# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ti-Co # implementation = 2025--Sharifi-H--Cu-Ti-Co--LAMMPS--ipr1 # composition = CoCu2Ti # 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 5.303440331e+02 5.303440331e+02 1.00 4.956331369e+02 4.956331369e+02 1.02 4.626703479e+02 4.626703479e+02 1.04 4.313688609e+02 4.313688609e+02 1.06 4.016618135e+02 4.016618135e+02 1.08 3.734960806e+02 3.734960806e+02 1.10 3.468272831e+02 3.468272831e+02 1.12 3.216159347e+02 3.216159347e+02 1.14 2.978245764e+02 2.978245764e+02 1.16 2.754157432e+02 2.754157432e+02 1.18 2.543506221e+02 2.543506221e+02 1.20 2.345882603e+02 2.345882603e+02 1.22 2.160852020e+02 2.160852020e+02 1.24 1.987954438e+02 1.987954438e+02 1.26 1.826706216e+02 1.826706216e+02 1.28 1.676603503e+02 1.676603503e+02 1.30 1.537126197e+02 1.537126197e+02 1.32 1.407742529e+02 1.407742529e+02 1.34 1.287914479e+02 1.287914479e+02 1.36 1.177102949e+02 1.177102949e+02 1.38 1.074772556e+02 1.074772556e+02 1.40 9.803959502e+01 9.803959502e+01 1.42 8.934575996e+01 8.934575996e+01 1.44 8.134570194e+01 8.134570194e+01 1.46 7.399114265e+01 7.399114265e+01 1.48 6.723578517e+01 6.723578517e+01 1.50 6.103547344e+01 6.103547344e+01 1.52 5.534830463e+01 5.534830463e+01 1.54 5.013469897e+01 5.013469897e+01 1.56 4.535743196e+01 4.535743196e+01 1.58 4.098163438e+01 4.098163438e+01 1.60 3.697476247e+01 3.697476247e+01 1.62 3.330654937e+01 3.330654937e+01 1.64 2.994893866e+01 2.994893866e+01 1.66 2.687600092e+01 2.687600092e+01 1.68 2.406383983e+01 2.406383983e+01 1.70 2.149049034e+01 2.149049034e+01 1.72 1.913581163e+01 1.913581163e+01 1.74 1.698137761e+01 1.698137761e+01 1.76 1.501036625e+01 1.501036625e+01 1.78 1.320744978e+01 1.320744978e+01 1.80 1.155868421e+01 1.155868421e+01 1.82 1.005136820e+01 1.005136820e+01 1.84 8.673938431e+00 8.673938431e+00 1.86 7.415875939e+00 7.415875939e+00 1.88 6.267568111e+00 6.267568111e+00 1.90 5.220155843e+00 5.220155843e+00 1.92 4.265456230e+00 4.265456230e+00 1.94 3.395921835e+00 3.395921835e+00 1.96 2.604601108e+00 2.604601108e+00 1.98 1.885099317e+00 1.885099317e+00 2.00 1.231537559e+00 1.231537559e+00 2.02 6.385097690e-01 6.385097690e-01 2.04 1.010442763e-01 1.010442763e-01 2.06 -3.854310044e-01 -3.854310044e-01 2.08 -8.251205662e-01 -8.251205662e-01 2.10 -1.221890784e+00 -1.221890784e+00 2.12 -1.579296943e+00 -1.579296943e+00 2.14 -1.900608123e+00 -1.900608123e+00 2.16 -2.188830114e+00 -2.188830114e+00 2.18 -2.446726428e+00 -2.446726428e+00 2.20 -2.676837684e+00 -2.676837684e+00 2.22 -2.881499440e+00 -2.881499440e+00 2.24 -3.062862853e+00 -3.062862853e+00 2.26 -3.222914738e+00 -3.222914738e+00 2.28 -3.363480686e+00 -3.363480686e+00 2.30 -3.486236452e+00 -3.486236452e+00 2.32 -3.592719650e+00 -3.592719650e+00 2.34 -3.684310219e+00 -3.684310219e+00 2.36 -3.762229917e+00 -3.762229917e+00 2.38 -3.827604823e+00 -3.827604823e+00 2.40 -3.881477088e+00 -3.881477088e+00 2.42 -3.924811028e+00 -3.924811028e+00 2.44 -3.958498782e+00 -3.958498782e+00 2.46 -3.983365548e+00 -3.983365548e+00 2.48 -4.000174456e+00 -4.000174456e+00 2.50 -4.009631084e+00 -4.009631084e+00 2.52 -4.012387641e+00 -4.012387641e+00 2.54 -4.009046711e+00 -4.009046711e+00 2.56 -4.000164117e+00 -4.000164117e+00 2.58 -3.986253008e+00 -3.986253008e+00 2.60 -3.967787339e+00 -3.967787339e+00 2.62 -3.945204730e+00 -3.945204730e+00 2.64 -3.918909123e+00 -3.918909123e+00 2.66 -3.889273247e+00 -3.889273247e+00 2.68 -3.856640897e+00 -3.856640897e+00 2.70 -3.821329067e+00 -3.821329067e+00 2.72 -3.783629912e+00 -3.783629912e+00 2.74 -3.743812579e+00 -3.743812579e+00 2.76 -3.702124906e+00 -3.702124906e+00 2.78 -3.658794995e+00 -3.658794995e+00 2.80 -3.614032670e+00 -3.614032670e+00 2.82 -3.568030842e+00 -3.568030842e+00 2.84 -3.520966757e+00 -3.520966757e+00 2.86 -3.473003173e+00 -3.473003173e+00 2.88 -3.424289437e+00 -3.424289437e+00 2.90 -3.374962494e+00 -3.374962494e+00 2.92 -3.325147817e+00 -3.325147817e+00 2.94 -3.274960275e+00 -3.274960275e+00 2.96 -3.224504930e+00 -3.224504930e+00 2.98 -3.173877789e+00 -3.173877789e+00 3.00 -3.123166486e+00 -3.123166486e+00 3.02 -3.072635765e+00 -3.072635765e+00 3.04 -3.024604381e+00 -3.024604381e+00 3.06 -2.979825140e+00 -2.979825140e+00 3.08 -2.929339628e+00 -2.929339628e+00 3.10 -2.878996367e+00 -2.878996367e+00 3.12 -2.828960911e+00 -2.828960911e+00 3.14 -2.779277507e+00 -2.779277507e+00 3.16 -2.729986037e+00 -2.729986037e+00 3.18 -2.681122364e+00 -2.681122364e+00 3.20 -2.632718656e+00 -2.632718656e+00 3.22 -2.584803680e+00 -2.584803680e+00 3.24 -2.537403083e+00 -2.537403083e+00 3.26 -2.490539642e+00 -2.490539642e+00 3.28 -2.444233506e+00 -2.444233506e+00 3.30 -2.398502409e+00 -2.398502409e+00 3.32 -2.353361877e+00 -2.353361877e+00 3.34 -2.308825415e+00 -2.308825415e+00 3.36 -2.264904675e+00 -2.264904675e+00 3.38 -2.221609623e+00 -2.221609623e+00 3.40 -2.178948683e+00 -2.178948683e+00 3.42 -2.136928873e+00 -2.136928873e+00 3.44 -2.095555935e+00 -2.095555935e+00 3.46 -2.054834449e+00 -2.054834449e+00 3.48 -2.014767938e+00 -2.014767938e+00 3.50 -1.975358973e+00 -1.975358973e+00 3.52 -1.936609259e+00 -1.936609259e+00 3.54 -1.898519724e+00 -1.898519724e+00 3.56 -1.861090589e+00 -1.861090589e+00 3.58 -1.824321448e+00 -1.824321448e+00 3.60 -1.788211326e+00 -1.788211326e+00 3.62 -1.752758742e+00 -1.752758742e+00 3.64 -1.717961762e+00 -1.717961762e+00 3.66 -1.683818048e+00 -1.683818048e+00 3.68 -1.650324908e+00 -1.650324908e+00 3.70 -1.617479330e+00 -1.617479330e+00 3.72 -1.585278020e+00 -1.585278020e+00 3.74 -1.553717439e+00 -1.553717439e+00 3.76 -1.522793828e+00 -1.522793828e+00 3.78 -1.492503234e+00 -1.492503234e+00 3.80 -1.462841530e+00 -1.462841530e+00 3.82 -1.433804439e+00 -1.433804439e+00 3.84 -1.405387540e+00 -1.405387540e+00 3.86 -1.377586290e+00 -1.377586290e+00 3.88 -1.350396021e+00 -1.350396021e+00 3.90 -1.323811954e+00 -1.323811954e+00 3.92 -1.297829194e+00 -1.297829194e+00 3.94 -1.272442730e+00 -1.272442730e+00 3.96 -1.247647427e+00 -1.247647427e+00 3.98 -1.223438020e+00 -1.223438020e+00 4.00 -1.199809094e+00 -1.199809094e+00 4.02 -1.176755069e+00 -1.176755069e+00 4.04 -1.154270175e+00 -1.154270175e+00 4.06 -1.132348427e+00 -1.132348427e+00 4.08 -1.110983586e+00 -1.110983586e+00 4.10 -1.090169128e+00 -1.090169128e+00 4.12 -1.069898196e+00 -1.069898196e+00 4.14 -1.050163550e+00 -1.050163550e+00 4.16 -1.030957514e+00 -1.030957514e+00 4.18 -1.012271914e+00 -1.012271914e+00 4.20 -9.940980128e-01 -9.940980128e-01 4.22 -9.764264382e-01 -9.764264382e-01 4.24 -9.592471063e-01 -9.592471063e-01 4.26 -9.425752119e-01 -9.425752119e-01 4.28 -9.269699265e-01 -9.269699265e-01 4.30 -9.141436302e-01 -9.141436302e-01 4.32 -9.047314160e-01 -9.047314160e-01 4.34 -8.918392046e-01 -8.918392046e-01 4.36 -8.776098046e-01 -8.776098046e-01 4.38 -8.636986854e-01 -8.636986854e-01 4.40 -8.500836099e-01 -8.500836099e-01 4.42 -8.367415365e-01 -8.367415365e-01 4.44 -8.236488066e-01 -8.236488066e-01 4.46 -8.107813799e-01 -8.107813799e-01 4.48 -7.981151165e-01 -7.981151165e-01 4.50 -7.856261025e-01 -7.856261025e-01 4.52 -7.732910145e-01 -7.732910145e-01 4.54 -7.610875126e-01 -7.610875126e-01 4.56 -7.489946492e-01 -7.489946492e-01 4.58 -7.369932788e-01 -7.369932788e-01 4.60 -7.250664493e-01 -7.250664493e-01 4.62 -7.131997543e-01 -7.131997543e-01 4.64 -7.013816275e-01 -7.013816275e-01 4.66 -6.896035574e-01 -6.896035574e-01 4.68 -6.778602087e-01 -6.778602087e-01 4.70 -6.661494360e-01 -6.661494360e-01 4.72 -6.544721865e-01 -6.544721865e-01 4.74 -6.428322918e-01 -6.428322918e-01 4.76 -6.312361580e-01 -6.312361580e-01 4.78 -6.196923699e-01 -6.196923699e-01 4.80 -6.082112302e-01 -6.082112302e-01 4.82 -5.968042607e-01 -5.968042607e-01 4.84 -5.854836908e-01 -5.854836908e-01 4.86 -5.742619626e-01 -5.742619626e-01 4.88 -5.631512754e-01 -5.631512754e-01 4.90 -5.521631906e-01 -5.521631906e-01 4.92 -5.402015749e-01 -5.402015749e-01 4.94 -5.131707286e-01 -5.131707286e-01 4.96 -4.331146590e-01 -4.331146590e-01 4.98 -2.443336016e-01 -2.443336016e-01 5.00 -1.418436743e-22 -1.419203324e-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 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