# 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 = AlMgPd2 # 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 2.568375688e+02 2.568375688e+02 1.30 2.382494633e+02 2.382494633e+02 1.32 2.210128955e+02 2.210128955e+02 1.34 2.050207965e+02 2.050207965e+02 1.36 1.901761307e+02 1.901761307e+02 1.38 1.763897955e+02 1.763897955e+02 1.40 1.635790675e+02 1.635790675e+02 1.42 1.516670638e+02 1.516670638e+02 1.44 1.405832470e+02 1.405832470e+02 1.46 1.302643149e+02 1.302643149e+02 1.48 1.206542464e+02 1.206542464e+02 1.50 1.117029211e+02 1.117029211e+02 1.52 1.033640922e+02 1.033640922e+02 1.54 9.559394245e+01 9.559394245e+01 1.56 8.835063290e+01 8.835063290e+01 1.58 8.159446073e+01 8.159446073e+01 1.60 7.528827017e+01 7.528827017e+01 1.62 6.940884015e+01 6.940884015e+01 1.64 6.395097731e+01 6.395097731e+01 1.66 5.888571300e+01 5.888571300e+01 1.68 5.418713928e+01 5.418713928e+01 1.70 4.983009551e+01 4.983009551e+01 1.72 4.579076402e+01 4.579076402e+01 1.74 4.204634729e+01 4.204634729e+01 1.76 3.857513432e+01 3.857513432e+01 1.78 3.535680007e+01 3.535680007e+01 1.80 3.237266141e+01 3.237266141e+01 1.82 2.960573642e+01 2.960573642e+01 1.84 2.704058819e+01 2.704058819e+01 1.86 2.466301970e+01 2.466301970e+01 1.88 2.245973544e+01 2.245973544e+01 1.90 2.041810678e+01 2.041810678e+01 1.92 1.852612221e+01 1.852612221e+01 1.94 1.677250343e+01 1.677250343e+01 1.96 1.514688274e+01 1.514688274e+01 1.98 1.363991125e+01 1.363991125e+01 2.00 1.224322688e+01 1.224322688e+01 2.02 1.094929977e+01 1.094929977e+01 2.04 9.751235158e+00 9.751235158e+00 2.06 8.642607946e+00 8.642607946e+00 2.08 7.617360234e+00 7.617360234e+00 2.10 6.669755862e+00 6.669755862e+00 2.12 5.794370794e+00 5.794370794e+00 2.14 4.986100495e+00 4.986100495e+00 2.16 4.240171263e+00 4.240171263e+00 2.18 3.552147611e+00 3.552147611e+00 2.20 2.917934497e+00 2.917934497e+00 2.22 2.333771410e+00 2.333771410e+00 2.24 1.796220554e+00 1.796220554e+00 2.26 1.302148911e+00 1.302148911e+00 2.28 8.487041105e-01 8.487041105e-01 2.30 4.332855677e-01 4.332855677e-01 2.32 5.350849902e-02 5.350849902e-02 2.34 -2.928339367e-01 -2.928339367e-01 2.36 -6.078108906e-01 -6.078108906e-01 2.38 -8.933904424e-01 -8.933904424e-01 2.40 -1.151470595e+00 -1.151470595e+00 2.42 -1.383903392e+00 -1.383903392e+00 2.44 -1.592510544e+00 -1.592510544e+00 2.46 -1.779091166e+00 -1.779091166e+00 2.48 -1.945418059e+00 -1.945418059e+00 2.50 -2.093221222e+00 -2.093221222e+00 2.52 -2.224160711e+00 -2.224160711e+00 2.54 -2.339797100e+00 -2.339797100e+00 2.56 -2.441572098e+00 -2.441572098e+00 2.58 -2.531332136e+00 -2.531332136e+00 2.60 -2.610411210e+00 -2.610411210e+00 2.62 -2.679532836e+00 -2.679532836e+00 2.64 -2.739801021e+00 -2.739801021e+00 2.66 -2.792179652e+00 -2.792179652e+00 2.68 -2.836954624e+00 -2.836954624e+00 2.70 -2.874408338e+00 -2.874408338e+00 2.72 -2.904807171e+00 -2.904807171e+00 2.74 -2.928421609e+00 -2.928421609e+00 2.76 -2.945569417e+00 -2.945569417e+00 2.78 -2.956551542e+00 -2.956551542e+00 2.80 -2.961655685e+00 -2.961655685e+00 2.82 -2.961179860e+00 -2.961179860e+00 2.84 -2.955437928e+00 -2.955437928e+00 2.86 -2.944761286e+00 -2.944761286e+00 2.88 -2.929504344e+00 -2.929504344e+00 2.90 -2.910045213e+00 -2.910045213e+00 2.92 -2.886781201e+00 -2.886781201e+00 2.94 -2.860119734e+00 -2.860119734e+00 2.96 -2.830466704e+00 -2.830466704e+00 2.98 -2.798215214e+00 -2.798215214e+00 3.00 -2.763737480e+00 -2.763737480e+00 3.02 -2.727381143e+00 -2.727381143e+00 3.04 -2.689469035e+00 -2.689469035e+00 3.06 -2.650301078e+00 -2.650301078e+00 3.08 -2.610153392e+00 -2.610153392e+00 3.10 -2.569276959e+00 -2.569276959e+00 3.12 -2.527893362e+00 -2.527893362e+00 3.14 -2.486191747e+00 -2.486191747e+00 3.16 -2.444325303e+00 -2.444325303e+00 3.18 -2.402413013e+00 -2.402413013e+00 3.20 -2.360543042e+00 -2.360543042e+00 3.22 -2.318778486e+00 -2.318778486e+00 3.24 -2.277164039e+00 -2.277164039e+00 3.26 -2.235732451e+00 -2.235732451e+00 3.28 -2.194512032e+00 -2.194512032e+00 3.30 -2.153540649e+00 -2.153540649e+00 3.32 -2.112833010e+00 -2.112833010e+00 3.34 -2.072402192e+00 -2.072402192e+00 3.36 -2.032265008e+00 -2.032265008e+00 3.38 -1.992441393e+00 -1.992441393e+00 3.40 -1.952953624e+00 -1.952953624e+00 3.42 -1.913825760e+00 -1.913825760e+00 3.44 -1.875082802e+00 -1.875082802e+00 3.46 -1.836750248e+00 -1.836750248e+00 3.48 -1.798848298e+00 -1.798848298e+00 3.50 -1.761380786e+00 -1.761380786e+00 3.52 -1.724350987e+00 -1.724350987e+00 3.54 -1.687764337e+00 -1.687764337e+00 3.56 -1.651627212e+00 -1.651627212e+00 3.58 -1.615945868e+00 -1.615945868e+00 3.60 -1.580725514e+00 -1.580725514e+00 3.62 -1.545969559e+00 -1.545969559e+00 3.64 -1.511679024e+00 -1.511679024e+00 3.66 -1.477852129e+00 -1.477852129e+00 3.68 -1.444484068e+00 -1.444484068e+00 3.70 -1.411566973e+00 -1.411566973e+00 3.72 -1.379090057e+00 -1.379090057e+00 3.74 -1.347039932e+00 -1.347039932e+00 3.76 -1.315401086e+00 -1.315401086e+00 3.78 -1.284156472e+00 -1.284156472e+00 3.80 -1.253288170e+00 -1.253288170e+00 3.82 -1.222778066e+00 -1.222778066e+00 3.84 -1.192608494e+00 -1.192608494e+00 3.86 -1.162762792e+00 -1.162762792e+00 3.88 -1.133225767e+00 -1.133225767e+00 3.90 -1.103984057e+00 -1.103984057e+00 3.92 -1.075026331e+00 -1.075026331e+00 3.94 -1.046344017e+00 -1.046344017e+00 3.96 -1.017930945e+00 -1.017930945e+00 3.98 -9.897842135e-01 -9.897842135e-01 4.00 -9.619044917e-01 -9.619044917e-01 4.02 -9.342964356e-01 -9.342964356e-01 4.04 -9.069690180e-01 -9.069690180e-01 4.06 -8.799356631e-01 -8.799356631e-01 4.08 -8.532140991e-01 -8.532140991e-01 4.10 -8.268256096e-01 -8.268256096e-01 4.12 -8.007953175e-01 -8.007953175e-01 4.14 -7.751493518e-01 -7.751493518e-01 4.16 -7.499148684e-01 -7.499148684e-01 4.18 -7.251185501e-01 -7.251185501e-01 4.20 -7.007856460e-01 -7.007856460e-01 4.22 -6.769393360e-01 -6.769393360e-01 4.24 -6.536004479e-01 -6.536004479e-01 4.26 -6.307874541e-01 -6.307874541e-01 4.28 -6.085165986e-01 -6.085165986e-01 4.30 -5.868019687e-01 -5.868019687e-01 4.32 -5.656553521e-01 -5.656553521e-01 4.34 -5.450857920e-01 -5.450857920e-01 4.36 -5.250988533e-01 -5.250988533e-01 4.38 -5.056957111e-01 -5.056957111e-01 4.40 -4.868722358e-01 -4.868722358e-01 4.42 -4.686182699e-01 -4.686182699e-01 4.44 -4.509172602e-01 -4.509172602e-01 4.46 -4.337463476e-01 -4.337463476e-01 4.48 -4.170769398e-01 -4.170769398e-01 4.50 -4.008757230e-01 -4.008757230e-01 4.52 -3.851060187e-01 -3.851060187e-01 4.54 -3.697293706e-01 -3.697293706e-01 4.56 -3.547072404e-01 -3.547072404e-01 4.58 -3.400027048e-01 -3.400027048e-01 4.60 -3.255820623e-01 -3.255820623e-01 4.62 -3.114162728e-01 -3.114162728e-01 4.64 -2.974821653e-01 -2.974821653e-01 4.66 -2.837633538e-01 -2.837633538e-01 4.68 -2.702508119e-01 -2.702508119e-01 4.70 -2.569430616e-01 -2.569430616e-01 4.72 -2.438459538e-01 -2.438459538e-01 4.74 -2.309720423e-01 -2.309720423e-01 4.76 -2.183395891e-01 -2.183395891e-01 4.78 -2.059712795e-01 -2.059712795e-01 4.80 -1.938925552e-01 -1.938925552e-01 4.82 -1.821309554e-01 -1.821309554e-01 4.84 -1.707133707e-01 -1.707133707e-01 4.86 -1.596657707e-01 -1.596657707e-01 4.88 -1.490120371e-01 -1.490120371e-01 4.90 -1.387733525e-01 -1.387733525e-01 4.92 -1.289678679e-01 -1.289678679e-01 4.94 -1.196105880e-01 -1.196105880e-01 4.96 -1.107133730e-01 -1.107133730e-01 4.98 -1.022849657e-01 -1.022849657e-01 5.00 -9.433102487e-02 -9.433102487e-02 5.02 -8.685408020e-02 -8.685408020e-02 5.04 -7.985308123e-02 -7.985308123e-02 5.06 -7.332336608e-02 -7.332336608e-02 5.08 -6.725821612e-02 -6.725821612e-02 5.10 -6.164719924e-02 -6.164719924e-02 5.12 -5.647632463e-02 -5.647632463e-02 5.14 -5.172834902e-02 -5.172834902e-02 5.16 -4.738323286e-02 -4.738323286e-02 5.18 -4.341887321e-02 -4.341887321e-02 5.20 -3.981149999e-02 -3.981149999e-02 5.22 -3.653627332e-02 -3.653627332e-02 5.24 -3.356788296e-02 -3.356788296e-02 5.26 -3.088109545e-02 -3.088109545e-02 5.28 -2.845122962e-02 -2.845122962e-02 5.30 -2.625454861e-02 -2.625454861e-02 5.32 -2.426856776e-02 -2.426856776e-02 5.34 -2.247226695e-02 -2.247226695e-02 5.36 -2.084622662e-02 -2.084622662e-02 5.38 -1.937269389e-02 -1.937269389e-02 5.40 -1.803558841e-02 -1.803558841e-02 5.42 -1.682045935e-02 -1.682045935e-02 5.44 -1.571440468e-02 -1.571440468e-02 5.46 -1.470596283e-02 -1.470596283e-02 5.48 -1.378498643e-02 -1.378498643e-02 5.50 -1.294247353e-02 -1.294247353e-02 5.52 -1.217048397e-02 -1.217048397e-02 5.54 -1.146201619e-02 -1.146201619e-02 5.56 -1.081084717e-02 -1.081084717e-02 5.58 -1.021142328e-02 -1.021142328e-02 5.60 -9.658765390e-03 -9.658765390e-03 5.62 -9.148389078e-03 -9.148389078e-03 5.64 -8.676239172e-03 -8.676239172e-03 5.66 -8.238637097e-03 -8.238637097e-03 5.68 -7.832238922e-03 -7.832238922e-03 5.70 -7.454001799e-03 -7.454001799e-03 5.72 -7.101156608e-03 -7.101156608e-03 5.74 -6.771184958e-03 -6.771184958e-03 5.76 -6.461799066e-03 -6.461799066e-03 5.78 -6.170923503e-03 -6.170923503e-03 5.80 -5.896678160e-03 -5.896678160e-03 5.82 -5.637362100e-03 -5.637362100e-03 5.84 -5.391438194e-03 -5.391438194e-03 5.86 -5.157518570e-03 -5.157518570e-03 5.88 -4.934351000e-03 -4.934351000e-03 5.90 -4.720806364e-03 -4.720806364e-03 5.92 -4.515867357e-03 -4.515867357e-03 5.94 -4.318618536e-03 -4.318618536e-03 5.96 -4.128237825e-03 -4.128237825e-03 5.98 -3.943989527e-03 -3.943989527e-03 6.00 -3.765218840e-03 -3.765218840e-03