# 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 = Pb2PdTa # 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 4.645835133e+02 4.645835133e+02 1.30 4.341905832e+02 4.341905832e+02 1.32 4.059068220e+02 4.059068220e+02 1.34 3.795676974e+02 3.795676974e+02 1.36 3.550172931e+02 3.550172931e+02 1.38 3.321106449e+02 3.321106449e+02 1.40 3.107162950e+02 3.107162950e+02 1.42 2.907172536e+02 2.907172536e+02 1.44 2.720102328e+02 2.720102328e+02 1.46 2.545040712e+02 2.545040712e+02 1.48 2.381179976e+02 2.381179976e+02 1.50 2.227796747e+02 2.227796747e+02 1.52 2.084228970e+02 2.084228970e+02 1.54 1.949853886e+02 1.949853886e+02 1.56 1.824072796e+02 1.824072796e+02 1.58 1.706305856e+02 1.706305856e+02 1.60 1.595994939e+02 1.595994939e+02 1.62 1.492610001e+02 1.492610001e+02 1.64 1.395654551e+02 1.395654551e+02 1.66 1.304669034e+02 1.304669034e+02 1.68 1.219231899e+02 1.219231899e+02 1.70 1.138957877e+02 1.138957877e+02 1.72 1.063494175e+02 1.063494175e+02 1.74 9.925156606e+01 9.925156606e+01 1.76 9.257213174e+01 9.257213174e+01 1.78 8.628624860e+01 8.628624860e+01 1.80 8.036947452e+01 8.036947452e+01 1.82 7.479938333e+01 7.479938333e+01 1.84 6.956720041e+01 6.956720041e+01 1.86 6.466281229e+01 6.466281229e+01 1.88 6.006642605e+01 6.006642605e+01 1.90 5.575885692e+01 5.575885692e+01 1.92 5.172282345e+01 5.172282345e+01 1.94 4.794270989e+01 4.794270989e+01 1.96 4.440430371e+01 4.440430371e+01 1.98 4.109452381e+01 4.109452381e+01 2.00 3.800112630e+01 3.800112630e+01 2.02 3.511239754e+01 3.511239754e+01 2.04 3.241687612e+01 3.241687612e+01 2.06 2.990317552e+01 2.990317552e+01 2.08 2.755995572e+01 2.755995572e+01 2.10 2.537602449e+01 2.537602449e+01 2.12 2.334052336e+01 2.334052336e+01 2.14 2.144311452e+01 2.144311452e+01 2.16 1.967411837e+01 1.967411837e+01 2.18 1.802458102e+01 1.802458102e+01 2.20 1.648627035e+01 1.648627035e+01 2.22 1.505163245e+01 1.505163245e+01 2.24 1.371372190e+01 1.371372190e+01 2.26 1.246612463e+01 1.246612463e+01 2.28 1.130288533e+01 1.130288533e+01 2.30 1.021843505e+01 1.021843505e+01 2.32 9.207534837e+00 9.207534837e+00 2.34 8.265238224e+00 8.265238224e+00 2.36 7.386865768e+00 7.386865768e+00 2.38 6.568001781e+00 6.568001781e+00 2.40 5.804504309e+00 5.804504309e+00 2.42 5.092523374e+00 5.092523374e+00 2.44 4.428517396e+00 4.428517396e+00 2.46 3.809364379e+00 3.809364379e+00 2.48 3.232094418e+00 3.232094418e+00 2.50 2.693940313e+00 2.693940313e+00 2.52 2.192420998e+00 2.192420998e+00 2.54 1.725292225e+00 1.725292225e+00 2.56 1.290501562e+00 1.290501562e+00 2.58 8.861522509e-01 8.861522509e-01 2.60 5.104841831e-01 5.104841831e-01 2.62 1.619706951e-01 1.619706951e-01 2.64 -1.607595833e-01 -1.607595833e-01 2.66 -4.590400430e-01 -4.590400430e-01 2.68 -7.341679629e-01 -7.341679629e-01 2.70 -9.873989181e-01 -9.873989181e-01 2.72 -1.219943649e+00 -1.219943649e+00 2.74 -1.432965650e+00 -1.432965650e+00 2.76 -1.627579430e+00 -1.627579430e+00 2.78 -1.804849584e+00 -1.804849584e+00 2.80 -1.965791427e+00 -1.965791427e+00 2.82 -2.111372055e+00 -2.111372055e+00 2.84 -2.242513348e+00 -2.242513348e+00 2.86 -2.360210974e+00 -2.360210974e+00 2.88 -2.465541131e+00 -2.465541131e+00 2.90 -2.559170094e+00 -2.559170094e+00 2.92 -2.641731474e+00 -2.641731474e+00 2.94 -2.713843245e+00 -2.713843245e+00 2.96 -2.776102211e+00 -2.776102211e+00 2.98 -2.829078212e+00 -2.829078212e+00 3.00 -2.873309230e+00 -2.873309230e+00 3.02 -2.909300987e+00 -2.909300987e+00 3.04 -2.937557566e+00 -2.937557566e+00 3.06 -2.958572288e+00 -2.958572288e+00 3.08 -2.972802083e+00 -2.972802083e+00 3.10 -2.980676591e+00 -2.980676591e+00 3.12 -2.982604619e+00 -2.982604619e+00 3.14 -2.978988078e+00 -2.978988078e+00 3.16 -2.970218716e+00 -2.970218716e+00 3.18 -2.956689592e+00 -2.956689592e+00 3.20 -2.938795522e+00 -2.938795522e+00 3.22 -2.916933227e+00 -2.916933227e+00 3.24 -2.891499727e+00 -2.891499727e+00 3.26 -2.862889596e+00 -2.862889596e+00 3.28 -2.831491558e+00 -2.831491558e+00 3.30 -2.797684621e+00 -2.797684621e+00 3.32 -2.761833717e+00 -2.761833717e+00 3.34 -2.724284696e+00 -2.724284696e+00 3.36 -2.685358772e+00 -2.685358772e+00 3.38 -2.645346788e+00 -2.645346788e+00 3.40 -2.604504933e+00 -2.604504933e+00 3.42 -2.563110527e+00 -2.563110527e+00 3.44 -2.521318267e+00 -2.521318267e+00 3.46 -2.479195638e+00 -2.479195638e+00 3.48 -2.436780791e+00 -2.436780791e+00 3.50 -2.394084427e+00 -2.394084427e+00 3.52 -2.351093229e+00 -2.351093229e+00 3.54 -2.307774322e+00 -2.307774322e+00 3.56 -2.264080117e+00 -2.264080117e+00 3.58 -2.219943476e+00 -2.219943476e+00 3.60 -2.175269041e+00 -2.175269041e+00 3.62 -2.129963098e+00 -2.129963098e+00 3.64 -2.083942352e+00 -2.083942352e+00 3.66 -2.037139287e+00 -2.037139287e+00 3.68 -1.989507511e+00 -1.989507511e+00 3.70 -1.941026845e+00 -1.941026845e+00 3.72 -1.891707800e+00 -1.891707800e+00 3.74 -1.841594991e+00 -1.841594991e+00 3.76 -1.790769045e+00 -1.790769045e+00 3.78 -1.739346599e+00 -1.739346599e+00 3.80 -1.687478151e+00 -1.687478151e+00 3.82 -1.635343721e+00 -1.635343721e+00 3.84 -1.583146517e+00 -1.583146517e+00 3.86 -1.531105019e+00 -1.531105019e+00 3.88 -1.479444097e+00 -1.479444097e+00 3.90 -1.428385889e+00 -1.428385889e+00 3.92 -1.378140487e+00 -1.378140487e+00 3.94 -1.328901482e+00 -1.328901482e+00 3.96 -1.280835693e+00 -1.280835693e+00 3.98 -1.234082777e+00 -1.234082777e+00 4.00 -1.188752860e+00 -1.188752860e+00 4.02 -1.144926933e+00 -1.144926933e+00 4.04 -1.102658786e+00 -1.102658786e+00 4.06 -1.061977999e+00 -1.061977999e+00 4.08 -1.022893470e+00 -1.022893470e+00 4.10 -9.853946977e-01 -9.853946977e-01 4.12 -9.494648008e-01 -9.494648008e-01 4.14 -9.150680332e-01 -9.150680332e-01 4.16 -8.821627274e-01 -8.821627274e-01 4.18 -8.507001243e-01 -8.507001243e-01 4.20 -8.206256420e-01 -8.206256420e-01 4.22 -7.918799054e-01 -7.918799054e-01 4.24 -7.643996871e-01 -7.643996871e-01 4.26 -7.381188638e-01 -7.381188638e-01 4.28 -7.129694277e-01 -7.129694277e-01 4.30 -6.888825443e-01 -6.888825443e-01 4.32 -6.657896040e-01 -6.657896040e-01 4.34 -6.436232088e-01 -6.436232088e-01 4.36 -6.223180360e-01 -6.223180360e-01 4.38 -6.018115407e-01 -6.018115407e-01 4.40 -5.820444845e-01 -5.820444845e-01 4.42 -5.629612942e-01 -5.629612942e-01 4.44 -5.445102767e-01 -5.445102767e-01 4.46 -5.266437227e-01 -5.266437227e-01 4.48 -5.093179357e-01 -5.093179357e-01 4.50 -4.924932246e-01 -4.924932246e-01 4.52 -4.761338885e-01 -4.761338885e-01 4.54 -4.602082188e-01 -4.602082188e-01 4.56 -4.446885298e-01 -4.446885298e-01 4.58 -4.295512214e-01 -4.295512214e-01 4.60 -4.147768639e-01 -4.147768639e-01 4.62 -4.003502829e-01 -4.003502829e-01 4.64 -3.862606140e-01 -3.862606140e-01 4.66 -3.725012872e-01 -3.725012872e-01 4.68 -3.590698988e-01 -3.590698988e-01 4.70 -3.459679315e-01 -3.459679315e-01 4.72 -3.332002926e-01 -3.332002926e-01 4.74 -3.207746611e-01 -3.207746611e-01 4.76 -3.087006530e-01 -3.087006530e-01 4.78 -2.969888480e-01 -2.969888480e-01 4.80 -2.856482061e-01 -2.856482061e-01 4.82 -2.746913925e-01 -2.746913925e-01 4.84 -2.641238675e-01 -2.641238675e-01 4.86 -2.539500481e-01 -2.539500481e-01 4.88 -2.441709443e-01 -2.441709443e-01 4.90 -2.347838878e-01 -2.347838878e-01 4.92 -2.257825305e-01 -2.257825305e-01 4.94 -2.171570899e-01 -2.171570899e-01 4.96 -2.088947920e-01 -2.088947920e-01 4.98 -2.009804524e-01 -2.009804524e-01 5.00 -1.933971347e-01 -1.933971347e-01 5.02 -1.861268237e-01 -1.861268237e-01 5.04 -1.791510783e-01 -1.791510783e-01 5.06 -1.724516220e-01 -1.724516220e-01 5.08 -1.660108521e-01 -1.660108521e-01 5.10 -1.598122543e-01 -1.598122543e-01 5.12 -1.538407234e-01 -1.538407234e-01 5.14 -1.480827829e-01 -1.480827829e-01 5.16 -1.425267147e-01 -1.425267147e-01 5.18 -1.371626010e-01 -1.371626010e-01 5.20 -1.319822851e-01 -1.319822851e-01 5.22 -1.269792563e-01 -1.269792563e-01 5.24 -1.221484687e-01 -1.221484687e-01 5.26 -1.174861043e-01 -1.174861043e-01 5.28 -1.129891794e-01 -1.129891794e-01 5.30 -1.086548407e-01 -1.086548407e-01 5.32 -1.044814177e-01 -1.044814177e-01 5.34 -1.004673603e-01 -1.004673603e-01 5.36 -9.661081215e-02 -9.661081215e-02 5.38 -9.290940235e-02 -9.290940235e-02 5.40 -8.936009494e-02 -8.936009494e-02 5.42 -8.595910159e-02 -8.595910159e-02 5.44 -8.270185638e-02 -8.270185638e-02 5.46 -7.958304624e-02 -7.958304624e-02 5.48 -7.659668682e-02 -7.659668682e-02 5.50 -7.373623116e-02 -7.373623116e-02 5.52 -7.099469836e-02 -7.099469836e-02 5.54 -6.836481000e-02 -6.836481000e-02 5.56 -6.583912464e-02 -6.583912464e-02 5.58 -6.341016260e-02 -6.341016260e-02 5.60 -6.107051652e-02 -6.107051652e-02 5.62 -5.881294520e-02 -5.881294520e-02 5.64 -5.663045036e-02 -5.663045036e-02 5.66 -5.451633768e-02 -5.451633768e-02 5.68 -5.246426416e-02 -5.246426416e-02 5.70 -5.046827459e-02 -5.046827459e-02 5.72 -4.852283014e-02 -4.852283014e-02 5.74 -4.662283167e-02 -4.662283167e-02 5.76 -4.476364053e-02 -4.476364053e-02 5.78 -4.294109876e-02 -4.294109876e-02 5.80 -4.115154807e-02 -4.115154807e-02 5.82 -3.939185230e-02 -3.939185230e-02 5.84 -3.765942033e-02 -3.765942033e-02 5.86 -3.595222943e-02 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