# 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 = AlCu2Ni # 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 9.002961644e+01 9.002961644e+01 1.30 8.283584863e+01 8.283584863e+01 1.32 7.619467065e+01 7.619467065e+01 1.34 7.005891310e+01 7.005891310e+01 1.36 6.438732919e+01 6.438732919e+01 1.38 5.914497593e+01 5.914497593e+01 1.40 5.430143582e+01 5.430143582e+01 1.42 4.982851732e+01 4.982851732e+01 1.44 4.569841627e+01 4.569841627e+01 1.46 4.188288752e+01 4.188288752e+01 1.48 3.835385915e+01 3.835385915e+01 1.50 3.508512426e+01 3.508512426e+01 1.52 3.205388383e+01 3.205388383e+01 1.54 2.924109049e+01 2.924109049e+01 1.56 2.663059793e+01 2.663059793e+01 1.58 2.420830186e+01 2.420830186e+01 1.60 2.196270485e+01 2.196270485e+01 1.62 1.988170661e+01 1.988170661e+01 1.64 1.795413434e+01 1.795413434e+01 1.66 1.616980838e+01 1.616980838e+01 1.68 1.451921937e+01 1.451921937e+01 1.70 1.299330594e+01 1.299330594e+01 1.72 1.158336609e+01 1.158336609e+01 1.74 1.028101186e+01 1.028101186e+01 1.76 9.078158865e+00 9.078158865e+00 1.78 7.967111153e+00 7.967111153e+00 1.80 6.940745079e+00 6.940745079e+00 1.82 5.992698180e+00 5.992698180e+00 1.84 5.117432071e+00 5.117432071e+00 1.86 4.310106143e+00 4.310106143e+00 1.88 3.566316104e+00 3.566316104e+00 1.90 2.881818175e+00 2.881818175e+00 1.92 2.252346213e+00 2.252346213e+00 1.94 1.673576975e+00 1.673576975e+00 1.96 1.141238672e+00 1.141238672e+00 1.98 6.513026979e-01 6.513026979e-01 2.00 2.001703789e-01 2.001703789e-01 2.02 -2.152176773e-01 -2.152176773e-01 2.04 -5.973789032e-01 -5.973789032e-01 2.06 -9.483786397e-01 -9.483786397e-01 2.08 -1.269969422e+00 -1.269969422e+00 2.10 -1.563729427e+00 -1.563729427e+00 2.12 -1.831165381e+00 -1.831165381e+00 2.14 -2.073770566e+00 -2.073770566e+00 2.16 -2.293047065e+00 -2.293047065e+00 2.18 -2.490506826e+00 -2.490506826e+00 2.20 -2.667662744e+00 -2.667662744e+00 2.22 -2.826016067e+00 -2.826016067e+00 2.24 -2.967043873e+00 -2.967043873e+00 2.26 -3.092190131e+00 -3.092190131e+00 2.28 -3.202862500e+00 -3.202862500e+00 2.30 -3.300431353e+00 -3.300431353e+00 2.32 -3.386220594e+00 -3.386220594e+00 2.34 -3.461478738e+00 -3.461478738e+00 2.36 -3.527330345e+00 -3.527330345e+00 2.38 -3.584723451e+00 -3.584723451e+00 2.40 -3.634397190e+00 -3.634397190e+00 2.42 -3.676892018e+00 -3.676892018e+00 2.44 -3.712592830e+00 -3.712592830e+00 2.46 -3.741791065e+00 -3.741791065e+00 2.48 -3.764745452e+00 -3.764745452e+00 2.50 -3.781730699e+00 -3.781730699e+00 2.52 -3.793719350e+00 -3.793719350e+00 2.54 -3.801485732e+00 -3.801485732e+00 2.56 -3.804623647e+00 -3.804623647e+00 2.58 -3.802856961e+00 -3.802856961e+00 2.60 -3.796092971e+00 -3.796092971e+00 2.62 -3.784388210e+00 -3.784388210e+00 2.64 -3.767915014e+00 -3.767915014e+00 2.66 -3.746929796e+00 -3.746929796e+00 2.68 -3.721756132e+00 -3.721756132e+00 2.70 -3.692812541e+00 -3.692812541e+00 2.72 -3.660542648e+00 -3.660542648e+00 2.74 -3.625372413e+00 -3.625372413e+00 2.76 -3.587695185e+00 -3.587695185e+00 2.78 -3.547855125e+00 -3.547855125e+00 2.80 -3.506132864e+00 -3.506132864e+00 2.82 -3.462738274e+00 -3.462738274e+00 2.84 -3.417813191e+00 -3.417813191e+00 2.86 -3.371443310e+00 -3.371443310e+00 2.88 -3.323675864e+00 -3.323675864e+00 2.90 -3.274539013e+00 -3.274539013e+00 2.92 -3.224059752e+00 -3.224059752e+00 2.94 -3.172278695e+00 -3.172278695e+00 2.96 -3.119261334e+00 -3.119261334e+00 2.98 -3.065105917e+00 -3.065105917e+00 3.00 -3.009947927e+00 -3.009947927e+00 3.02 -2.953960719e+00 -2.953960719e+00 3.04 -2.897351559e+00 -2.897351559e+00 3.06 -2.840352627e+00 -2.840352627e+00 3.08 -2.783207358e+00 -2.783207358e+00 3.10 -2.726154039e+00 -2.726154039e+00 3.12 -2.669409369e+00 -2.669409369e+00 3.14 -2.613155094e+00 -2.613155094e+00 3.16 -2.557529796e+00 -2.557529796e+00 3.18 -2.502626709e+00 -2.502626709e+00 3.20 -2.448496741e+00 -2.448496741e+00 3.22 -2.395155118e+00 -2.395155118e+00 3.24 -2.342589831e+00 -2.342589831e+00 3.26 -2.290770349e+00 -2.290770349e+00 3.28 -2.239655596e+00 -2.239655596e+00 3.30 -2.189200668e+00 -2.189200668e+00 3.32 -2.139362103e+00 -2.139362103e+00 3.34 -2.090101705e+00 -2.090101705e+00 3.36 -2.041388995e+00 -2.041388995e+00 3.38 -1.993202432e+00 -1.993202432e+00 3.40 -1.945529544e+00 -1.945529544e+00 3.42 -1.898366191e+00 -1.898366191e+00 3.44 -1.851715144e+00 -1.851715144e+00 3.46 -1.805584276e+00 -1.805584276e+00 3.48 -1.759984578e+00 -1.759984578e+00 3.50 -1.714928231e+00 -1.714928231e+00 3.52 -1.670426908e+00 -1.670426908e+00 3.54 -1.626490427e+00 -1.626490427e+00 3.56 -1.583125827e+00 -1.583125827e+00 3.58 -1.540336900e+00 -1.540336900e+00 3.60 -1.498124169e+00 -1.498124169e+00 3.62 -1.456485312e+00 -1.456485312e+00 3.64 -1.415416001e+00 -1.415416001e+00 3.66 -1.374911144e+00 -1.374911144e+00 3.68 -1.334966480e+00 -1.334966480e+00 3.70 -1.295580483e+00 -1.295580483e+00 3.72 -1.256756420e+00 -1.256756420e+00 3.74 -1.218504405e+00 -1.218504405e+00 3.76 -1.180843169e+00 -1.180843169e+00 3.78 -1.143801214e+00 -1.143801214e+00 3.80 -1.107417021e+00 -1.107417021e+00 3.82 -1.071738021e+00 -1.071738021e+00 3.84 -1.036818183e+00 -1.036818183e+00 3.86 -1.002714305e+00 -1.002714305e+00 3.88 -9.694813335e-01 -9.694813335e-01 3.90 -9.371672767e-01 -9.371672767e-01 3.92 -9.058083884e-01 -9.058083884e-01 3.94 -8.754253154e-01 -8.754253154e-01 3.96 -8.460206541e-01 -8.460206541e-01 3.98 -8.175782211e-01 -8.175782211e-01 4.00 -7.900639272e-01 -7.900639272e-01 4.02 -7.634279830e-01 -7.634279830e-01 4.04 -7.376080012e-01 -7.376080012e-01 4.06 -7.125325452e-01 -7.125325452e-01 4.08 -6.881247406e-01 -6.881247406e-01 4.10 -6.643056761e-01 -6.643056761e-01 4.12 -6.409975074e-01 -6.409975074e-01 4.14 -6.181260914e-01 -6.181260914e-01 4.16 -5.956233663e-01 -5.956233663e-01 4.18 -5.734293891e-01 -5.734293891e-01 4.20 -5.514941336e-01 -5.514941336e-01 4.22 -5.297790586e-01 -5.297790586e-01 4.24 -5.082584221e-01 -5.082584221e-01 4.26 -4.869202838e-01 -4.869202838e-01 4.28 -4.657671149e-01 -4.657671149e-01 4.30 -4.448159250e-01 -4.448159250e-01 4.32 -4.240978320e-01 -4.240978320e-01 4.34 -4.036570235e-01 -4.036570235e-01 4.36 -3.835490956e-01 -3.835490956e-01 4.38 -3.638387889e-01 -3.638387889e-01 4.40 -3.445971792e-01 -3.445971792e-01 4.42 -3.258984173e-01 -3.258984173e-01 4.44 -3.078161524e-01 -3.078161524e-01 4.46 -2.904198215e-01 -2.904198215e-01 4.48 -2.737710321e-01 -2.737710321e-01 4.50 -2.579202972e-01 -2.579202972e-01 4.52 -2.429043845e-01 -2.429043845e-01 4.54 -2.287445052e-01 -2.287445052e-01 4.56 -2.154454860e-01 -2.154454860e-01 4.58 -2.029959726e-01 -2.029959726e-01 4.60 -1.913695849e-01 -1.913695849e-01 4.62 -1.805268486e-01 -1.805268486e-01 4.64 -1.704176758e-01 -1.704176758e-01 4.66 -1.609841476e-01 -1.609841476e-01 4.68 -1.521633648e-01 -1.521633648e-01 4.70 -1.438901479e-01 -1.438901479e-01 4.72 -1.360992344e-01 -1.360992344e-01 4.74 -1.287278747e-01 -1.287278747e-01 4.76 -1.217174116e-01 -1.217174116e-01 4.78 -1.150143166e-01 -1.150143166e-01 4.80 -1.085717620e-01 -1.085717620e-01 4.82 -1.023499599e-01 -1.023499599e-01 4.84 -9.631664248e-02 -9.631664248e-02 4.86 -9.044736934e-02 -9.044736934e-02 4.88 -8.472553566e-02 -8.472553566e-02 4.90 -7.914212410e-02 -7.914212410e-02 4.92 -7.369519225e-02 -7.369519225e-02 4.94 -6.838909845e-02 -6.838909845e-02 4.96 -6.323348203e-02 -6.323348203e-02 4.98 -5.824203443e-02 -5.824203443e-02 5.00 -5.343112093e-02 -5.343112093e-02 5.02 -4.881833373e-02 -4.881833373e-02 5.04 -4.442107112e-02 -4.442107112e-02 5.06 -4.025523925e-02 -4.025523925e-02 5.08 -3.633416311e-02 -3.633416311e-02 5.10 -3.266777095e-02 -3.266777095e-02 5.12 -2.926208652e-02 -2.926208652e-02 5.14 -2.611903141e-02 -2.611903141e-02 5.16 -2.323651057e-02 -2.323651057e-02 5.18 -2.060873000e-02 -2.060873000e-02 5.20 -1.822668519e-02 -1.822668519e-02 5.22 -1.607875553e-02 -1.607875553e-02 5.24 -1.415134034e-02 -1.415134034e-02 5.26 -1.242947030e-02 -1.242947030e-02 5.28 -1.089713525e-02 -1.089713525e-02 5.30 -9.538444545e-03 -9.538444545e-03 5.32 -8.337736427e-03 -8.337736427e-03 5.34 -7.279749753e-03 -7.279749753e-03 5.36 -6.349902052e-03 -6.349902052e-03 5.38 -5.534480870e-03 -5.534480870e-03 5.40 -4.820762007e-03 -4.820762007e-03 5.42 -4.197068750e-03 -4.197068750e-03 5.44 -3.652785357e-03 -3.652785357e-03 5.46 -3.178336626e-03 -3.178336626e-03 5.48 -2.765143551e-03 -2.765143551e-03 5.50 -2.405563249e-03 -2.405563249e-03 5.52 -2.092819605e-03 -2.092819605e-03 5.54 -1.820929533e-03 -1.820929533e-03 5.56 -1.584628481e-03 -1.584628481e-03 5.58 -1.379297718e-03 -1.379297718e-03 5.60 -1.200895123e-03 -1.200895123e-03 5.62 -1.045890531e-03 -1.045890531e-03 5.64 -9.112062242e-04 -9.112062242e-04 5.66 -7.941627760e-04 -7.941627760e-04 5.68 -6.924302428e-04 -6.924302428e-04 5.70 -6.039844952e-04 -6.039844952e-04 5.72 -5.270683988e-04 -5.270683988e-04 5.74 -4.601574806e-04 -4.601574806e-04 5.76 -4.019296935e-04 -4.019296935e-04 5.78 -3.512388851e-04 -3.512388851e-04 5.80 -3.070915849e-04 -3.070915849e-04 5.82 -2.686267451e-04 -2.686267451e-04 5.84 -2.350980962e-04 -2.350980962e-04 5.86 -2.058588038e-04 -2.058588038e-04 5.88 -1.803481468e-04 -1.803481468e-04 5.90 -1.580799630e-04 -1.580799630e-04 5.92 -1.386326356e-04 -1.386326356e-04 5.94 -1.216404231e-04 -1.216404231e-04 5.96 -1.067859549e-04 -1.067859549e-04 5.98 -9.379373926e-05 -9.379373926e-05 6.00 -8.242454809e-05 -8.242454809e-05