# 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 = NiPbW2 # 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 3.989470927e+02 3.989470927e+02 1.30 3.701739248e+02 3.701739248e+02 1.32 3.435413231e+02 3.435413231e+02 1.34 3.188688539e+02 3.188688539e+02 1.36 2.959944333e+02 2.959944333e+02 1.38 2.747734450e+02 2.747734450e+02 1.40 2.550771422e+02 2.550771422e+02 1.42 2.367899318e+02 2.367899318e+02 1.44 2.198063513e+02 2.198063513e+02 1.46 2.040287220e+02 2.040287220e+02 1.48 1.893659785e+02 1.893659785e+02 1.50 1.757335457e+02 1.757335457e+02 1.52 1.630537736e+02 1.630537736e+02 1.54 1.512562263e+02 1.512562263e+02 1.56 1.402772821e+02 1.402772821e+02 1.58 1.300590724e+02 1.300590724e+02 1.60 1.205482495e+02 1.205482495e+02 1.62 1.116950657e+02 1.116950657e+02 1.64 1.034528383e+02 1.034528383e+02 1.66 9.577767883e+01 9.577767883e+01 1.68 8.862835260e+01 8.862835260e+01 1.70 8.196629555e+01 8.196629555e+01 1.72 7.575577070e+01 7.575577070e+01 1.74 6.996409627e+01 6.996409627e+01 1.76 6.456179603e+01 6.456179603e+01 1.78 5.952256601e+01 5.952256601e+01 1.80 5.482303304e+01 5.482303304e+01 1.82 5.044251701e+01 5.044251701e+01 1.84 4.636326026e+01 4.636326026e+01 1.86 4.256781575e+01 4.256781575e+01 1.88 3.903928877e+01 3.903928877e+01 1.90 3.576415912e+01 3.576415912e+01 1.92 3.273081547e+01 3.273081547e+01 1.94 2.992247478e+01 2.992247478e+01 1.96 2.732295942e+01 2.732295942e+01 1.98 2.491692489e+01 2.491692489e+01 2.00 2.268990865e+01 2.268990865e+01 2.02 2.062831306e+01 2.062831306e+01 2.04 1.871934241e+01 1.871934241e+01 2.06 1.695092985e+01 1.695092985e+01 2.08 1.531168518e+01 1.531168518e+01 2.10 1.379088722e+01 1.379088722e+01 2.12 1.237852554e+01 1.237852554e+01 2.14 1.106537640e+01 1.106537640e+01 2.16 9.843089815e+00 9.843089815e+00 2.18 8.704251564e+00 8.704251564e+00 2.20 7.642387041e+00 7.642387041e+00 2.22 6.651901184e+00 6.651901184e+00 2.24 5.727958102e+00 5.727958102e+00 2.26 4.866325980e+00 4.866325980e+00 2.28 4.063212379e+00 4.063212379e+00 2.30 3.315125418e+00 3.315125418e+00 2.32 2.618762965e+00 2.618762965e+00 2.34 1.970962437e+00 1.970962437e+00 2.36 1.368684612e+00 1.368684612e+00 2.38 8.090349240e-01 8.090349240e-01 2.40 2.892952293e-01 2.892952293e-01 2.42 -1.930507069e-01 -1.930507069e-01 2.44 -6.401974507e-01 -6.401974507e-01 2.46 -1.054215159e+00 -1.054215159e+00 2.48 -1.437197348e+00 -1.437197348e+00 2.50 -1.791035400e+00 -1.791035400e+00 2.52 -2.117441835e+00 -2.117441835e+00 2.54 -2.417971538e+00 -2.417971538e+00 2.56 -2.694040370e+00 -2.694040370e+00 2.58 -2.946942497e+00 -2.946942497e+00 2.60 -3.177742830e+00 -3.177742830e+00 2.62 -3.386984575e+00 -3.386984575e+00 2.64 -3.575149618e+00 -3.575149618e+00 2.66 -3.742777900e+00 -3.742777900e+00 2.68 -3.890468166e+00 -3.890468166e+00 2.70 -4.018875318e+00 -4.018875318e+00 2.72 -4.128706460e+00 -4.128706460e+00 2.74 -4.220713185e+00 -4.220713185e+00 2.76 -4.295680224e+00 -4.295680224e+00 2.78 -4.354412381e+00 -4.354412381e+00 2.80 -4.397723153e+00 -4.397723153e+00 2.82 -4.426428605e+00 -4.426428605e+00 2.84 -4.441345955e+00 -4.441345955e+00 2.86 -4.443304325e+00 -4.443304325e+00 2.88 -4.433158818e+00 -4.433158818e+00 2.90 -4.411806324e+00 -4.411806324e+00 2.92 -4.380199854e+00 -4.380199854e+00 2.94 -4.339357387e+00 -4.339357387e+00 2.96 -4.290361895e+00 -4.290361895e+00 2.98 -4.234319900e+00 -4.234319900e+00 3.00 -4.172268945e+00 -4.172268945e+00 3.02 -4.105243756e+00 -4.105243756e+00 3.04 -4.034259803e+00 -4.034259803e+00 3.06 -3.960271250e+00 -3.960271250e+00 3.08 -3.884129390e+00 -3.884129390e+00 3.10 -3.806555295e+00 -3.806555295e+00 3.12 -3.728121063e+00 -3.728121063e+00 3.14 -3.649249596e+00 -3.649249596e+00 3.16 -3.570213876e+00 -3.570213876e+00 3.18 -3.491156300e+00 -3.491156300e+00 3.20 -3.412106535e+00 -3.412106535e+00 3.22 -3.333002939e+00 -3.333002939e+00 3.24 -3.253714542e+00 -3.253714542e+00 3.26 -3.174062884e+00 -3.174062884e+00 3.28 -3.093843595e+00 -3.093843595e+00 3.30 -3.012847760e+00 -3.012847760e+00 3.32 -2.930882914e+00 -2.930882914e+00 3.34 -2.847861118e+00 -2.847861118e+00 3.36 -2.763616884e+00 -2.763616884e+00 3.38 -2.677957622e+00 -2.677957622e+00 3.40 -2.590809335e+00 -2.590809335e+00 3.42 -2.502220860e+00 -2.502220860e+00 3.44 -2.412301474e+00 -2.412301474e+00 3.46 -2.321261930e+00 -2.321261930e+00 3.48 -2.229454276e+00 -2.229454276e+00 3.50 -2.137349599e+00 -2.137349599e+00 3.52 -2.045505982e+00 -2.045505982e+00 3.54 -1.954530377e+00 -1.954530377e+00 3.56 -1.865038389e+00 -1.865038389e+00 3.58 -1.777616217e+00 -1.777616217e+00 3.60 -1.692788497e+00 -1.692788497e+00 3.62 -1.610994655e+00 -1.610994655e+00 3.64 -1.532574968e+00 -1.532574968e+00 3.66 -1.457766137e+00 -1.457766137e+00 3.68 -1.386705030e+00 -1.386705030e+00 3.70 -1.319438591e+00 -1.319438591e+00 3.72 -1.255937683e+00 -1.255937683e+00 3.74 -1.196112736e+00 -1.196112736e+00 3.76 -1.139829504e+00 -1.139829504e+00 3.78 -1.086923649e+00 -1.086923649e+00 3.80 -1.037213391e+00 -1.037213391e+00 3.82 -9.905097667e-01 -9.905097667e-01 3.84 -9.466243775e-01 -9.466243775e-01 3.86 -9.053746599e-01 -9.053746599e-01 3.88 -8.665868917e-01 -8.665868917e-01 3.90 -8.300972944e-01 -8.300972944e-01 3.92 -7.957513256e-01 -7.957513256e-01 3.94 -7.634041275e-01 -7.634041275e-01 3.96 -7.329164824e-01 -7.329164824e-01 3.98 -7.041552965e-01 -7.041552965e-01 4.00 -6.769922522e-01 -6.769922522e-01 4.02 -6.513034941e-01 -6.513034941e-01 4.04 -6.269698113e-01 -6.269698113e-01 4.06 -6.038771438e-01 -6.038771438e-01 4.08 -5.819172289e-01 -5.819172289e-01 4.10 -5.609867714e-01 -5.609867714e-01 4.12 -5.409939934e-01 -5.409939934e-01 4.14 -5.218492993e-01 -5.218492993e-01 4.16 -5.034720738e-01 -5.034720738e-01 4.18 -4.857880397e-01 -4.857880397e-01 4.20 -4.687309453e-01 -4.687309453e-01 4.22 -4.522415769e-01 -4.522415769e-01 4.24 -4.362668805e-01 -4.362668805e-01 4.26 -4.207600441e-01 -4.207600441e-01 4.28 -4.056805860e-01 -4.056805860e-01 4.30 -3.909944912e-01 -3.909944912e-01 4.32 -3.766744006e-01 -3.766744006e-01 4.34 -3.626998193e-01 -3.626998193e-01 4.36 -3.490572855e-01 -3.490572855e-01 4.38 -3.357404148e-01 -3.357404148e-01 4.40 -3.227497278e-01 -3.227497278e-01 4.42 -3.100921723e-01 -3.100921723e-01 4.44 -2.977802757e-01 -2.977802757e-01 4.46 -2.858309085e-01 -2.858309085e-01 4.48 -2.742636992e-01 -2.742636992e-01 4.50 -2.630992036e-01 -2.630992036e-01 4.52 -2.523569871e-01 -2.523569871e-01 4.54 -2.420538087e-01 -2.420538087e-01 4.56 -2.322020903e-01 -2.322020903e-01 4.58 -2.228088205e-01 -2.228088205e-01 4.60 -2.138749758e-01 -2.138749758e-01 4.62 -2.053954673e-01 -2.053954673e-01 4.64 -1.973595540e-01 -1.973595540e-01 4.66 -1.897516136e-01 -1.897516136e-01 4.68 -1.825521357e-01 -1.825521357e-01 4.70 -1.757388072e-01 -1.757388072e-01 4.72 -1.692875757e-01 -1.692875757e-01 4.74 -1.631736089e-01 -1.631736089e-01 4.76 -1.573721008e-01 -1.573721008e-01 4.78 -1.518589034e-01 -1.518589034e-01 4.80 -1.466101895e-01 -1.466101895e-01 4.82 -1.416060665e-01 -1.416060665e-01 4.84 -1.368255715e-01 -1.368255715e-01 4.86 -1.322503511e-01 -1.322503511e-01 4.88 -1.278637061e-01 -1.278637061e-01 4.90 -1.236505328e-01 -1.236505328e-01 4.92 -1.195972308e-01 -1.195972308e-01 4.94 -1.156915944e-01 -1.156915944e-01 4.96 -1.119226979e-01 -1.119226979e-01 4.98 -1.082807847e-01 -1.082807847e-01 5.00 -1.047571643e-01 -1.047571643e-01 5.02 -1.013441203e-01 -1.013441203e-01 5.04 -9.803483261e-02 -9.803483261e-02 5.06 -9.482331089e-02 -9.482331089e-02 5.08 -9.170434005e-02 -9.170434005e-02 5.10 -8.867343460e-02 -8.867343460e-02 5.12 -8.572679881e-02 -8.572679881e-02 5.14 -8.286128912e-02 -8.286128912e-02 5.16 -8.007437464e-02 -8.007437464e-02 5.18 -7.736409206e-02 -7.736409206e-02 5.20 -7.472899135e-02 -7.472899135e-02 5.22 -7.216806985e-02 -7.216806985e-02 5.24 -6.968069355e-02 -6.968069355e-02 5.26 -6.726649208e-02 -6.726649208e-02 5.28 -6.492520337e-02 -6.492520337e-02 5.30 -6.265673896e-02 -6.265673896e-02 5.32 -6.046098936e-02 -6.046098936e-02 5.34 -5.833770182e-02 -5.833770182e-02 5.36 -5.628639234e-02 -5.628639234e-02 5.38 -5.430627605e-02 -5.430627605e-02 5.40 -5.239621951e-02 -5.239621951e-02 5.42 -5.055471674e-02 -5.055471674e-02 5.44 -4.877988847e-02 -4.877988847e-02 5.46 -4.706950206e-02 -4.706950206e-02 5.48 -4.542100827e-02 -4.542100827e-02 5.50 -4.383159013e-02 -4.383159013e-02 5.52 -4.229821896e-02 -4.229821896e-02 5.54 -4.081771304e-02 -4.081771304e-02 5.56 -3.938679520e-02 -3.938679520e-02 5.58 -3.800214650e-02 -3.800214650e-02 5.60 -3.666045426e-02 -3.666045426e-02 5.62 -3.535845367e-02 -3.535845367e-02 5.64 -3.409296275e-02 -3.409296275e-02 5.66 -3.286091164e-02 -3.286091164e-02 5.68 -3.165936687e-02 -3.165936687e-02 5.70 -3.048555192e-02 -3.048555192e-02 5.72 -2.933686521e-02 -2.933686521e-02 5.74 -2.821089680e-02 -2.821089680e-02 5.76 -2.710544468e-02 -2.710544468e-02 5.78 -2.601853146e-02 -2.601853146e-02 5.80 -2.494842196e-02 -2.494842196e-02 5.82 -2.389364173e-02 -2.389364173e-02 5.84 -2.285299638e-02 -2.285299638e-02 5.86 -2.182559095e-02 -2.182559095e-02 5.88 -2.081084846e-02 -2.081084846e-02 5.90 -1.980852625e-02 -1.980852625e-02 5.92 -1.881872838e-02 -1.881872838e-02 5.94 -1.784189809e-02 -1.784189809e-02 5.96 -1.687876574e-02 -1.687876574e-02 5.98 -1.593048902e-02 -1.593048902e-02 6.00 -1.499856041e-02 -1.499856041e-02