# 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 = Co2CuTi # 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 4.836629912e+02 4.836629912e+02 1.00 4.490178727e+02 4.490178727e+02 1.02 4.171133238e+02 4.171133238e+02 1.04 3.877561685e+02 3.877561685e+02 1.06 3.605837654e+02 3.605837654e+02 1.08 3.353174722e+02 3.353174722e+02 1.10 3.117425487e+02 3.117425487e+02 1.12 2.896923356e+02 2.896923356e+02 1.14 2.690359474e+02 2.690359474e+02 1.16 2.496687883e+02 2.496687883e+02 1.18 2.315053378e+02 2.315053378e+02 1.20 2.144737141e+02 2.144737141e+02 1.22 1.985116390e+02 1.985116390e+02 1.24 1.835634994e+02 1.835634994e+02 1.26 1.695782484e+02 1.695782484e+02 1.28 1.565079458e+02 1.565079458e+02 1.30 1.443067529e+02 1.443067529e+02 1.32 1.329302926e+02 1.329302926e+02 1.34 1.223353129e+02 1.223353129e+02 1.36 1.124795275e+02 1.124795275e+02 1.38 1.033215746e+02 1.033215746e+02 1.40 9.482105363e+01 9.482105363e+01 1.42 8.693860772e+01 8.693860772e+01 1.44 7.963602813e+01 7.963602813e+01 1.46 7.287636498e+01 7.287636498e+01 1.48 6.662403228e+01 6.662403228e+01 1.50 6.084490044e+01 6.084490044e+01 1.52 5.550637187e+01 5.550637187e+01 1.54 5.057743753e+01 5.057743753e+01 1.56 4.602871391e+01 4.602871391e+01 1.58 4.183246280e+01 4.183246280e+01 1.60 3.796260830e+01 3.796260830e+01 1.62 3.439471030e+01 3.439471030e+01 1.64 3.110592116e+01 3.110592116e+01 1.66 2.807494634e+01 2.807494634e+01 1.68 2.528199567e+01 2.528199567e+01 1.70 2.270872665e+01 2.270872665e+01 1.72 2.033818129e+01 2.033818129e+01 1.74 1.815471353e+01 1.815471353e+01 1.76 1.614390982e+01 1.614390982e+01 1.78 1.429249953e+01 1.429249953e+01 1.80 1.258825778e+01 1.258825778e+01 1.82 1.101993765e+01 1.101993765e+01 1.84 9.577224336e+00 9.577224336e+00 1.86 8.250670317e+00 8.250670317e+00 1.88 7.031593433e+00 7.031593433e+00 1.90 5.911939925e+00 5.911939925e+00 1.92 4.884221703e+00 4.884221703e+00 1.94 3.941489448e+00 3.941489448e+00 1.96 3.077305869e+00 3.077305869e+00 1.98 2.285718633e+00 2.285718633e+00 2.00 1.561233112e+00 1.561233112e+00 2.02 8.987801974e-01 8.987801974e-01 2.04 2.936779240e-01 2.936779240e-01 2.06 -2.584002097e-01 -2.584002097e-01 2.08 -7.614531083e-01 -7.614531083e-01 2.10 -1.219177726e+00 -1.219177726e+00 2.12 -1.634992584e+00 -1.634992584e+00 2.14 -2.012059421e+00 -2.012059421e+00 2.16 -2.353303110e+00 -2.353303110e+00 2.18 -2.661429862e+00 -2.661429862e+00 2.20 -2.938943383e+00 -2.938943383e+00 2.22 -3.188160018e+00 -3.188160018e+00 2.24 -3.411224084e+00 -3.411224084e+00 2.26 -3.610121537e+00 -3.610121537e+00 2.28 -3.786692004e+00 -3.786692004e+00 2.30 -3.942639854e+00 -3.942639854e+00 2.32 -4.079543946e+00 -4.079543946e+00 2.34 -4.198836329e+00 -4.198836329e+00 2.36 -4.301800135e+00 -4.301800135e+00 2.38 -4.389630631e+00 -4.389630631e+00 2.40 -4.463445666e+00 -4.463445666e+00 2.42 -4.524290587e+00 -4.524290587e+00 2.44 -4.573142828e+00 -4.573142828e+00 2.46 -4.610916201e+00 -4.610916201e+00 2.48 -4.638464921e+00 -4.638464921e+00 2.50 -4.656612699e+00 -4.656612699e+00 2.52 -4.666261115e+00 -4.666261115e+00 2.54 -4.668277622e+00 -4.668277622e+00 2.56 -4.663449350e+00 -4.663449350e+00 2.58 -4.652490150e+00 -4.652490150e+00 2.60 -4.636047089e+00 -4.636047089e+00 2.62 -4.614706385e+00 -4.614706385e+00 2.64 -4.588998835e+00 -4.588998835e+00 2.66 -4.559404773e+00 -4.559404773e+00 2.68 -4.526358589e+00 -4.526358589e+00 2.70 -4.490252870e+00 -4.490252870e+00 2.72 -4.451442172e+00 -4.451442172e+00 2.74 -4.410246453e+00 -4.410246453e+00 2.76 -4.366954221e+00 -4.366954221e+00 2.78 -4.321825386e+00 -4.321825386e+00 2.80 -4.275093873e+00 -4.275093873e+00 2.82 -4.226969989e+00 -4.226969989e+00 2.84 -4.177642588e+00 -4.177642588e+00 2.86 -4.127281031e+00 -4.127281031e+00 2.88 -4.076036975e+00 -4.076036975e+00 2.90 -4.024045995e+00 -4.024045995e+00 2.92 -3.971429055e+00 -3.971429055e+00 2.94 -3.918293844e+00 -3.918293844e+00 2.96 -3.864735986e+00 -3.864735986e+00 2.98 -3.810840138e+00 -3.810840138e+00 3.00 -3.756680976e+00 -3.756680976e+00 3.02 -3.702461882e+00 -3.702461882e+00 3.04 -3.649912789e+00 -3.649912789e+00 3.06 -3.599587550e+00 -3.599587550e+00 3.08 -3.544823411e+00 -3.544823411e+00 3.10 -3.489968546e+00 -3.489968546e+00 3.12 -3.435140071e+00 -3.435140071e+00 3.14 -3.380363155e+00 -3.380363155e+00 3.16 -3.325658079e+00 -3.325658079e+00 3.18 -3.271040605e+00 -3.271040605e+00 3.20 -3.216522311e+00 -3.216522311e+00 3.22 -3.162110888e+00 -3.162110888e+00 3.24 -3.107810406e+00 -3.107810406e+00 3.26 -3.053621556e+00 -3.053621556e+00 3.28 -2.999541868e+00 -2.999541868e+00 3.30 -2.945565918e+00 -2.945565918e+00 3.32 -2.891685517e+00 -2.891685517e+00 3.34 -2.837889904e+00 -2.837889904e+00 3.36 -2.784165940e+00 -2.784165940e+00 3.38 -2.730498303e+00 -2.730498303e+00 3.40 -2.676869716e+00 -2.676869716e+00 3.42 -2.623261197e+00 -2.623261197e+00 3.44 -2.569652340e+00 -2.569652340e+00 3.46 -2.516021664e+00 -2.516021664e+00 3.48 -2.462347010e+00 -2.462347010e+00 3.50 -2.408606024e+00 -2.408606024e+00 3.52 -2.354776733e+00 -2.354776733e+00 3.54 -2.300838225e+00 -2.300838225e+00 3.56 -2.246771454e+00 -2.246771454e+00 3.58 -2.192560179e+00 -2.192560179e+00 3.60 -2.138192044e+00 -2.138192044e+00 3.62 -2.083659806e+00 -2.083659806e+00 3.64 -2.028962714e+00 -2.028962714e+00 3.66 -1.974107998e+00 -1.974107998e+00 3.68 -1.919112477e+00 -1.919112477e+00 3.70 -1.864004203e+00 -1.864004203e+00 3.72 -1.808824102e+00 -1.808824102e+00 3.74 -1.753627498e+00 -1.753627498e+00 3.76 -1.698485433e+00 -1.698485433e+00 3.78 -1.643485631e+00 -1.643485631e+00 3.80 -1.588732976e+00 -1.588732976e+00 3.82 -1.534349333e+00 -1.534349333e+00 3.84 -1.480472598e+00 -1.480472598e+00 3.86 -1.427254831e+00 -1.427254831e+00 3.88 -1.374859432e+00 -1.374859432e+00 3.90 -1.323457338e+00 -1.323457338e+00 3.92 -1.273222326e+00 -1.273222326e+00 3.94 -1.224325600e+00 -1.224325600e+00 3.96 -1.176929922e+00 -1.176929922e+00 3.98 -1.131183617e+00 -1.131183617e+00 4.00 -1.087214859e+00 -1.087214859e+00 4.02 -1.045126634e+00 -1.045126634e+00 4.04 -1.004992759e+00 -1.004992759e+00 4.06 -9.668552645e-01 -9.668552645e-01 4.08 -9.307233452e-01 -9.307233452e-01 4.10 -8.965739433e-01 -8.965739433e-01 4.12 -8.643539057e-01 -8.643539057e-01 4.14 -8.339835209e-01 -8.339835209e-01 4.16 -8.053611383e-01 -8.053611383e-01 4.18 -7.783685088e-01 -7.783685088e-01 4.20 -7.528764519e-01 -7.528764519e-01 4.22 -7.287504634e-01 -7.287504634e-01 4.24 -7.058559236e-01 -7.058559236e-01 4.26 -6.836884102e-01 -6.836884102e-01 4.28 -6.546240323e-01 -6.546240323e-01 4.30 -5.978472374e-01 -5.978472374e-01 4.32 -5.047766613e-01 -5.047766613e-01 4.34 -4.660686321e-01 -4.660686321e-01 4.36 -4.517264064e-01 -4.517264064e-01 4.38 -4.377793508e-01 -4.377793508e-01 4.40 -4.242017760e-01 -4.242017760e-01 4.42 -4.109737245e-01 -4.109737245e-01 4.44 -3.980796471e-01 -3.980796471e-01 4.46 -3.855072718e-01 -3.855072718e-01 4.48 -3.732466826e-01 -3.732466826e-01 4.50 -3.612896042e-01 -3.612896042e-01 4.52 -3.496288699e-01 -3.496288699e-01 4.54 -3.382580428e-01 -3.382580428e-01 4.56 -3.271711591e-01 -3.271711591e-01 4.58 -3.163625601e-01 -3.163625601e-01 4.60 -3.058267887e-01 -3.058267887e-01 4.62 -2.955585272e-01 -2.955585272e-01 4.64 -2.855525621e-01 -2.855525621e-01 4.66 -2.758037649e-01 -2.758037649e-01 4.68 -2.663070818e-01 -2.663070818e-01 4.70 -2.570575291e-01 -2.570575291e-01 4.72 -2.480501899e-01 -2.480501899e-01 4.74 -2.392802126e-01 -2.392802126e-01 4.76 -2.307428105e-01 -2.307428105e-01 4.78 -2.224332609e-01 -2.224332609e-01 4.80 -2.143469045e-01 -2.143469045e-01 4.82 -2.064791449e-01 -2.064791449e-01 4.84 -1.988254487e-01 -1.988254487e-01 4.86 -1.913813446e-01 -1.913813446e-01 4.88 -1.841424234e-01 -1.841424234e-01 4.90 -1.771043377e-01 -1.771043377e-01 4.92 -1.698783036e-01 -1.698783036e-01 4.94 -1.577433991e-01 -1.577433991e-01 4.96 -1.290271985e-01 -1.290271985e-01 4.98 -6.953042321e-02 -6.953042321e-02 5.00 -8.001614791e-23 -7.998488488e-23 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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0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00