# 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 = PbPd2Pt # 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 3.851956663e+02 3.851956663e+02 1.30 3.592579232e+02 3.592579232e+02 1.32 3.350822226e+02 3.350822226e+02 1.34 3.125330042e+02 3.125330042e+02 1.36 2.914864307e+02 2.914864307e+02 1.38 2.718303694e+02 2.718303694e+02 1.40 2.534646679e+02 2.534646679e+02 1.42 2.363002143e+02 2.363002143e+02 1.44 2.202555819e+02 2.202555819e+02 1.46 2.052534284e+02 2.052534284e+02 1.48 1.912193203e+02 1.912193203e+02 1.50 1.780825093e+02 1.780825093e+02 1.52 1.657765321e+02 1.657765321e+02 1.54 1.542392427e+02 1.542392427e+02 1.56 1.434131256e+02 1.434131256e+02 1.58 1.332461371e+02 1.332461371e+02 1.60 1.236921648e+02 1.236921648e+02 1.62 1.147103548e+02 1.147103548e+02 1.64 1.062635655e+02 1.062635655e+02 1.66 9.831707209e+01 9.831707209e+01 1.68 9.083831650e+01 9.083831650e+01 1.70 8.379738540e+01 8.379738540e+01 1.72 7.716821087e+01 7.716821087e+01 1.74 7.098667754e+01 7.098667754e+01 1.76 6.526787127e+01 6.526787127e+01 1.78 5.997605945e+01 5.997605945e+01 1.80 5.507706934e+01 5.507706934e+01 1.82 5.053922202e+01 5.053922202e+01 1.84 4.633396645e+01 4.633396645e+01 1.86 4.243610110e+01 4.243610110e+01 1.88 3.882353145e+01 3.882353145e+01 1.90 3.547665855e+01 3.547665855e+01 1.92 3.237760477e+01 3.237760477e+01 1.94 2.950954671e+01 2.950954671e+01 1.96 2.685633210e+01 2.685633210e+01 1.98 2.440240965e+01 2.440240965e+01 2.00 2.213295657e+01 2.213295657e+01 2.02 2.003404879e+01 2.003404879e+01 2.04 1.809276761e+01 1.809276761e+01 2.06 1.629721815e+01 1.629721815e+01 2.08 1.463648368e+01 1.463648368e+01 2.10 1.310054344e+01 1.310054344e+01 2.12 1.168018647e+01 1.168018647e+01 2.14 1.036693277e+01 1.036693277e+01 2.16 9.152971641e+00 9.152971641e+00 2.18 8.031117818e+00 8.031117818e+00 2.20 6.994775234e+00 6.994775234e+00 2.22 6.037904640e+00 6.037904640e+00 2.24 5.154986684e+00 5.154986684e+00 2.26 4.340980528e+00 4.340980528e+00 2.28 3.591277745e+00 3.591277745e+00 2.30 2.901652600e+00 2.901652600e+00 2.32 2.268208672e+00 2.268208672e+00 2.34 1.687328388e+00 1.687328388e+00 2.36 1.155624443e+00 1.155624443e+00 2.38 6.699009744e-01 6.699009744e-01 2.40 2.271242441e-01 2.271242441e-01 2.42 -1.755987592e-01 -1.755987592e-01 2.44 -5.410394712e-01 -5.410394712e-01 2.46 -8.719262582e-01 -8.719262582e-01 2.48 -1.172050206e+00 -1.172050206e+00 2.50 -1.444051689e+00 -1.444051689e+00 2.52 -1.689969240e+00 -1.689969240e+00 2.54 -1.911823582e+00 -1.911823582e+00 2.56 -2.111573800e+00 -2.111573800e+00 2.58 -2.291063871e+00 -2.291063871e+00 2.60 -2.451974191e+00 -2.451974191e+00 2.62 -2.595791191e+00 -2.595791191e+00 2.64 -2.723803996e+00 -2.723803996e+00 2.66 -2.837118145e+00 -2.837118145e+00 2.68 -2.936687604e+00 -2.936687604e+00 2.70 -3.023347518e+00 -3.023347518e+00 2.72 -3.097844048e+00 -3.097844048e+00 2.74 -3.160920298e+00 -3.160920298e+00 2.76 -3.213723678e+00 -3.213723678e+00 2.78 -3.256738030e+00 -3.256738030e+00 2.80 -3.290297534e+00 -3.290297534e+00 2.82 -3.314764970e+00 -3.314764970e+00 2.84 -3.330535315e+00 -3.330535315e+00 2.86 -3.338042397e+00 -3.338042397e+00 2.88 -3.337767742e+00 -3.337767742e+00 2.90 -3.330248605e+00 -3.330248605e+00 2.92 -3.316082971e+00 -3.316082971e+00 2.94 -3.295960471e+00 -3.295960471e+00 2.96 -3.270645478e+00 -3.270645478e+00 2.98 -3.240903834e+00 -3.240903834e+00 3.00 -3.207471167e+00 -3.207471167e+00 3.02 -3.171023134e+00 -3.171023134e+00 3.04 -3.132150229e+00 -3.132150229e+00 3.06 -3.091347062e+00 -3.091347062e+00 3.08 -3.049004297e+00 -3.049004297e+00 3.10 -3.005420995e+00 -3.005420995e+00 3.12 -2.960818423e+00 -2.960818423e+00 3.14 -2.915361313e+00 -2.915361313e+00 3.16 -2.869171415e+00 -2.869171415e+00 3.18 -2.822345303e+00 -2.822345303e+00 3.20 -2.774964116e+00 -2.774964116e+00 3.22 -2.727100146e+00 -2.727100146e+00 3.24 -2.678820344e+00 -2.678820344e+00 3.26 -2.630205391e+00 -2.630205391e+00 3.28 -2.581396163e+00 -2.581396163e+00 3.30 -2.532486204e+00 -2.532486204e+00 3.32 -2.483553830e+00 -2.483553830e+00 3.34 -2.434671039e+00 -2.434671039e+00 3.36 -2.385905894e+00 -2.385905894e+00 3.38 -2.337324094e+00 -2.337324094e+00 3.40 -2.288989596e+00 -2.288989596e+00 3.42 -2.240965141e+00 -2.240965141e+00 3.44 -2.193310374e+00 -2.193310374e+00 3.46 -2.146076474e+00 -2.146076474e+00 3.48 -2.099307482e+00 -2.099307482e+00 3.50 -2.053044140e+00 -2.053044140e+00 3.52 -2.007322767e+00 -2.007322767e+00 3.54 -1.962174359e+00 -1.962174359e+00 3.56 -1.917623948e+00 -1.917623948e+00 3.58 -1.873690245e+00 -1.873690245e+00 3.60 -1.830385547e+00 -1.830385547e+00 3.62 -1.787715883e+00 -1.787715883e+00 3.64 -1.745681373e+00 -1.745681373e+00 3.66 -1.704276753e+00 -1.704276753e+00 3.68 -1.663492007e+00 -1.663492007e+00 3.70 -1.623313056e+00 -1.623313056e+00 3.72 -1.583722440e+00 -1.583722440e+00 3.74 -1.544699961e+00 -1.544699961e+00 3.76 -1.506223256e+00 -1.506223256e+00 3.78 -1.468268322e+00 -1.468268322e+00 3.80 -1.430810006e+00 -1.430810006e+00 3.82 -1.393822504e+00 -1.393822504e+00 3.84 -1.357279883e+00 -1.357279883e+00 3.86 -1.321156653e+00 -1.321156653e+00 3.88 -1.285428365e+00 -1.285428365e+00 3.90 -1.250072245e+00 -1.250072245e+00 3.92 -1.215067622e+00 -1.215067622e+00 3.94 -1.180397671e+00 -1.180397671e+00 3.96 -1.146048584e+00 -1.146048584e+00 3.98 -1.112011639e+00 -1.112011639e+00 4.00 -1.078283922e+00 -1.078283922e+00 4.02 -1.044869467e+00 -1.044869467e+00 4.04 -1.011780407e+00 -1.011780407e+00 4.06 -9.790380303e-01 -9.790380303e-01 4.08 -9.466735347e-01 -9.466735347e-01 4.10 -9.147273652e-01 -9.147273652e-01 4.12 -8.832527504e-01 -8.832527504e-01 4.14 -8.523082791e-01 -8.523082791e-01 4.16 -8.219601506e-01 -8.219601506e-01 4.18 -7.922780924e-01 -7.922780924e-01 4.20 -7.633317828e-01 -7.633317828e-01 4.22 -7.351869140e-01 -7.351869140e-01 4.24 -7.079012622e-01 -7.079012622e-01 4.26 -6.815211602e-01 -6.815211602e-01 4.28 -6.560787288e-01 -6.560787288e-01 4.30 -6.315901304e-01 -6.315901304e-01 4.32 -6.080549676e-01 -6.080549676e-01 4.34 -5.854568007e-01 -5.854568007e-01 4.36 -5.637646219e-01 -5.637646219e-01 4.38 -5.429350330e-01 -5.429350330e-01 4.40 -5.229148361e-01 -5.229148361e-01 4.42 -5.036437611e-01 -5.036437611e-01 4.44 -4.850571060e-01 -4.850571060e-01 4.46 -4.670881376e-01 -4.670881376e-01 4.48 -4.496701748e-01 -4.496701748e-01 4.50 -4.327383392e-01 -4.327383392e-01 4.52 -4.162310029e-01 -4.162310029e-01 4.54 -4.000909892e-01 -4.000909892e-01 4.56 -3.842665926e-01 -3.842665926e-01 4.58 -3.687124730e-01 -3.687124730e-01 4.60 -3.533904696e-01 -3.533904696e-01 4.62 -3.382703499e-01 -3.382703499e-01 4.64 -3.233304885e-01 -3.233304885e-01 4.66 -3.085584397e-01 -3.085584397e-01 4.68 -2.939513488e-01 -2.939513488e-01 4.70 -2.795161304e-01 -2.795161304e-01 4.72 -2.652693366e-01 -2.652693366e-01 4.74 -2.512366461e-01 -2.512366461e-01 4.76 -2.374519274e-01 -2.374519274e-01 4.78 -2.239558597e-01 -2.239558597e-01 4.80 -2.107933674e-01 -2.107933674e-01 4.82 -1.980147079e-01 -1.980147079e-01 4.84 -1.856680900e-01 -1.856680900e-01 4.86 -1.738007574e-01 -1.738007574e-01 4.88 -1.624557489e-01 -1.624557489e-01 4.90 -1.516698370e-01 -1.516698370e-01 4.92 -1.414718892e-01 -1.414718892e-01 4.94 -1.318817463e-01 -1.318817463e-01 4.96 -1.229096694e-01 -1.229096694e-01 4.98 -1.145563502e-01 -1.145563502e-01 5.00 -1.068134444e-01 -1.068134444e-01 5.02 -9.966452298e-02 -9.966452298e-02 5.04 -9.308595569e-02 -9.308595569e-02 5.06 -8.704876502e-02 -8.704876502e-02 5.08 -8.152086058e-02 -8.152086058e-02 5.10 -7.646737367e-02 -7.646737367e-02 5.12 -7.185202267e-02 -7.185202267e-02 5.14 -6.763828792e-02 -6.763828792e-02 5.16 -6.379035599e-02 -6.379035599e-02 5.18 -6.027384211e-02 -6.027384211e-02 5.20 -5.705629477e-02 -5.705629477e-02 5.22 -5.410752176e-02 -5.410752176e-02 5.24 -5.139976408e-02 -5.139976408e-02 5.26 -4.890774811e-02 -4.890774811e-02 5.28 -4.660864523e-02 -4.660864523e-02 5.30 -4.448211061e-02 -4.448211061e-02 5.32 -4.251012446e-02 -4.251012446e-02 5.34 -4.067619241e-02 -4.067619241e-02 5.36 -3.896567521e-02 -3.896567521e-02 5.38 -3.736561745e-02 -3.736561745e-02 5.40 -3.586455501e-02 -3.586455501e-02 5.42 -3.445233419e-02 -3.445233419e-02 5.44 -3.311994859e-02 -3.311994859e-02 5.46 -3.185939323e-02 -3.185939323e-02 5.48 -3.066353560e-02 -3.066353560e-02 5.50 -2.952600330e-02 -2.952600330e-02 5.52 -2.844108680e-02 -2.844108680e-02 5.54 -2.740365587e-02 -2.740365587e-02 5.56 -2.640908795e-02 -2.640908795e-02 5.58 -2.545320699e-02 -2.545320699e-02 5.60 -2.453223123e-02 -2.453223123e-02 5.62 -2.364272868e-02 -2.364272868e-02 5.64 -2.278158039e-02 -2.278158039e-02 5.66 -2.194594935e-02 -2.194594935e-02 5.68 -2.113325454e-02 -2.113325454e-02 5.70 -2.034115056e-02 -2.034115056e-02 5.72 -1.956751218e-02 -1.956751218e-02 5.74 -1.881042343e-02 -1.881042343e-02 5.76 -1.806817093e-02 -1.806817093e-02 5.78 -1.733924111e-02 -1.733924111e-02 5.80 -1.662232100e-02 -1.662232100e-02 5.82 -1.591630202e-02 -1.591630202e-02 5.84 -1.522028610e-02 -1.522028610e-02 5.86 -1.453359339e-02 -1.453359339e-02 5.88 -1.385577055e-02 -1.385577055e-02 5.90 -1.318659837e-02 -1.318659837e-02 5.92 -1.252609761e-02 -1.252609761e-02 5.94 -1.187452615e-02 -1.187452615e-02 5.96 -1.123234561e-02 -1.123234561e-02 5.98 -1.060029177e-02 -1.060029177e-02 6.00 -9.979327472e-03 -9.979327472e-03