# 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 = Cu2PtW # 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 2.519884388e+02 2.519884388e+02 1.30 2.330324116e+02 2.330324116e+02 1.32 2.154175519e+02 2.154175519e+02 1.34 1.990773986e+02 1.990773986e+02 1.36 1.839500899e+02 1.839500899e+02 1.38 1.699642821e+02 1.699642821e+02 1.40 1.570341989e+02 1.570341989e+02 1.42 1.450647858e+02 1.450647858e+02 1.44 1.339618161e+02 1.339618161e+02 1.46 1.236410751e+02 1.236410751e+02 1.48 1.140328353e+02 1.140328353e+02 1.50 1.050807382e+02 1.050807382e+02 1.52 9.673710305e+01 9.673710305e+01 1.54 8.895811502e+01 8.895811502e+01 1.56 8.170131920e+01 8.170131920e+01 1.58 7.492549886e+01 7.492549886e+01 1.60 6.859167087e+01 6.859167087e+01 1.62 6.266418458e+01 6.266418458e+01 1.64 5.711161685e+01 5.711161685e+01 1.66 5.190745855e+01 5.190745855e+01 1.68 4.703046880e+01 4.703046880e+01 1.70 4.246473689e+01 4.246473689e+01 1.72 3.819830860e+01 3.819830860e+01 1.74 3.422071044e+01 3.422071044e+01 1.76 3.056217855e+01 3.056217855e+01 1.78 2.723905401e+01 2.723905401e+01 1.80 2.422274261e+01 2.422274261e+01 1.82 2.148362028e+01 2.148362028e+01 1.84 1.899288270e+01 1.899288270e+01 1.86 1.672392108e+01 1.672392108e+01 1.88 1.465311507e+01 1.465311507e+01 1.90 1.276001046e+01 1.276001046e+01 1.92 1.102712430e+01 1.102712430e+01 1.94 9.439609551e+00 9.439609551e+00 1.96 7.984897771e+00 7.984897771e+00 1.98 6.652336280e+00 6.652336280e+00 2.00 5.432798219e+00 5.432798219e+00 2.02 4.318270165e+00 4.318270165e+00 2.04 3.301464713e+00 3.301464713e+00 2.06 2.375515880e+00 2.375515880e+00 2.08 1.533788127e+00 1.533788127e+00 2.10 7.697958815e-01 7.697958815e-01 2.12 7.721181052e-02 7.721181052e-02 2.14 -5.500624588e-01 -5.500624588e-01 2.16 -1.117791548e+00 -1.117791548e+00 2.18 -1.631299306e+00 -1.631299306e+00 2.20 -2.095390068e+00 -2.095390068e+00 2.22 -2.514317608e+00 -2.514317608e+00 2.24 -2.891805387e+00 -2.891805387e+00 2.26 -3.231109674e+00 -3.231109674e+00 2.28 -3.535027649e+00 -3.535027649e+00 2.30 -3.806181176e+00 -3.806181176e+00 2.32 -4.047117229e+00 -4.047117229e+00 2.34 -4.260219353e+00 -4.260219353e+00 2.36 -4.447734301e+00 -4.447734301e+00 2.38 -4.611770116e+00 -4.611770116e+00 2.40 -4.754286726e+00 -4.754286726e+00 2.42 -4.877033662e+00 -4.877033662e+00 2.44 -4.981385445e+00 -4.981385445e+00 2.46 -5.069002512e+00 -5.069002512e+00 2.48 -5.142366866e+00 -5.142366866e+00 2.50 -5.202441513e+00 -5.202441513e+00 2.52 -5.250108105e+00 -5.250108105e+00 2.54 -5.286279168e+00 -5.286279168e+00 2.56 -5.311848566e+00 -5.311848566e+00 2.58 -5.327642366e+00 -5.327642366e+00 2.60 -5.334381597e+00 -5.334381597e+00 2.62 -5.332667034e+00 -5.332667034e+00 2.64 -5.322988569e+00 -5.322988569e+00 2.66 -5.305752538e+00 -5.305752538e+00 2.68 -5.281315168e+00 -5.281315168e+00 2.70 -5.250010473e+00 -5.250010473e+00 2.72 -5.212165573e+00 -5.212165573e+00 2.74 -5.168102411e+00 -5.168102411e+00 2.76 -5.118130073e+00 -5.118130073e+00 2.78 -5.062534762e+00 -5.062534762e+00 2.80 -5.001574431e+00 -5.001574431e+00 2.82 -4.935570492e+00 -4.935570492e+00 2.84 -4.865065947e+00 -4.865065947e+00 2.86 -4.790010209e+00 -4.790010209e+00 2.88 -4.710381673e+00 -4.710381673e+00 2.90 -4.626293021e+00 -4.626293021e+00 2.92 -4.538002143e+00 -4.538002143e+00 2.94 -4.445915584e+00 -4.445915584e+00 2.96 -4.350579271e+00 -4.350579271e+00 2.98 -4.252653079e+00 -4.252653079e+00 3.00 -4.152871404e+00 -4.152871404e+00 3.02 -4.052016807e+00 -4.052016807e+00 3.04 -3.950848611e+00 -3.950848611e+00 3.06 -3.850037268e+00 -3.850037268e+00 3.08 -3.750354622e+00 -3.750354622e+00 3.10 -3.652607157e+00 -3.652607157e+00 3.12 -3.557246082e+00 -3.557246082e+00 3.14 -3.464413495e+00 -3.464413495e+00 3.16 -3.374024164e+00 -3.374024164e+00 3.18 -3.285840493e+00 -3.285840493e+00 3.20 -3.199535308e+00 -3.199535308e+00 3.22 -3.114741282e+00 -3.114741282e+00 3.24 -3.031088296e+00 -3.031088296e+00 3.26 -2.948231066e+00 -2.948231066e+00 3.28 -2.865869422e+00 -2.865869422e+00 3.30 -2.783763075e+00 -2.783763075e+00 3.32 -2.701742062e+00 -2.701742062e+00 3.34 -2.619713368e+00 -2.619713368e+00 3.36 -2.537663794e+00 -2.537663794e+00 3.38 -2.455658901e+00 -2.455658901e+00 3.40 -2.373837864e+00 -2.373837864e+00 3.42 -2.292404281e+00 -2.292404281e+00 3.44 -2.211613306e+00 -2.211613306e+00 3.46 -2.131755845e+00 -2.131755845e+00 3.48 -2.053140918e+00 -2.053140918e+00 3.50 -1.976077516e+00 -1.976077516e+00 3.52 -1.900857387e+00 -1.900857387e+00 3.54 -1.827740075e+00 -1.827740075e+00 3.56 -1.756941280e+00 -1.756941280e+00 3.58 -1.688625205e+00 -1.688625205e+00 3.60 -1.622901110e+00 -1.622901110e+00 3.62 -1.559823845e+00 -1.559823845e+00 3.64 -1.499397805e+00 -1.499397805e+00 3.66 -1.441583512e+00 -1.441583512e+00 3.68 -1.386305923e+00 -1.386305923e+00 3.70 -1.333463594e+00 -1.333463594e+00 3.72 -1.282937875e+00 -1.282937875e+00 3.74 -1.234601469e+00 -1.234601469e+00 3.76 -1.188325781e+00 -1.188325781e+00 3.78 -1.143986651e+00 -1.143986651e+00 3.80 -1.101468200e+00 -1.101468200e+00 3.82 -1.060664692e+00 -1.060664692e+00 3.84 -1.021480518e+00 -1.021480518e+00 3.86 -9.838286259e-01 -9.838286259e-01 3.88 -9.476278876e-01 -9.476278876e-01 3.90 -9.128000540e-01 -9.128000540e-01 3.92 -8.792669217e-01 -8.792669217e-01 3.94 -8.469482717e-01 -8.469482717e-01 3.96 -8.157609060e-01 -8.157609060e-01 3.98 -7.856189332e-01 -7.856189332e-01 4.00 -7.564351829e-01 -7.564351829e-01 4.02 -7.281235089e-01 -7.281235089e-01 4.04 -7.006016455e-01 -7.006016455e-01 4.06 -6.737942614e-01 -6.737942614e-01 4.08 -6.476358735e-01 -6.476358735e-01 4.10 -6.220733133e-01 -6.220733133e-01 4.12 -5.970675049e-01 -5.970675049e-01 4.14 -5.725942949e-01 -5.725942949e-01 4.16 -5.486442592e-01 -5.486442592e-01 4.18 -5.252213962e-01 -5.252213962e-01 4.20 -5.023408138e-01 -5.023408138e-01 4.22 -4.800256389e-01 -4.800256389e-01 4.24 -4.583035072e-01 -4.583035072e-01 4.26 -4.372030683e-01 -4.372030683e-01 4.28 -4.167509332e-01 -4.167509332e-01 4.30 -3.969694022e-01 -3.969694022e-01 4.32 -3.778751431e-01 -3.778751431e-01 4.34 -3.594788024e-01 -3.594788024e-01 4.36 -3.417853532e-01 -3.417853532e-01 4.38 -3.247948762e-01 -3.247948762e-01 4.40 -3.085034357e-01 -3.085034357e-01 4.42 -2.929037646e-01 -2.929037646e-01 4.44 -2.779855829e-01 -2.779855829e-01 4.46 -2.637355087e-01 -2.637355087e-01 4.48 -2.501366461e-01 -2.501366461e-01 4.50 -2.371680269e-01 -2.371680269e-01 4.52 -2.248041148e-01 -2.248041148e-01 4.54 -2.130145690e-01 -2.130145690e-01 4.56 -2.017644042e-01 -2.017644042e-01 4.58 -1.910146091e-01 -1.910146091e-01 4.60 -1.807232055e-01 -1.807232055e-01 4.62 -1.708466671e-01 -1.708466671e-01 4.64 -1.613415908e-01 -1.613415908e-01 4.66 -1.521664803e-01 -1.521664803e-01 4.68 -1.432834837e-01 -1.432834837e-01 4.70 -1.346600032e-01 -1.346600032e-01 4.72 -1.262707060e-01 -1.262707060e-01 4.74 -1.180969904e-01 -1.180969904e-01 4.76 -1.101280451e-01 -1.101280451e-01 4.78 -1.023619961e-01 -1.023619961e-01 4.80 -9.480498649e-02 -9.480498649e-02 4.82 -8.747025236e-02 -8.747025236e-02 4.84 -8.037675794e-02 -8.037675794e-02 4.86 -7.354747347e-02 -7.354747347e-02 4.88 -6.700741478e-02 -6.700741478e-02 4.90 -6.078160472e-02 -6.078160472e-02 4.92 -5.489312639e-02 -5.489312639e-02 4.94 -4.936142878e-02 -4.936142878e-02 4.96 -4.420101356e-02 -4.420101356e-02 4.98 -3.942058280e-02 -3.942058280e-02 5.00 -3.502267161e-02 -3.502267161e-02 5.02 -3.100373559e-02 -3.100373559e-02 5.04 -2.735462058e-02 -2.735462058e-02 5.06 -2.406131580e-02 -2.406131580e-02 5.08 -2.110588134e-02 -2.110588134e-02 5.10 -1.846744617e-02 -1.846744617e-02 5.12 -1.612319444e-02 -1.612319444e-02 5.14 -1.404927080e-02 -1.404927080e-02 5.16 -1.222151425e-02 -1.222151425e-02 5.18 -1.061589592e-02 -1.061589592e-02 5.20 -9.209774783e-03 -9.209774783e-03 5.22 -7.981732501e-03 -7.981732501e-03 5.24 -6.911733535e-03 -6.911733535e-03 5.26 -5.981299252e-03 -5.981299252e-03 5.28 -5.173585310e-03 -5.173585310e-03 5.30 -4.473386170e-03 -4.473386170e-03 5.32 -3.867087317e-03 -3.867087317e-03 5.34 -3.342582151e-03 -3.342582151e-03 5.36 -2.889166970e-03 -2.889166970e-03 5.38 -2.497424314e-03 -2.497424314e-03 5.40 -2.159102245e-03 -2.159102245e-03 5.42 -1.866994930e-03 -1.866994930e-03 5.44 -1.614828129e-03 -1.614828129e-03 5.46 -1.397151881e-03 -1.397151881e-03 5.48 -1.209241651e-03 -1.209241651e-03 5.50 -1.047008501e-03 -1.047008501e-03 5.52 -9.069183246e-04 -9.069183246e-04 5.54 -7.859198571e-04 -7.859198571e-04 5.56 -6.813809554e-04 -6.813809554e-04 5.58 -5.910325227e-04 -5.910325227e-04 5.60 -5.129193910e-04 -5.129193910e-04 5.62 -4.453574680e-04 -4.453574680e-04 5.64 -3.868964675e-04 -3.868964675e-04 5.66 -3.362875839e-04 -3.362875839e-04 5.68 -2.924555145e-04 -2.924555145e-04 5.70 -2.544742890e-04 -2.544742890e-04 5.72 -2.215464192e-04 -2.215464192e-04 5.74 -1.929849322e-04 -1.929849322e-04 5.76 -1.681979043e-04 -1.681979043e-04 5.78 -1.466751566e-04 -1.466751566e-04 5.80 -1.279768159e-04 -1.279768159e-04 5.82 -1.117234848e-04 -1.117234848e-04 5.84 -9.758779511e-05 -9.758779511e-05 5.86 -8.528715164e-05 -8.528715164e-05 5.88 -7.457749961e-05 -7.457749961e-05 5.90 -6.524797000e-05 -6.524797000e-05 5.92 -5.711627934e-05 -5.711627934e-05 5.94 -5.002477673e-05 -5.002477673e-05 5.96 -4.383704643e-05 -4.383704643e-05 5.98 -3.843498693e-05 -3.843498693e-05 6.00 -3.371629909e-05 -3.371629909e-05