# 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 = AlNiPb2 # 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 2.503843555e+02 2.503843555e+02 1.30 2.337377227e+02 2.337377227e+02 1.32 2.182458822e+02 2.182458822e+02 1.34 2.038199517e+02 2.038199517e+02 1.36 1.903780943e+02 1.903780943e+02 1.38 1.778441696e+02 1.778441696e+02 1.40 1.661477825e+02 1.661477825e+02 1.42 1.552249483e+02 1.552249483e+02 1.44 1.450182724e+02 1.450182724e+02 1.46 1.354765308e+02 1.354765308e+02 1.48 1.265538830e+02 1.265538830e+02 1.50 1.182086787e+02 1.182086787e+02 1.52 1.104020287e+02 1.104020287e+02 1.54 1.030968223e+02 1.030968223e+02 1.56 9.625746407e+01 9.625746407e+01 1.58 8.985018284e+01 8.985018284e+01 1.60 8.384349936e+01 8.384349936e+01 1.62 7.820869154e+01 7.820869154e+01 1.64 7.292005850e+01 7.292005850e+01 1.66 6.795493975e+01 6.795493975e+01 1.68 6.330236216e+01 6.330236216e+01 1.70 5.894991182e+01 5.894991182e+01 1.72 5.488025304e+01 5.488025304e+01 1.74 5.107524298e+01 5.107524298e+01 1.76 4.751732358e+01 4.751732358e+01 1.78 4.418989734e+01 4.418989734e+01 1.80 4.107744309e+01 4.107744309e+01 1.82 3.816553220e+01 3.816553220e+01 1.84 3.544077516e+01 3.544077516e+01 1.86 3.289073399e+01 3.289073399e+01 1.88 3.050382488e+01 3.050382488e+01 1.90 2.826920078e+01 2.826920078e+01 1.92 2.617665203e+01 2.617665203e+01 1.94 2.421660643e+01 2.421660643e+01 1.96 2.238018848e+01 2.238018848e+01 1.98 2.065929732e+01 2.065929732e+01 2.00 1.904660576e+01 1.904660576e+01 2.02 1.753545886e+01 1.753545886e+01 2.04 1.611971933e+01 1.611971933e+01 2.06 1.479363790e+01 1.479363790e+01 2.08 1.355178979e+01 1.355178979e+01 2.10 1.238905543e+01 1.238905543e+01 2.12 1.130062790e+01 1.130062790e+01 2.14 1.028200563e+01 1.028200563e+01 2.16 9.328975529e+00 9.328975529e+00 2.18 8.437589658e+00 8.437589658e+00 2.20 7.604139012e+00 7.604139012e+00 2.22 6.825137263e+00 6.825137263e+00 2.24 6.097309974e+00 6.097309974e+00 2.26 5.417589037e+00 5.417589037e+00 2.28 4.783109383e+00 4.783109383e+00 2.30 4.191197867e+00 4.191197867e+00 2.32 3.639352684e+00 3.639352684e+00 2.34 3.125224418e+00 3.125224418e+00 2.36 2.646581317e+00 2.646581317e+00 2.38 2.201285445e+00 2.201285445e+00 2.40 1.787277417e+00 1.787277417e+00 2.42 1.402573902e+00 1.402573902e+00 2.44 1.045274780e+00 1.045274780e+00 2.46 7.135765647e-01 7.135765647e-01 2.48 4.057861764e-01 4.057861764e-01 2.50 1.203319839e-01 1.203319839e-01 2.52 -1.442303994e-01 -1.442303994e-01 2.54 -3.892193601e-01 -3.892193601e-01 2.56 -6.158366409e-01 -6.158366409e-01 2.58 -8.251846119e-01 -8.251846119e-01 2.60 -1.018286710e+00 -1.018286710e+00 2.62 -1.196108084e+00 -1.196108084e+00 2.64 -1.359577171e+00 -1.359577171e+00 2.66 -1.509588757e+00 -1.509588757e+00 2.68 -1.647010041e+00 -1.647010041e+00 2.70 -1.772676998e+00 -1.772676998e+00 2.72 -1.887389852e+00 -1.887389852e+00 2.74 -1.992009995e+00 -1.992009995e+00 2.76 -2.087779186e+00 -2.087779186e+00 2.78 -2.175146865e+00 -2.175146865e+00 2.80 -2.254421808e+00 -2.254421808e+00 2.82 -2.325912725e+00 -2.325912725e+00 2.84 -2.389922043e+00 -2.389922043e+00 2.86 -2.446741470e+00 -2.446741470e+00 2.88 -2.496651127e+00 -2.496651127e+00 2.90 -2.539921012e+00 -2.539921012e+00 2.92 -2.576815896e+00 -2.576815896e+00 2.94 -2.607608811e+00 -2.607608811e+00 2.96 -2.632578082e+00 -2.632578082e+00 2.98 -2.652007451e+00 -2.652007451e+00 3.00 -2.666191895e+00 -2.666191895e+00 3.02 -2.675442236e+00 -2.675442236e+00 3.04 -2.680086795e+00 -2.680086795e+00 3.06 -2.680472975e+00 -2.680472975e+00 3.08 -2.676958402e+00 -2.676958402e+00 3.10 -2.669906252e+00 -2.669906252e+00 3.12 -2.659674319e+00 -2.659674319e+00 3.14 -2.646610908e+00 -2.646610908e+00 3.16 -2.631040628e+00 -2.631040628e+00 3.18 -2.613264837e+00 -2.613264837e+00 3.20 -2.593587667e+00 -2.593587667e+00 3.22 -2.572279709e+00 -2.572279709e+00 3.24 -2.549508695e+00 -2.549508695e+00 3.26 -2.525422357e+00 -2.525422357e+00 3.28 -2.500149513e+00 -2.500149513e+00 3.30 -2.473800767e+00 -2.473800767e+00 3.32 -2.446470385e+00 -2.446470385e+00 3.34 -2.418238954e+00 -2.418238954e+00 3.36 -2.389176361e+00 -2.389176361e+00 3.38 -2.359344300e+00 -2.359344300e+00 3.40 -2.328792414e+00 -2.328792414e+00 3.42 -2.297558557e+00 -2.297558557e+00 3.44 -2.265679225e+00 -2.265679225e+00 3.46 -2.233191727e+00 -2.233191727e+00 3.48 -2.200133806e+00 -2.200133806e+00 3.50 -2.166543491e+00 -2.166543491e+00 3.52 -2.132458985e+00 -2.132458985e+00 3.54 -2.097918676e+00 -2.097918676e+00 3.56 -2.062961314e+00 -2.062961314e+00 3.58 -2.027626362e+00 -2.027626362e+00 3.60 -1.991954478e+00 -1.991954478e+00 3.62 -1.955988083e+00 -1.955988083e+00 3.64 -1.919771919e+00 -1.919771919e+00 3.66 -1.883353531e+00 -1.883353531e+00 3.68 -1.846783561e+00 -1.846783561e+00 3.70 -1.810115792e+00 -1.810115792e+00 3.72 -1.773406870e+00 -1.773406870e+00 3.74 -1.736715703e+00 -1.736715703e+00 3.76 -1.700102581e+00 -1.700102581e+00 3.78 -1.663628090e+00 -1.663628090e+00 3.80 -1.627351952e+00 -1.627351952e+00 3.82 -1.591331867e+00 -1.591331867e+00 3.84 -1.555622418e+00 -1.555622418e+00 3.86 -1.520274039e+00 -1.520274039e+00 3.88 -1.485332027e+00 -1.485332027e+00 3.90 -1.450835576e+00 -1.450835576e+00 3.92 -1.416816199e+00 -1.416816199e+00 3.94 -1.383299802e+00 -1.383299802e+00 3.96 -1.350301760e+00 -1.350301760e+00 3.98 -1.317829932e+00 -1.317829932e+00 4.00 -1.285884167e+00 -1.285884167e+00 4.02 -1.254457053e+00 -1.254457053e+00 4.04 -1.223535010e+00 -1.223535010e+00 4.06 -1.193099605e+00 -1.193099605e+00 4.08 -1.163128974e+00 -1.163128974e+00 4.10 -1.133597219e+00 -1.133597219e+00 4.12 -1.104484392e+00 -1.104484392e+00 4.14 -1.075764329e+00 -1.075764329e+00 4.16 -1.047415382e+00 -1.047415382e+00 4.18 -1.019419077e+00 -1.019419077e+00 4.20 -9.917611688e-01 -9.917611688e-01 4.22 -9.644325405e-01 -9.644325405e-01 4.24 -9.374298898e-01 -9.374298898e-01 4.26 -9.107561329e-01 -9.107561329e-01 4.28 -8.844204635e-01 -8.844204635e-01 4.30 -8.584380344e-01 -8.584380344e-01 4.32 -8.328292693e-01 -8.328292693e-01 4.34 -8.076188584e-01 -8.076188584e-01 4.36 -7.828345335e-01 -7.828345335e-01 4.38 -7.585057351e-01 -7.585057351e-01 4.40 -7.346622798e-01 -7.346622798e-01 4.42 -7.113331023e-01 -7.113331023e-01 4.44 -6.885451082e-01 -6.885451082e-01 4.46 -6.663221344e-01 -6.663221344e-01 4.48 -6.446839976e-01 -6.446839976e-01 4.50 -6.236456175e-01 -6.236456175e-01 4.52 -6.032162305e-01 -6.032162305e-01 4.54 -5.833987403e-01 -5.833987403e-01 4.56 -5.641892739e-01 -5.641892739e-01 4.58 -5.455770172e-01 -5.455770172e-01 4.60 -5.275443798e-01 -5.275443798e-01 4.62 -5.100675035e-01 -5.100675035e-01 4.64 -4.931170891e-01 -4.931170891e-01 4.66 -4.766594784e-01 -4.766594784e-01 4.68 -4.606579117e-01 -4.606579117e-01 4.70 -4.450738776e-01 -4.450738776e-01 4.72 -4.298684793e-01 -4.298684793e-01 4.74 -4.150037638e-01 -4.150037638e-01 4.76 -4.004439739e-01 -4.004439739e-01 4.78 -3.861567000e-01 -3.861567000e-01 4.80 -3.721124523e-01 -3.721124523e-01 4.82 -3.582916456e-01 -3.582916456e-01 4.84 -3.446758401e-01 -3.446758401e-01 4.86 -3.312549199e-01 -3.312549199e-01 4.88 -3.180256848e-01 -3.180256848e-01 4.90 -3.049919057e-01 -3.049919057e-01 4.92 -2.921640654e-01 -2.921640654e-01 4.94 -2.795587585e-01 -2.795587585e-01 4.96 -2.671977510e-01 -2.671977510e-01 4.98 -2.551067287e-01 -2.551067287e-01 5.00 -2.433138056e-01 -2.433138056e-01 5.02 -2.318478929e-01 -2.318478929e-01 5.04 -2.207370535e-01 -2.207370535e-01 5.06 -2.100069741e-01 -2.100069741e-01 5.08 -1.996796754e-01 -1.996796754e-01 5.10 -1.897725525e-01 -1.897725525e-01 5.12 -1.802977980e-01 -1.802977980e-01 5.14 -1.712622126e-01 -1.712622126e-01 5.16 -1.626673699e-01 -1.626673699e-01 5.18 -1.545100651e-01 -1.545100651e-01 5.20 -1.467829635e-01 -1.467829635e-01 5.22 -1.394753422e-01 -1.394753422e-01 5.24 -1.325738669e-01 -1.325738669e-01 5.26 -1.260633138e-01 -1.260633138e-01 5.28 -1.199271993e-01 -1.199271993e-01 5.30 -1.141482781e-01 -1.141482781e-01 5.32 -1.087089204e-01 -1.087089204e-01 5.34 -1.035913787e-01 -1.035913787e-01 5.36 -9.877796150e-02 -9.877796150e-02 5.38 -9.425110793e-02 -9.425110793e-02 5.40 -8.999254723e-02 -8.999254723e-02 5.42 -8.598546398e-02 -8.598546398e-02 5.44 -8.221377063e-02 -8.221377063e-02 5.46 -7.866148019e-02 -7.866148019e-02 5.48 -7.531284723e-02 -7.531284723e-02 5.50 -7.215249280e-02 -7.215249280e-02 5.52 -6.916551456e-02 -6.916551456e-02 5.54 -6.633758138e-02 -6.633758138e-02 5.56 -6.365501129e-02 -6.365501129e-02 5.58 -6.110483162e-02 -6.110483162e-02 5.60 -5.867482154e-02 -5.867482154e-02 5.62 -5.635353778e-02 -5.635353778e-02 5.64 -5.413032564e-02 -5.413032564e-02 5.66 -5.199531774e-02 -5.199531774e-02 5.68 -4.993942356e-02 -4.993942356e-02 5.70 -4.795431291e-02 -4.795431291e-02 5.72 -4.603239627e-02 -4.603239627e-02 5.74 -4.416680458e-02 -4.416680458e-02 5.76 -4.235137065e-02 -4.235137065e-02 5.78 -4.058061377e-02 -4.058061377e-02 5.80 -3.884972936e-02 -3.884972936e-02 5.82 -3.715458235e-02 -3.715458235e-02 5.84 -3.549170496e-02 -3.549170496e-02 5.86 -3.385829803e-02 -3.385829803e-02 5.88 -3.225223384e-02 -3.225223384e-02 5.90 -3.067205842e-02 -3.067205842e-02 5.92 -2.911699050e-02 -2.911699050e-02 5.94 -2.758691408e-02 -2.758691408e-02 5.96 -2.608236153e-02 -2.608236153e-02 5.98 -2.460448190e-02 -2.460448190e-02 6.00 -2.315499685e-02 -2.315499685e-02