# 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 = Pt2WZr # 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 5.112829448e+02 5.112829448e+02 1.30 4.781621466e+02 4.781621466e+02 1.32 4.472289195e+02 4.472289195e+02 1.34 4.183170191e+02 4.183170191e+02 1.36 3.912871682e+02 3.912871682e+02 1.38 3.660208648e+02 3.660208648e+02 1.40 3.424124334e+02 3.424124334e+02 1.42 3.203623306e+02 3.203623306e+02 1.44 2.997711354e+02 2.997711354e+02 1.46 2.805359271e+02 2.805359271e+02 1.48 2.625522875e+02 2.625522875e+02 1.50 2.457201872e+02 2.457201872e+02 1.52 2.299484464e+02 2.299484464e+02 1.54 2.151550656e+02 2.151550656e+02 1.56 2.012653429e+02 2.012653429e+02 1.58 1.882094799e+02 1.882094799e+02 1.60 1.759211956e+02 1.759211956e+02 1.62 1.643375697e+02 1.643375697e+02 1.64 1.534002629e+02 1.534002629e+02 1.66 1.430572377e+02 1.430572377e+02 1.68 1.332643703e+02 1.332643703e+02 1.70 1.239860326e+02 1.239860326e+02 1.72 1.151942704e+02 1.151942704e+02 1.74 1.068666735e+02 1.068666735e+02 1.76 9.898383351e+01 9.898383351e+01 1.78 9.152752093e+01 9.152752093e+01 1.80 8.448027701e+01 8.448027701e+01 1.82 7.782578497e+01 7.782578497e+01 1.84 7.154948928e+01 7.154948928e+01 1.86 6.563849654e+01 6.563849654e+01 1.88 6.008056535e+01 6.008056535e+01 1.90 5.486238308e+01 5.486238308e+01 1.92 4.996824541e+01 4.996824541e+01 1.94 4.537964991e+01 4.537964991e+01 1.96 4.107453265e+01 4.107453265e+01 1.98 3.704491472e+01 3.704491472e+01 2.00 3.334091897e+01 3.334091897e+01 2.02 2.993992291e+01 2.993992291e+01 2.04 2.681245666e+01 2.681245666e+01 2.06 2.393341942e+01 2.393341942e+01 2.08 2.128133268e+01 2.128133268e+01 2.10 1.883760679e+01 1.883760679e+01 2.12 1.658578148e+01 1.658578148e+01 2.14 1.451092730e+01 1.451092730e+01 2.16 1.259920566e+01 1.259920566e+01 2.18 1.083767553e+01 1.083767553e+01 2.20 9.214311142e+00 9.214311142e+00 2.22 7.718091337e+00 7.718091337e+00 2.24 6.339067661e+00 6.339067661e+00 2.26 5.068360786e+00 5.068360786e+00 2.28 3.898078959e+00 3.898078959e+00 2.30 2.821221261e+00 2.821221261e+00 2.32 1.831557329e+00 1.831557329e+00 2.34 9.234721080e-01 9.234721080e-01 2.36 9.186899388e-02 9.186899388e-02 2.38 -6.679473360e-01 -6.679473360e-01 2.40 -1.360372564e+00 -1.360372564e+00 2.42 -1.989601480e+00 -1.989601480e+00 2.44 -2.559710255e+00 -2.559710255e+00 2.46 -3.074726893e+00 -3.074726893e+00 2.48 -3.538667418e+00 -3.538667418e+00 2.50 -3.955536480e+00 -3.955536480e+00 2.52 -4.329291774e+00 -4.329291774e+00 2.54 -4.663776706e+00 -4.663776706e+00 2.56 -4.962630024e+00 -4.962630024e+00 2.58 -5.229189138e+00 -5.229189138e+00 2.60 -5.466411608e+00 -5.466411608e+00 2.62 -5.676820079e+00 -5.676820079e+00 2.64 -5.862492653e+00 -5.862492653e+00 2.66 -6.025271596e+00 -6.025271596e+00 2.68 -6.166728248e+00 -6.166728248e+00 2.70 -6.288228316e+00 -6.288228316e+00 2.72 -6.391013110e+00 -6.391013110e+00 2.74 -6.476276535e+00 -6.476276535e+00 2.76 -6.545036081e+00 -6.545036081e+00 2.78 -6.598255886e+00 -6.598255886e+00 2.80 -6.636872133e+00 -6.636872133e+00 2.82 -6.661882890e+00 -6.661882890e+00 2.84 -6.675941259e+00 -6.675941259e+00 2.86 -6.679870984e+00 -6.679870984e+00 2.88 -6.673839134e+00 -6.673839134e+00 2.90 -6.657938561e+00 -6.657938561e+00 2.92 -6.632321136e+00 -6.632321136e+00 2.94 -6.597271639e+00 -6.597271639e+00 2.96 -6.553205043e+00 -6.553205043e+00 2.98 -6.500654234e+00 -6.500654234e+00 3.00 -6.440245772e+00 -6.440245772e+00 3.02 -6.372664960e+00 -6.372664960e+00 3.04 -6.298612710e+00 -6.298612710e+00 3.06 -6.218777061e+00 -6.218777061e+00 3.08 -6.133784659e+00 -6.133784659e+00 3.10 -6.044193278e+00 -6.044193278e+00 3.12 -5.950478510e+00 -5.950478510e+00 3.14 -5.853045827e+00 -5.853045827e+00 3.16 -5.752223885e+00 -5.752223885e+00 3.18 -5.648288065e+00 -5.648288065e+00 3.20 -5.541471382e+00 -5.541471382e+00 3.22 -5.431978844e+00 -5.431978844e+00 3.24 -5.320001862e+00 -5.320001862e+00 3.26 -5.205732260e+00 -5.205732260e+00 3.28 -5.089374945e+00 -5.089374945e+00 3.30 -4.971157900e+00 -4.971157900e+00 3.32 -4.851338274e+00 -4.851338274e+00 3.34 -4.730204139e+00 -4.730204139e+00 3.36 -4.608072504e+00 -4.608072504e+00 3.38 -4.485284939e+00 -4.485284939e+00 3.40 -4.362201308e+00 -4.362201308e+00 3.42 -4.239197972e+00 -4.239197972e+00 3.44 -4.116655968e+00 -4.116655968e+00 3.46 -3.994958704e+00 -3.994958704e+00 3.48 -3.874482942e+00 -3.874482942e+00 3.50 -3.755589565e+00 -3.755589565e+00 3.52 -3.638613495e+00 -3.638613495e+00 3.54 -3.523853702e+00 -3.523853702e+00 3.56 -3.411564443e+00 -3.411564443e+00 3.58 -3.301948697e+00 -3.301948697e+00 3.60 -3.195156913e+00 -3.195156913e+00 3.62 -3.091386495e+00 -3.091386495e+00 3.64 -2.990880210e+00 -2.990880210e+00 3.66 -2.893770588e+00 -2.893770588e+00 3.68 -2.800090820e+00 -2.800090820e+00 3.70 -2.709797452e+00 -2.709797452e+00 3.72 -2.622791146e+00 -2.622791146e+00 3.74 -2.538935005e+00 -2.538935005e+00 3.76 -2.458070179e+00 -2.458070179e+00 3.78 -2.380028723e+00 -2.380028723e+00 3.80 -2.304643694e+00 -2.304643694e+00 3.82 -2.231756570e+00 -2.231756570e+00 3.84 -2.161222043e+00 -2.161222043e+00 3.86 -2.092910345e+00 -2.092910345e+00 3.88 -2.026707379e+00 -2.026707379e+00 3.90 -1.962513124e+00 -1.962513124e+00 3.92 -1.900237195e+00 -1.900237195e+00 3.94 -1.839803302e+00 -1.839803302e+00 3.96 -1.781134951e+00 -1.781134951e+00 3.98 -1.724162115e+00 -1.724162115e+00 4.00 -1.668818586e+00 -1.668818586e+00 4.02 -1.615042643e+00 -1.615042643e+00 4.04 -1.562778500e+00 -1.562778500e+00 4.06 -1.511978092e+00 -1.511978092e+00 4.08 -1.462602739e+00 -1.462602739e+00 4.10 -1.414621058e+00 -1.414621058e+00 4.12 -1.368022638e+00 -1.368022638e+00 4.14 -1.322795927e+00 -1.322795927e+00 4.16 -1.278941422e+00 -1.278941422e+00 4.18 -1.236464735e+00 -1.236464735e+00 4.20 -1.195372981e+00 -1.195372981e+00 4.22 -1.155670857e+00 -1.155670857e+00 4.24 -1.117356851e+00 -1.117356851e+00 4.26 -1.080420050e+00 -1.080420050e+00 4.28 -1.044837890e+00 -1.044837890e+00 4.30 -1.010575054e+00 -1.010575054e+00 4.32 -9.775835216e-01 -9.775835216e-01 4.34 -9.458036176e-01 -9.458036176e-01 4.36 -9.151657798e-01 -9.151657798e-01 4.38 -8.855927386e-01 -8.855927386e-01 4.40 -8.570018047e-01 -8.570018047e-01 4.42 -8.293070324e-01 -8.293070324e-01 4.44 -8.024211088e-01 -8.024211088e-01 4.46 -7.762569072e-01 -7.762569072e-01 4.48 -7.507287088e-01 -7.507287088e-01 4.50 -7.257531542e-01 -7.257531542e-01 4.52 -7.012500093e-01 -7.012500093e-01 4.54 -6.771428480e-01 -6.771428480e-01 4.56 -6.533597494e-01 -6.533597494e-01 4.58 -6.298340967e-01 -6.298340967e-01 4.60 -6.065055461e-01 -6.065055461e-01 4.62 -5.833212076e-01 -5.833212076e-01 4.64 -5.602370461e-01 -5.602370461e-01 4.66 -5.372194765e-01 -5.372194765e-01 4.68 -5.142470772e-01 -5.142470772e-01 4.70 -4.913123041e-01 -4.913123041e-01 4.72 -4.684230373e-01 -4.684230373e-01 4.74 -4.456037594e-01 -4.456037594e-01 4.76 -4.228961389e-01 -4.228961389e-01 4.78 -4.003588040e-01 -4.003588040e-01 4.80 -3.780630783e-01 -3.780630783e-01 4.82 -3.561034083e-01 -3.561034083e-01 4.84 -3.345740682e-01 -3.345740682e-01 4.86 -3.135788286e-01 -3.135788286e-01 4.88 -2.932223875e-01 -2.932223875e-01 4.90 -2.736052312e-01 -2.736052312e-01 4.92 -2.548186956e-01 -2.548186956e-01 4.94 -2.369406576e-01 -2.369406576e-01 4.96 -2.200322154e-01 -2.200322154e-01 4.98 -2.041355880e-01 -2.041355880e-01 5.00 -1.892733153e-01 -1.892733153e-01 5.02 -1.754486933e-01 -1.754486933e-01 5.04 -1.626472551e-01 -1.626472551e-01 5.06 -1.508390360e-01 -1.508390360e-01 5.08 -1.399813258e-01 -1.399813258e-01 5.10 -1.300216275e-01 -1.300216275e-01 5.12 -1.209005822e-01 -1.209005822e-01 5.14 -1.125546793e-01 -1.125546793e-01 5.16 -1.049186357e-01 -1.049186357e-01 5.18 -9.792738553e-02 -9.792738553e-02 5.20 -9.151766521e-02 -9.151766521e-02 5.22 -8.562922200e-02 -8.562922200e-02 5.24 -8.020568385e-02 -8.020568385e-02 5.26 -7.519508197e-02 -7.519508197e-02 5.28 -7.055013347e-02 -7.055013347e-02 5.30 -6.622892773e-02 -6.622892773e-02 5.32 -6.219452607e-02 -6.219452607e-02 5.34 -5.841487572e-02 -5.841487572e-02 5.36 -5.486267691e-02 -5.486267691e-02 5.38 -5.151516009e-02 -5.151516009e-02 5.40 -4.835378335e-02 -4.835378335e-02 5.42 -4.536385537e-02 -4.536385537e-02 5.44 -4.253408881e-02 -4.253408881e-02 5.46 -3.985609207e-02 -3.985609207e-02 5.48 -3.732381348e-02 -3.732381348e-02 5.50 -3.493295879e-02 -3.493295879e-02 5.52 -3.268040903e-02 -3.268040903e-02 5.54 -3.056367110e-02 -3.056367110e-02 5.56 -2.858039058e-02 -2.858039058e-02 5.58 -2.672795326e-02 -2.672795326e-02 5.60 -2.500318693e-02 -2.500318693e-02 5.62 -2.340203978e-02 -2.340203978e-02 5.64 -2.191984320e-02 -2.191984320e-02 5.66 -2.055121255e-02 -2.055121255e-02 5.68 -1.929003922e-02 -1.929003922e-02 5.70 -1.812964672e-02 -1.812964672e-02 5.72 -1.706297146e-02 -1.706297146e-02 5.74 -1.608274759e-02 -1.608274759e-02 5.76 -1.518168025e-02 -1.518168025e-02 5.78 -1.435259648e-02 -1.435259648e-02 5.80 -1.358856813e-02 -1.358856813e-02 5.82 -1.288300508e-02 -1.288300508e-02 5.84 -1.222971990e-02 -1.222971990e-02 5.86 -1.162296728e-02 -1.162296728e-02 5.88 -1.105746233e-02 -1.105746233e-02 5.90 -1.052838233e-02 -1.052838233e-02 5.92 -1.003135627e-02 -1.003135627e-02 5.94 -9.562446241e-03 -9.562446241e-03 5.96 -9.118123895e-03 -9.118123895e-03 5.98 -8.695244735e-03 -8.695244735e-03 6.00 -8.291022365e-03 -8.291022365e-03