# 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 = Ni2PtTa # 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 2.470973258e+02 2.470973258e+02 1.30 2.291676867e+02 2.291676867e+02 1.32 2.124794020e+02 2.124794020e+02 1.34 1.969402780e+02 1.969402780e+02 1.36 1.824702516e+02 1.824702516e+02 1.38 1.689923022e+02 1.689923022e+02 1.40 1.564295664e+02 1.564295664e+02 1.42 1.447085568e+02 1.447085568e+02 1.44 1.337641089e+02 1.337641089e+02 1.46 1.235428679e+02 1.235428679e+02 1.48 1.140036057e+02 1.140036057e+02 1.50 1.051135106e+02 1.051135106e+02 1.52 9.684163537e+01 9.684163537e+01 1.54 8.915297688e+01 8.915297688e+01 1.56 8.200643682e+01 8.200643682e+01 1.58 7.535684783e+01 7.535684783e+01 1.60 6.915867552e+01 6.915867552e+01 1.62 6.336918756e+01 6.336918756e+01 1.64 5.795036615e+01 5.795036615e+01 1.66 5.286974407e+01 5.286974407e+01 1.68 4.810047951e+01 4.810047951e+01 1.70 4.362085803e+01 4.362085803e+01 1.72 3.941330123e+01 3.941330123e+01 1.74 3.546400211e+01 3.546400211e+01 1.76 3.176349635e+01 3.176349635e+01 1.78 2.830045178e+01 2.830045178e+01 1.80 2.510698884e+01 2.510698884e+01 1.82 2.218418677e+01 2.218418677e+01 1.84 1.951148852e+01 1.951148852e+01 1.86 1.706993435e+01 1.706993435e+01 1.88 1.484202568e+01 1.484202568e+01 1.90 1.281139824e+01 1.281139824e+01 1.92 1.096243918e+01 1.096243918e+01 1.94 9.280027839e+00 9.280027839e+00 1.96 7.749508938e+00 7.749508938e+00 1.98 6.356876797e+00 6.356876797e+00 2.00 5.089053839e+00 5.089053839e+00 2.02 3.934139774e+00 3.934139774e+00 2.04 2.881560773e+00 2.881560773e+00 2.06 1.922100531e+00 1.922100531e+00 2.08 1.047821706e+00 1.047821706e+00 2.10 2.519009109e-01 2.519009109e-01 2.12 -4.715847189e-01 -4.715847189e-01 2.14 -1.127872675e+00 -1.127872675e+00 2.16 -1.721692932e+00 -1.721692932e+00 2.18 -2.257392063e+00 -2.257392063e+00 2.20 -2.739010221e+00 -2.739010221e+00 2.22 -3.170328158e+00 -3.170328158e+00 2.24 -3.554899721e+00 -3.554899721e+00 2.26 -3.896080042e+00 -3.896080042e+00 2.28 -4.197056976e+00 -4.197056976e+00 2.30 -4.460890491e+00 -4.460890491e+00 2.32 -4.690556780e+00 -4.690556780e+00 2.34 -4.888982708e+00 -4.888982708e+00 2.36 -5.059051728e+00 -5.059051728e+00 2.38 -5.203571798e+00 -5.203571798e+00 2.40 -5.325099974e+00 -5.325099974e+00 2.42 -5.426144429e+00 -5.426144429e+00 2.44 -5.509141095e+00 -5.509141095e+00 2.46 -5.576206441e+00 -5.576206441e+00 2.48 -5.629166378e+00 -5.629166378e+00 2.50 -5.669611790e+00 -5.669611790e+00 2.52 -5.699891857e+00 -5.699891857e+00 2.54 -5.721406428e+00 -5.721406428e+00 2.56 -5.734608226e+00 -5.734608226e+00 2.58 -5.739989436e+00 -5.739989436e+00 2.60 -5.738027678e+00 -5.738027678e+00 2.62 -5.729152154e+00 -5.729152154e+00 2.64 -5.713735229e+00 -5.713735229e+00 2.66 -5.692103927e+00 -5.692103927e+00 2.68 -5.664561304e+00 -5.664561304e+00 2.70 -5.631408128e+00 -5.631408128e+00 2.72 -5.592954411e+00 -5.592954411e+00 2.74 -5.549521621e+00 -5.549521621e+00 2.76 -5.501438366e+00 -5.501438366e+00 2.78 -5.449025548e+00 -5.449025548e+00 2.80 -5.392581168e+00 -5.392581168e+00 2.82 -5.332370479e+00 -5.332370479e+00 2.84 -5.268625189e+00 -5.268625189e+00 2.86 -5.201552166e+00 -5.201552166e+00 2.88 -5.131328088e+00 -5.131328088e+00 2.90 -5.058008582e+00 -5.058008582e+00 2.92 -4.981657732e+00 -4.981657732e+00 2.94 -4.902417076e+00 -4.902417076e+00 2.96 -4.820500828e+00 -4.820500828e+00 2.98 -4.736181484e+00 -4.736181484e+00 3.00 -4.649766879e+00 -4.649766879e+00 3.02 -4.561572247e+00 -4.561572247e+00 3.04 -4.471892849e+00 -4.471892849e+00 3.06 -4.380982860e+00 -4.380982860e+00 3.08 -4.289044263e+00 -4.289044263e+00 3.10 -4.196226690e+00 -4.196226690e+00 3.12 -4.102636303e+00 -4.102636303e+00 3.14 -4.008350422e+00 -4.008350422e+00 3.16 -3.913434348e+00 -3.913434348e+00 3.18 -3.817957617e+00 -3.817957617e+00 3.20 -3.722007804e+00 -3.722007804e+00 3.22 -3.625727646e+00 -3.625727646e+00 3.24 -3.529482209e+00 -3.529482209e+00 3.26 -3.433716047e+00 -3.433716047e+00 3.28 -3.338850841e+00 -3.338850841e+00 3.30 -3.245276487e+00 -3.245276487e+00 3.32 -3.153338998e+00 -3.153338998e+00 3.34 -3.063327499e+00 -3.063327499e+00 3.36 -2.975462967e+00 -2.975462967e+00 3.38 -2.889890817e+00 -2.889890817e+00 3.40 -2.806678549e+00 -2.806678549e+00 3.42 -2.725818739e+00 -2.725818739e+00 3.44 -2.647236715e+00 -2.647236715e+00 3.46 -2.570801725e+00 -2.570801725e+00 3.48 -2.496340119e+00 -2.496340119e+00 3.50 -2.423649165e+00 -2.423649165e+00 3.52 -2.352510383e+00 -2.352510383e+00 3.54 -2.282701656e+00 -2.282701656e+00 3.56 -2.214007704e+00 -2.214007704e+00 3.58 -2.146228785e+00 -2.146228785e+00 3.60 -2.079187677e+00 -2.079187677e+00 3.62 -2.012735077e+00 -2.012735077e+00 3.64 -1.946753657e+00 -1.946753657e+00 3.66 -1.881160953e+00 -1.881160953e+00 3.68 -1.815911288e+00 -1.815911288e+00 3.70 -1.750996823e+00 -1.750996823e+00 3.72 -1.686447756e+00 -1.686447756e+00 3.74 -1.622331573e+00 -1.622331573e+00 3.76 -1.558751190e+00 -1.558751190e+00 3.78 -1.495841754e+00 -1.495841754e+00 3.80 -1.433765888e+00 -1.433765888e+00 3.82 -1.372707266e+00 -1.372707266e+00 3.84 -1.312862530e+00 -1.312862530e+00 3.86 -1.254431837e+00 -1.254431837e+00 3.88 -1.197608543e+00 -1.197608543e+00 3.90 -1.142568828e+00 -1.142568828e+00 3.92 -1.089462185e+00 -1.089462185e+00 3.94 -1.038403759e+00 -1.038403759e+00 3.96 -9.894693213e-01 -9.894693213e-01 3.98 -9.426933894e-01 -9.426933894e-01 4.00 -8.980705583e-01 -8.980705583e-01 4.02 -8.555597114e-01 -8.555597114e-01 4.04 -8.150904510e-01 -8.150904510e-01 4.06 -7.765708973e-01 -7.765708973e-01 4.08 -7.398959594e-01 -7.398959594e-01 4.10 -7.049552496e-01 -7.049552496e-01 4.12 -6.716399797e-01 -6.716399797e-01 4.14 -6.398482931e-01 -6.398482931e-01 4.16 -6.094888097e-01 -6.094888097e-01 4.18 -5.804822467e-01 -5.804822467e-01 4.20 -5.527612654e-01 -5.527612654e-01 4.22 -5.262688626e-01 -5.262688626e-01 4.24 -5.009557856e-01 -5.009557856e-01 4.26 -4.767775400e-01 -4.767775400e-01 4.28 -4.536915543e-01 -4.536915543e-01 4.30 -4.316549713e-01 -4.316549713e-01 4.32 -4.106233577e-01 -4.106233577e-01 4.34 -3.905504142e-01 -3.905504142e-01 4.36 -3.713885597e-01 -3.713885597e-01 4.38 -3.530901103e-01 -3.530901103e-01 4.40 -3.356086902e-01 -3.356086902e-01 4.42 -3.189005120e-01 -3.189005120e-01 4.44 -3.029252312e-01 -3.029252312e-01 4.46 -2.876461968e-01 -2.876461968e-01 4.48 -2.730300639e-01 -2.730300639e-01 4.50 -2.590458645e-01 -2.590458645e-01 4.52 -2.456637445e-01 -2.456637445e-01 4.54 -2.328536304e-01 -2.328536304e-01 4.56 -2.205840953e-01 -2.205840953e-01 4.58 -2.088216468e-01 -2.088216468e-01 4.60 -1.975305755e-01 -1.975305755e-01 4.62 -1.866734039e-01 -1.866734039e-01 4.64 -1.762118710e-01 -1.762118710e-01 4.66 -1.661083631e-01 -1.661083631e-01 4.68 -1.563275915e-01 -1.563275915e-01 4.70 -1.468383078e-01 -1.468383078e-01 4.72 -1.376149311e-01 -1.376149311e-01 4.74 -1.286395926e-01 -1.286395926e-01 4.76 -1.199009940e-01 -1.199009940e-01 4.78 -1.113962415e-01 -1.113962415e-01 4.80 -1.031309686e-01 -1.031309686e-01 4.82 -9.511824097e-02 -9.511824097e-02 4.84 -8.737722033e-02 -8.737722033e-02 4.86 -7.993140583e-02 -7.993140583e-02 4.88 -7.280658377e-02 -7.280658377e-02 4.90 -6.602866493e-02 -6.602866493e-02 4.92 -5.962159897e-02 -5.962159897e-02 4.94 -5.360554557e-02 -5.360554557e-02 4.96 -4.799544666e-02 -4.799544666e-02 4.98 -4.280009090e-02 -4.280009090e-02 5.00 -3.802169941e-02 -3.802169941e-02 5.02 -3.365600322e-02 -3.365600322e-02 5.04 -2.969273536e-02 -2.969273536e-02 5.06 -2.611643174e-02 -2.611643174e-02 5.08 -2.290742319e-02 -2.290742319e-02 5.10 -2.004290563e-02 -2.004290563e-02 5.12 -1.749800060e-02 -1.749800060e-02 5.14 -1.524672956e-02 -1.524672956e-02 5.16 -1.326280308e-02 -1.326280308e-02 5.18 -1.152004426e-02 -1.152004426e-02 5.20 -9.993862176e-03 -9.993862176e-03 5.22 -8.661012090e-03 -8.661012090e-03 5.24 -7.499742097e-03 -7.499742097e-03 5.26 -6.489986617e-03 -6.489986617e-03 5.28 -5.613453095e-03 -5.613453095e-03 5.30 -4.853628376e-03 -4.853628376e-03 5.32 -4.195727562e-03 -4.195727562e-03 5.34 -3.626604028e-03 -3.626604028e-03 5.36 -3.134635407e-03 -3.134635407e-03 5.38 -2.709596794e-03 -2.709596794e-03 5.40 -2.342529498e-03 -2.342529498e-03 5.42 -2.025611182e-03 -2.025611182e-03 5.44 -1.752031365e-03 -1.752031365e-03 5.46 -1.515874757e-03 -1.515874757e-03 5.48 -1.312013806e-03 -1.312013806e-03 5.50 -1.136011082e-03 -1.136011082e-03 5.52 -9.840315121e-04 -9.840315121e-04 5.54 -8.527641767e-04 -8.527641767e-04 5.56 -7.393530953e-04 -7.393530953e-04 5.58 -6.413363238e-04 -6.413363238e-04 5.60 -5.565926188e-04 -5.565926188e-04 5.62 -4.832949080e-04 -4.832949080e-04 5.64 -4.198698293e-04 -4.198698293e-04 5.66 -3.649626396e-04 -3.649626396e-04 5.68 -3.174068476e-04 -3.174068476e-04 5.70 -2.761979806e-04 -2.761979806e-04 5.72 -2.404709563e-04 -2.404709563e-04 5.74 -2.094805862e-04 -2.094805862e-04 5.76 -1.825847933e-04 -1.825847933e-04 5.78 -1.592301759e-04 -1.592301759e-04 5.80 -1.389395975e-04 -1.389395975e-04 5.82 -1.213015211e-04 -1.213015211e-04 5.84 -1.059608463e-04 -1.059608463e-04 5.86 -9.261103762e-05 -9.261103762e-05 5.88 -8.098736312e-05 -8.098736312e-05 5.90 -7.086108624e-05 -7.086108624e-05 5.92 -6.203447581e-05 -6.203447581e-05 5.94 -5.433651827e-05 -5.433651827e-05 5.96 -4.761923257e-05 -4.761923257e-05 5.98 -4.175450210e-05 -4.175450210e-05 6.00 -3.663135022e-05 -3.663135022e-05