e+00 2.40 -2.715395508e+00 -2.715395508e+00 2.42 -3.046929942e+00 -3.046929942e+00 2.44 -3.349161985e+00 -3.349161985e+00 2.46 -3.623935598e+00 -3.623935598e+00 2.48 -3.872979673e+00 -3.872979673e+00 2.50 -4.097913164e+00 -4.097913164e+00 2.52 -4.300247452e+00 -4.300247452e+00 2.54 -4.481388013e+00 -4.481388013e+00 2.56 -4.642637177e+00 -4.642637177e+00 2.58 -4.785198831e+00 -4.785198831e+00 2.60 -4.910184649e+00 -4.910184649e+00 2.62 -5.018514178e+00 -5.018514178e+00 2.64 -5.110967192e+00 -5.110967192e+00 2.66 -5.188678278e+00 -5.188678278e+00 2.68 -5.252702122e+00 -5.252702122e+00 2.70 -5.304003705e+00 -5.304003705e+00 2.72 -5.343476808e+00 -5.343476808e+00 2.74 -5.371972399e+00 -5.371972399e+00 2.76 -5.390335040e+00 -5.390335040e+00 2.78 -5.399197348e+00 -5.399197348e+00 2.80 -5.398731372e+00 -5.398731372e+00 2.82 -5.389053683e+00 -5.389053683e+00 2.84 -5.370357537e+00 -5.370357537e+00 2.86 -5.342906584e+00 -5.342906584e+00 2.88 -5.307033008e+00 -5.307033008e+00 2.90 -5.263142208e+00 -5.263142208e+00 2.92 -5.211746968e+00 -5.211746968e+00 2.94 -5.153254317e+00 -5.153254317e+00 2.96 -5.088113105e+00 -5.088113105e+00 2.98 -5.016866705e+00 -5.016866705e+00 3.00 -4.940132787e+00 -4.940132787e+00 3.02 -4.858576219e+00 -4.858576219e+00 3.04 -4.772875826e+00 -4.772875826e+00 3.06 -4.683687682e+00 -4.683687682e+00 3.08 -4.591604564e+00 -4.591604564e+00 3.10 -4.497124708e+00 -4.497124708e+00 3.12 -4.400640271e+00 -4.400640271e+00 3.14 -4.302432258e+00 -4.302432258e+00 3.16 -4.202676483e+00 -4.202676483e+00 3.18 -4.101459595e+00 -4.101459595e+00 3.20 -3.998800547e+00 -3.998800547e+00 3.22 -3.894674509e+00 -3.894674509e+00 3.24 -3.789036835e+00 -3.789036835e+00 3.26 -3.681845739e+00 -3.681845739e+00 3.28 -3.573083118e+00 -3.573083118e+00 3.30 -3.462773228e+00 -3.462773228e+00 3.32 -3.350998906e+00 -3.350998906e+00 3.34 -3.237914768e+00 -3.237914768e+00 3.36 -3.123756538e+00 -3.123756538e+00 3.38 -3.008845506e+00 -3.008845506e+00 3.40 -2.893587152e+00 -2.893587152e+00 3.42 -2.778463405e+00 -2.778463405e+00 3.44 -2.664018307e+00 -2.664018307e+00 3.46 -2.550838104e+00 -2.550838104e+00 3.48 -2.439527015e+00 -2.439527015e+00 3.50 -2.330680779e+00 -2.330680779e+00 3.52 -2.224860287e+00 -2.224860287e+00 3.54 -2.122567508e+00 -2.122567508e+00 3.56 -2.024225629e+00 -2.024225629e+00 3.58 -1.930164815e+00 -1.930164815e+00 3.60 -1.840614437e+00 -1.840614437e+00 3.62 -1.755701970e+00 -1.755701970e+00 3.64 -1.675458135e+00 -1.675458135e+00 3.66 -1.599827217e+00 -1.599827217e+00 3.68 -1.528681041e+00 -1.528681041e+00 3.70 -1.461834833e+00 -1.461834833e+00 3.72 -1.399063315e+00 -1.399063315e+00 3.74 -1.340115649e+00 -1.340115649e+00 3.76 -1.284728373e+00 -1.284728373e+00 3.78 -1.232635863e+00 -1.232635863e+00 3.80 -1.183578281e+00 -1.183578281e+00 3.82 -1.137307198e+00 -1.137307198e+00 3.84 -1.093589233e+00 -1.093589233e+00 3.86 -1.052208093e+00 -1.052208093e+00 3.88 -1.012965404e+00 -1.012965404e+00 3.90 -9.756806417e-01 -9.756806417e-01 3.92 -9.401904588e-01 -9.401904588e-01 3.94 -9.063477394e-01 -9.063477394e-01 3.96 -8.740202019e-01 -8.740202019e-01 3.98 -8.430891838e-01 -8.430891838e-01 4.00 -8.134482969e-01 -8.134482969e-01 4.02 -7.850021811e-01 -7.850021811e-01 4.04 -7.576653685e-01 -7.576653685e-01 4.06 -7.313612784e-01 -7.313612784e-01 4.08 -7.060213556e-01 -7.060213556e-01 4.10 -6.815842689e-01 -6.815842689e-01 4.12 -6.579956691e-01 -6.579956691e-01 4.14 -6.352071810e-01 -6.352071810e-01 4.16 -6.131764109e-01 -6.131764109e-01 4.18 -5.918665327e-01 -5.918665327e-01 4.20 -5.712459950e-01 -5.712459950e-01 4.22 -5.512882051e-01 -5.512882051e-01 4.24 -5.319711440e-01 -5.319711440e-01 4.26 -5.132768735e-01 -5.132768735e-01 4.28 -4.951909121e-01 -4.951909121e-01 4.30 -4.777014758e-01 -4.777014758e-01 4.32 -4.607986075e-01 -4.607986075e-01 4.34 -4.444732453e-01 -4.444732453e-01 4.36 -4.287162986e-01 -4.287162986e-01 4.38 -4.135178122e-01 -4.135178122e-01 4.40 -3.988662899e-01 -3.988662899e-01 4.42 -3.847482306e-01 -3.847482306e-01 4.44 -3.711479045e-01 -3.711479045e-01 4.46 -3.580473573e-01 -3.580473573e-01 4.48 -3.454265007e-01 -3.454265007e-01 4.50 -3.332635057e-01 -3.332635057e-01 4.52 -3.215356620e-01 -3.215356620e-01 4.54 -3.102193752e-01 -3.102193752e-01 4.56 -2.992906204e-01 -2.992906204e-01 4.58 -2.887253675e-01 -2.887253675e-01 4.60 -2.784999389e-01 -2.784999389e-01 4.62 -2.685912978e-01 -2.685912978e-01 4.64 -2.589772770e-01 -2.589772770e-01 4.66 -2.496367625e-01 -2.496367625e-01 4.68 -2.405498479e-01 -2.405498479e-01 4.70 -2.316979767e-01 -2.316979767e-01 4.72 -2.230640855e-01 -2.230640855e-01 4.74 -2.146327607e-01 -2.146327607e-01 4.76 -2.063904121e-01 -2.063904121e-01 4.78 -1.983254664e-01 -1.983254664e-01 4.80 -1.904285323e-01 -1.904285323e-01 4.82 -1.826927869e-01 -1.826927869e-01 4.84 -1.751138915e-01 -1.751138915e-01 4.86 -1.676903395e-01 -1.676903395e-01 4.88 -1.604234911e-01 -1.604234911e-01 4.90 -1.533175603e-01 -1.533175603e-01 4.92 -1.463794752e-01 -1.463794752e-01 4.94 -1.396185907e-01 -1.396185907e-01 4.96 -1.330462412e-01 -1.330462412e-01 4.98 -1.266751402e-01 -1.266751402e-01 5.00 -1.205186521e-01 -1.205186521e-01 5.02 -1.145899775e-01 -1.145899775e-01 5.04 -1.089013138e-01 -1.089013138e-01 5.06 -1.034630573e-01 -1.034630573e-01 5.08 -9.828306564e-02 -9.828306564e-02 5.10 -9.336611889e-02 -9.336611889e-02 5.12 -8.871389830e-02 -8.871389830e-02 5.14 -8.432467284e-02 -8.432467284e-02 5.16 -8.019340891e-02 -8.019340891e-02 5.18 -7.631207983e-02 -7.631207983e-02 5.20 -7.267010848e-02 -7.267010848e-02 5.22 -6.925488894e-02 -6.925488894e-02 5.24 -6.605233497e-02 -6.605233497e-02 5.26 -6.304741107e-02 -6.304741107e-02 5.28 -6.022461326e-02 -6.022461326e-02 5.30 -5.756837937e-02 -5.756837937e-02 5.32 -5.506341958e-02 -5.506341958e-02 5.34 -5.269496728e-02 -5.269496728e-02 5.36 -5.044895642e-02 -5.044895642e-02 5.38 -4.831213844e-02 -4.831213844e-02 5.40 -4.627214749e-02 -4.627214749e-02 5.42 -4.431752837e-02 -4.431752837e-02 5.44 -4.243773998e-02 -4.243773998e-02 5.46 -4.062314417e-02 -4.062314417e-02 5.48 -3.886498922e-02 -3.886498922e-02 5.50 -3.715539497e-02 -3.715539497e-02 5.52 -3.548734512e-02 -3.548734512e-02 5.54 -3.385469035e-02 -3.385469035e-02 5.56 -3.225216319e-02 -3.225216319e-02 5.58 -3.067540369e-02 -3.067540369e-02 5.60 -2.912099797e-02 -2.912099797e-02 5.62 -2.758652094e-02 -2.758652094e-02 5.64 -2.607057809e-02 -2.607057809e-02 5.66 -2.457283859e-02 -2.457283859e-02 5.68 -2.309405004e-02 -2.309405004e-02 5.70 -2.163602506e-02 -2.163602506e-02 5.72 -2.020159039e-02 -2.020159039e-02 5.74 -1.879449096e-02 -1.879449096e-02 5.76 -1.741924520e-02 -1.741924520e-02 5.78 -1.608080928e-02 -1.608080928e-02 5.80 -1.478456830e-02 -1.478456830e-02 5.82 -1.353613783e-02 -1.353613783e-02 5.84 -1.234093353e-02 -1.234093353e-02 5.86 -1.120390345e-02 -1.120390345e-02 5.88 -1.012928922e-02 -1.012928922e-02 5.90 -9.120433834e-03 -9.120433834e-03 5.92 -8.179649314e-03 -8.179649314e-03 5.94 -7.308150518e-03 -7.308150518e-03 5.96 -6.506054893e-03 -6.506054893e-03 5.98 -5.772441478e-03 -5.772441478e-03 6.00 -5.105457823e-03 -5.105457823e-03