# 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 = MgPbW2 # 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 5.494003188e+02 5.494003188e+02 1.30 5.104680759e+02 5.104680759e+02 1.32 4.743987207e+02 4.743987207e+02 1.34 4.409571712e+02 4.409571712e+02 1.36 4.099315914e+02 4.099315914e+02 1.38 3.811310068e+02 3.811310068e+02 1.40 3.543831830e+02 3.543831830e+02 1.42 3.295320772e+02 3.295320772e+02 1.44 3.064350459e+02 3.064350459e+02 1.46 2.849605755e+02 2.849605755e+02 1.48 2.649870377e+02 2.649870377e+02 1.50 2.464023098e+02 2.464023098e+02 1.52 2.291037220e+02 2.291037220e+02 1.54 2.129977667e+02 2.129977667e+02 1.56 1.979993219e+02 1.979993219e+02 1.58 1.840305325e+02 1.840305325e+02 1.60 1.710196127e+02 1.710196127e+02 1.62 1.588998209e+02 1.588998209e+02 1.64 1.476087025e+02 1.476087025e+02 1.66 1.370876221e+02 1.370876221e+02 1.68 1.272815061e+02 1.272815061e+02 1.70 1.181387873e+02 1.181387873e+02 1.72 1.096115096e+02 1.096115096e+02 1.74 1.016555574e+02 1.016555574e+02 1.76 9.423087388e+01 9.423087388e+01 1.78 8.730150010e+01 8.730150010e+01 1.80 8.083530339e+01 8.083530339e+01 1.82 7.480404966e+01 7.480404966e+01 1.84 6.918218275e+01 6.918218275e+01 1.86 6.394492730e+01 6.394492730e+01 1.88 5.906866265e+01 5.906866265e+01 1.90 5.453521211e+01 5.453521211e+01 1.92 5.032502513e+01 5.032502513e+01 1.94 4.641575552e+01 4.641575552e+01 1.96 4.278621000e+01 4.278621000e+01 1.98 3.941639239e+01 3.941639239e+01 2.00 3.628751171e+01 3.628751171e+01 2.02 3.338193113e+01 3.338193113e+01 2.04 3.068307943e+01 3.068307943e+01 2.06 2.817535715e+01 2.817535715e+01 2.08 2.584406493e+01 2.584406493e+01 2.10 2.367537698e+01 2.367537698e+01 2.12 2.165636698e+01 2.165636698e+01 2.14 1.977507095e+01 1.977507095e+01 2.16 1.802056479e+01 1.802056479e+01 2.18 1.638301734e+01 1.638301734e+01 2.20 1.485368774e+01 1.485368774e+01 2.22 1.342486186e+01 1.342486186e+01 2.24 1.208973618e+01 1.208973618e+01 2.26 1.084227432e+01 1.084227432e+01 2.28 9.677056177e+00 9.677056177e+00 2.30 8.589147722e+00 8.589147722e+00 2.32 7.573981961e+00 7.573981961e+00 2.34 6.627283776e+00 6.627283776e+00 2.36 5.745008575e+00 5.745008575e+00 2.38 4.923312641e+00 4.923312641e+00 2.40 4.158540719e+00 4.158540719e+00 2.42 3.447230732e+00 3.447230732e+00 2.44 2.786264923e+00 2.786264923e+00 2.46 2.172503548e+00 2.172503548e+00 2.48 1.602911700e+00 1.602911700e+00 2.50 1.074686941e+00 1.074686941e+00 2.52 5.852501175e-01 5.852501175e-01 2.54 1.322339204e-01 1.322339204e-01 2.56 -2.865309836e-01 -2.865309836e-01 2.58 -6.730309690e-01 -6.730309690e-01 2.60 -1.028878962e+00 -1.028878962e+00 2.62 -1.355167046e+00 -1.355167046e+00 2.64 -1.652937550e+00 -1.652937550e+00 2.66 -1.923237535e+00 -1.923237535e+00 2.68 -2.167123728e+00 -2.167123728e+00 2.70 -2.385662502e+00 -2.385662502e+00 2.72 -2.579929602e+00 -2.579929602e+00 2.74 -2.751007930e+00 -2.751007930e+00 2.76 -2.899983775e+00 -2.899983775e+00 2.78 -3.027942549e+00 -3.027942549e+00 2.80 -3.135966455e+00 -3.135966455e+00 2.82 -3.225133712e+00 -3.225133712e+00 2.84 -3.296523237e+00 -3.296523237e+00 2.86 -3.351222840e+00 -3.351222840e+00 2.88 -3.390340999e+00 -3.390340999e+00 2.90 -3.415020097e+00 -3.415020097e+00 2.92 -3.426448246e+00 -3.426448246e+00 2.94 -3.425866311e+00 -3.425866311e+00 2.96 -3.414566875e+00 -3.414566875e+00 2.98 -3.393882758e+00 -3.393882758e+00 3.00 -3.365164384e+00 -3.365164384e+00 3.02 -3.329747411e+00 -3.329747411e+00 3.04 -3.288913649e+00 -3.288913649e+00 3.06 -3.243853559e+00 -3.243853559e+00 3.08 -3.195627524e+00 -3.195627524e+00 3.10 -3.145142212e+00 -3.145142212e+00 3.12 -3.093134439e+00 -3.093134439e+00 3.14 -3.040175124e+00 -3.040175124e+00 3.16 -2.986669586e+00 -2.986669586e+00 3.18 -2.932880914e+00 -2.932880914e+00 3.20 -2.878949721e+00 -2.878949721e+00 3.22 -2.824917142e+00 -2.824917142e+00 3.24 -2.770747414e+00 -2.770747414e+00 3.26 -2.716349112e+00 -2.716349112e+00 3.28 -2.661594704e+00 -2.661594704e+00 3.30 -2.606338444e+00 -2.606338444e+00 3.32 -2.550432612e+00 -2.550432612e+00 3.34 -2.493805351e+00 -2.493805351e+00 3.36 -2.436296856e+00 -2.436296856e+00 3.38 -2.377672413e+00 -2.377672413e+00 3.40 -2.317779283e+00 -2.317779283e+00 3.42 -2.256586623e+00 -2.256586623e+00 3.44 -2.194033568e+00 -2.194033568e+00 3.46 -2.130039628e+00 -2.130039628e+00 3.48 -2.064679910e+00 -2.064679910e+00 3.50 -1.998122061e+00 -1.998122061e+00 3.52 -1.930421765e+00 -1.930421765e+00 3.54 -1.861754660e+00 -1.861754660e+00 3.56 -1.792471375e+00 -1.792471375e+00 3.58 -1.723040709e+00 -1.723040709e+00 3.60 -1.653992238e+00 -1.653992238e+00 3.62 -1.585864293e+00 -1.585864293e+00 3.64 -1.519161693e+00 -1.519161693e+00 3.66 -1.454325485e+00 -1.454325485e+00 3.68 -1.391714901e+00 -1.391714901e+00 3.70 -1.331600184e+00 -1.331600184e+00 3.72 -1.274163975e+00 -1.274163975e+00 3.74 -1.219508625e+00 -1.219508625e+00 3.76 -1.167667003e+00 -1.167667003e+00 3.78 -1.118614785e+00 -1.118614785e+00 3.80 -1.072282797e+00 -1.072282797e+00 3.82 -1.028568510e+00 -1.028568510e+00 3.84 -9.873461788e-01 -9.873461788e-01 3.86 -9.484754195e-01 -9.484754195e-01 3.88 -9.118082046e-01 -9.118082046e-01 3.90 -8.771943544e-01 -8.771943544e-01 3.92 -8.444851435e-01 -8.444851435e-01 3.94 -8.135385883e-01 -8.135385883e-01 3.96 -7.842179164e-01 -7.842179164e-01 3.98 -7.563954241e-01 -7.563954241e-01 4.00 -7.299525611e-01 -7.299525611e-01 4.02 -7.047802542e-01 -7.047802542e-01 4.04 -6.807789023e-01 -6.807789023e-01 4.06 -6.578581266e-01 -6.578581266e-01 4.08 -6.359363412e-01 -6.359363412e-01 4.10 -6.149383617e-01 -6.149383617e-01 4.12 -5.948024653e-01 -5.948024653e-01 4.14 -5.754675982e-01 -5.754675982e-01 4.16 -5.568812217e-01 -5.568812217e-01 4.18 -5.389963835e-01 -5.389963835e-01 4.20 -5.217710858e-01 -5.217710858e-01 4.22 -5.051676944e-01 -5.051676944e-01 4.24 -4.891523977e-01 -4.891523977e-01 4.26 -4.736947181e-01 -4.736947181e-01 4.28 -4.587670759e-01 -4.587670759e-01 4.30 -4.443444042e-01 -4.443444042e-01 4.32 -4.304038126e-01 -4.304038126e-01 4.34 -4.169242967e-01 -4.169242967e-01 4.36 -4.038864855e-01 -4.038864855e-01 4.38 -3.912724290e-01 -3.912724290e-01 4.40 -3.790654147e-01 -3.790654147e-01 4.42 -3.672498137e-01 -3.672498137e-01 4.44 -3.558109486e-01 -3.558109486e-01 4.46 -3.447349827e-01 -3.447349827e-01 4.48 -3.340088254e-01 -3.340088254e-01 4.50 -3.236200517e-01 -3.236200517e-01 4.52 -3.135568341e-01 -3.135568341e-01 4.54 -3.038078824e-01 -3.038078824e-01 4.56 -2.943623934e-01 -2.943623934e-01 4.58 -2.852100064e-01 -2.852100064e-01 4.60 -2.763407643e-01 -2.763407643e-01 4.62 -2.677450797e-01 -2.677450797e-01 4.64 -2.594137043e-01 -2.594137043e-01 4.66 -2.513377024e-01 -2.513377024e-01 4.68 -2.435084266e-01 -2.435084266e-01 4.70 -2.359174962e-01 -2.359174962e-01 4.72 -2.285567778e-01 -2.285567778e-01 4.74 -2.214183684e-01 -2.214183684e-01 4.76 -2.144945797e-01 -2.144945797e-01 4.78 -2.077779249e-01 -2.077779249e-01 4.80 -2.012601160e-01 -2.012601160e-01 4.82 -1.949361822e-01 -1.949361822e-01 4.84 -1.887979855e-01 -1.887979855e-01 4.86 -1.828386876e-01 -1.828386876e-01 4.88 -1.770516995e-01 -1.770516995e-01 4.90 -1.714306101e-01 -1.714306101e-01 4.92 -1.659691807e-01 -1.659691807e-01 4.94 -1.606613549e-01 -1.606613549e-01 4.96 -1.555012729e-01 -1.555012729e-01 4.98 -1.504832910e-01 -1.504832910e-01 5.00 -1.456020053e-01 -1.456020053e-01 5.02 -1.408522799e-01 -1.408522799e-01 5.04 -1.362292796e-01 -1.362292796e-01 5.06 -1.317285065e-01 -1.317285065e-01 5.08 -1.273458329e-01 -1.273458329e-01 5.10 -1.230775393e-01 -1.230775393e-01 5.12 -1.189203468e-01 -1.189203468e-01 5.14 -1.148714431e-01 -1.148714431e-01 5.16 -1.109284967e-01 -1.109284967e-01 5.18 -1.070896578e-01 -1.070896578e-01 5.20 -1.033535416e-01 -1.033535416e-01 5.22 -9.971919179e-02 -9.971919179e-02 5.24 -9.618602364e-02 -9.618602364e-02 5.26 -9.275368523e-02 -9.275368523e-02 5.28 -8.942172169e-02 -8.942172169e-02 5.30 -8.619024065e-02 -8.619024065e-02 5.32 -8.305940935e-02 -8.305940935e-02 5.34 -8.002925119e-02 -8.002925119e-02 5.36 -7.709954926e-02 -7.709954926e-02 5.38 -7.426976685e-02 -7.426976685e-02 5.40 -7.153898883e-02 -7.153898883e-02 5.42 -6.890588522e-02 -6.890588522e-02 5.44 -6.636869625e-02 -6.636869625e-02 5.46 -6.392523632e-02 -6.392523632e-02 5.48 -6.157291329e-02 -6.157291329e-02 5.50 -5.930875950e-02 -5.930875950e-02 5.52 -5.712947121e-02 -5.712947121e-02 5.54 -5.503145369e-02 -5.503145369e-02 5.56 -5.301087036e-02 -5.301087036e-02 5.58 -5.106369426e-02 -5.106369426e-02 5.60 -4.918576121e-02 -4.918576121e-02 5.62 -4.737282336e-02 -4.737282336e-02 5.64 -4.562060238e-02 -4.562060238e-02 5.66 -4.392484107e-02 -4.392484107e-02 5.68 -4.228135261e-02 -4.228135261e-02 5.70 -4.068606643e-02 -4.068606643e-02 5.72 -3.913507044e-02 -3.913507044e-02 5.74 -3.762464931e-02 -3.762464931e-02 5.76 -3.615131903e-02 -3.615131903e-02 5.78 -3.471185810e-02 -3.471185810e-02 5.80 -3.330333569e-02 -3.330333569e-02 5.82 -3.192313762e-02 -3.192313762e-02 5.84 -3.056899004e-02 -3.056899004e-02 5.86 -2.923898105e-02 -2.923898105e-02 5.88 -2.793157977e-02 -2.793157977e-02 5.90 -2.664565210e-02 -2.664565210e-02 5.92 -2.538047221e-02 -2.538047221e-02 5.94 -2.413572816e-02 -2.413572816e-02 5.96 -2.291152030e-02 -2.291152030e-02 5.98 -2.170835061e-02 -2.170835061e-02 6.00 -2.052710191e-02 -2.052710191e-02