# 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 = Al2CoTa # 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 1.516616198e+02 1.516616198e+02 1.30 1.406186886e+02 1.406186886e+02 1.32 1.303875222e+02 1.303875222e+02 1.34 1.209021292e+02 1.209021292e+02 1.36 1.121019713e+02 1.121019713e+02 1.38 1.039328255e+02 1.039328255e+02 1.40 9.634647853e+01 9.634647853e+01 1.42 8.929938151e+01 8.929938151e+01 1.44 8.275088347e+01 8.275088347e+01 1.46 7.666198207e+01 7.666198207e+01 1.48 7.099534225e+01 7.099534225e+01 1.50 6.571635467e+01 6.571635467e+01 1.52 6.079412511e+01 6.079412511e+01 1.54 5.620156451e+01 5.620156451e+01 1.56 5.191474031e+01 5.191474031e+01 1.58 4.791210130e+01 4.791210130e+01 1.60 4.417391675e+01 4.417391675e+01 1.62 4.068191887e+01 4.068191887e+01 1.64 3.741904958e+01 3.741904958e+01 1.66 3.436930587e+01 3.436930587e+01 1.68 3.151959940e+01 3.151959940e+01 1.70 2.885980703e+01 2.885980703e+01 1.72 2.637693278e+01 2.637693278e+01 1.74 2.405930086e+01 2.405930086e+01 1.76 2.189648559e+01 2.189648559e+01 1.78 1.987828797e+01 1.987828797e+01 1.80 1.799712030e+01 1.799712030e+01 1.82 1.624608730e+01 1.624608730e+01 1.84 1.461685318e+01 1.461685318e+01 1.86 1.310172873e+01 1.310172873e+01 1.88 1.169357159e+01 1.169357159e+01 1.90 1.038567343e+01 1.038567343e+01 1.92 9.171659702e+00 9.171659702e+00 1.94 8.045417671e+00 8.045417671e+00 1.96 7.001060402e+00 7.001060402e+00 1.98 6.032927714e+00 6.032927714e+00 2.00 5.135620313e+00 5.135620313e+00 2.02 4.304056054e+00 4.304056054e+00 2.04 3.533525001e+00 3.533525001e+00 2.06 2.819716183e+00 2.819716183e+00 2.08 2.158705227e+00 2.158705227e+00 2.10 1.546914222e+00 1.546914222e+00 2.12 9.810636049e-01 9.810636049e-01 2.14 4.581304785e-01 4.581304785e-01 2.16 -2.468040474e-02 -2.468040474e-02 2.18 -4.699534038e-01 -4.699534038e-01 2.20 -8.800723276e-01 -8.800723276e-01 2.22 -1.257233505e+00 -1.257233505e+00 2.24 -1.603468609e+00 -1.603468609e+00 2.26 -1.920677667e+00 -1.920677667e+00 2.28 -2.210665931e+00 -2.210665931e+00 2.30 -2.475175091e+00 -2.475175091e+00 2.32 -2.715900670e+00 -2.715900670e+00 2.34 -2.934491135e+00 -2.934491135e+00 2.36 -3.132458855e+00 -3.132458855e+00 2.38 -3.311255112e+00 -3.311255112e+00 2.40 -3.472424843e+00 -3.472424843e+00 2.42 -3.617342394e+00 -3.617342394e+00 2.44 -3.747207327e+00 -3.747207327e+00 2.46 -3.863067539e+00 -3.863067539e+00 2.48 -3.965856495e+00 -3.965856495e+00 2.50 -4.056323893e+00 -4.056323893e+00 2.52 -4.134982648e+00 -4.134982648e+00 2.54 -4.202425135e+00 -4.202425135e+00 2.56 -4.259369414e+00 -4.259369414e+00 2.58 -4.306656685e+00 -4.306656685e+00 2.60 -4.345233581e+00 -4.345233581e+00 2.62 -4.376109691e+00 -4.376109691e+00 2.64 -4.400311533e+00 -4.400311533e+00 2.66 -4.418787425e+00 -4.418787425e+00 2.68 -4.432277895e+00 -4.432277895e+00 2.70 -4.441353957e+00 -4.441353957e+00 2.72 -4.446416345e+00 -4.446416345e+00 2.74 -4.447718878e+00 -4.447718878e+00 2.76 -4.445406236e+00 -4.445406236e+00 2.78 -4.439553654e+00 -4.439553654e+00 2.80 -4.430200291e+00 -4.430200291e+00 2.82 -4.417358774e+00 -4.417358774e+00 2.84 -4.401011302e+00 -4.401011302e+00 2.86 -4.381372698e+00 -4.381372698e+00 2.88 -4.359518568e+00 -4.359518568e+00 2.90 -4.335256916e+00 -4.335256916e+00 2.92 -4.308267655e+00 -4.308267655e+00 2.94 -4.278312784e+00 -4.278312784e+00 2.96 -4.245230799e+00 -4.245230799e+00 2.98 -4.208933997e+00 -4.208933997e+00 3.00 -4.169407242e+00 -4.169407242e+00 3.02 -4.126706023e+00 -4.126706023e+00 3.04 -4.080955665e+00 -4.080955665e+00 3.06 -4.032359729e+00 -4.032359729e+00 3.08 -3.981165565e+00 -3.981165565e+00 3.10 -3.927634549e+00 -3.927634549e+00 3.12 -3.872023461e+00 -3.872023461e+00 3.14 -3.814569634e+00 -3.814569634e+00 3.16 -3.755482533e+00 -3.755482533e+00 3.18 -3.694942846e+00 -3.694942846e+00 3.20 -3.633107706e+00 -3.633107706e+00 3.22 -3.570119721e+00 -3.570119721e+00 3.24 -3.506116964e+00 -3.506116964e+00 3.26 -3.441241457e+00 -3.441241457e+00 3.28 -3.375644484e+00 -3.375644484e+00 3.30 -3.309487962e+00 -3.309487962e+00 3.32 -3.242941983e+00 -3.242941983e+00 3.34 -3.176179311e+00 -3.176179311e+00 3.36 -3.109368016e+00 -3.109368016e+00 3.38 -3.042663611e+00 -3.042663611e+00 3.40 -2.976201934e+00 -2.976201934e+00 3.42 -2.910093728e+00 -2.910093728e+00 3.44 -2.844421434e+00 -2.844421434e+00 3.46 -2.779238356e+00 -2.779238356e+00 3.48 -2.714569935e+00 -2.714569935e+00 3.50 -2.650416699e+00 -2.650416699e+00 3.52 -2.586758389e+00 -2.586758389e+00 3.54 -2.523558756e+00 -2.523558756e+00 3.56 -2.460770673e+00 -2.460770673e+00 3.58 -2.398341303e+00 -2.398341303e+00 3.60 -2.336217184e+00 -2.336217184e+00 3.62 -2.274349171e+00 -2.274349171e+00 3.64 -2.212697188e+00 -2.212697188e+00 3.66 -2.151234732e+00 -2.151234732e+00 3.68 -2.089953008e+00 -2.089953008e+00 3.70 -2.028864519e+00 -2.028864519e+00 3.72 -1.968005840e+00 -1.968005840e+00 3.74 -1.907439285e+00 -1.907439285e+00 3.76 -1.847253154e+00 -1.847253154e+00 3.78 -1.787560320e+00 -1.787560320e+00 3.80 -1.728495020e+00 -1.728495020e+00 3.82 -1.670207907e+00 -1.670207907e+00 3.84 -1.612859596e+00 -1.612859596e+00 3.86 -1.556613144e+00 -1.556613144e+00 3.88 -1.501626077e+00 -1.501626077e+00 3.90 -1.448042610e+00 -1.448042610e+00 3.92 -1.395986731e+00 -1.395986731e+00 3.94 -1.345556731e+00 -1.345556731e+00 3.96 -1.296821465e+00 -1.296821465e+00 3.98 -1.249818662e+00 -1.249818662e+00 4.00 -1.204555135e+00 -1.204555135e+00 4.02 -1.161008744e+00 -1.161008744e+00 4.04 -1.119131795e+00 -1.119131795e+00 4.06 -1.078855495e+00 -1.078855495e+00 4.08 -1.040095101e+00 -1.040095101e+00 4.10 -1.002755403e+00 -1.002755403e+00 4.12 -9.667363884e-01 -9.667363884e-01 4.14 -9.319385186e-01 -9.319385186e-01 4.16 -8.982678689e-01 -8.982678689e-01 4.18 -8.656405854e-01 -8.656405854e-01 4.20 -8.339866062e-01 -8.339866062e-01 4.22 -8.032524015e-01 -8.032524015e-01 4.24 -7.734025132e-01 -7.734025132e-01 4.26 -7.444197053e-01 -7.444197053e-01 4.28 -7.163036173e-01 -7.163036173e-01 4.30 -6.890679529e-01 -6.890679529e-01 4.32 -6.627364100e-01 -6.627364100e-01 4.34 -6.373377429e-01 -6.373377429e-01 4.36 -6.129004856e-01 -6.129004856e-01 4.38 -5.894479225e-01 -5.894479225e-01 4.40 -5.669938486e-01 -5.669938486e-01 4.42 -5.455395182e-01 -5.455395182e-01 4.44 -5.250719812e-01 -5.250719812e-01 4.46 -5.055637937e-01 -5.055637937e-01 4.48 -4.869739112e-01 -4.869739112e-01 4.50 -4.692494616e-01 -4.692494616e-01 4.52 -4.523280510e-01 -4.523280510e-01 4.54 -4.361402805e-01 -4.361402805e-01 4.56 -4.206122130e-01 -4.206122130e-01 4.58 -4.056676153e-01 -4.056676153e-01 4.60 -3.912298803e-01 -3.912298803e-01 4.62 -3.772236095e-01 -3.772236095e-01 4.64 -3.635758840e-01 -3.635758840e-01 4.66 -3.502172884e-01 -3.502172884e-01 4.68 -3.370827667e-01 -3.370827667e-01 4.70 -3.241123895e-01 -3.241123895e-01 4.72 -3.112521107e-01 -3.112521107e-01 4.74 -2.984545633e-01 -2.984545633e-01 4.76 -2.856799263e-01 -2.856799263e-01 4.78 -2.728968734e-01 -2.728968734e-01 4.80 -2.600835615e-01 -2.600835615e-01 4.82 -2.472286715e-01 -2.472286715e-01 4.84 -2.343322198e-01 -2.343322198e-01 4.86 -2.214062804e-01 -2.214062804e-01 4.88 -2.084752829e-01 -2.084752829e-01 4.90 -1.955758250e-01 -1.955758250e-01 4.92 -1.827558740e-01 -1.827558740e-01 4.94 -1.700732901e-01 -1.700732901e-01 4.96 -1.575936577e-01 -1.575936577e-01 4.98 -1.453872493e-01 -1.453872493e-01 5.00 -1.335264583e-01 -1.335264583e-01 5.02 -1.220822407e-01 -1.220822407e-01 5.04 -1.111205948e-01 -1.111205948e-01 5.06 -1.006995998e-01 -1.006995998e-01 5.08 -9.086703886e-02 -9.086703886e-02 5.10 -8.165876745e-02 -8.165876745e-02 5.12 -7.309790061e-02 -7.309790061e-02 5.14 -6.519480141e-02 -6.519480141e-02 5.16 -5.794777485e-02 -5.794777485e-02 5.18 -5.134431764e-02 -5.134431764e-02 5.20 -4.536274750e-02 -4.536274750e-02 5.22 -3.997403336e-02 -3.997403336e-02 5.24 -3.514366253e-02 -3.514366253e-02 5.26 -3.083343425e-02 -3.083343425e-02 5.28 -2.700307227e-02 -2.700307227e-02 5.30 -2.361160923e-02 -2.361160923e-02 5.32 -2.061850477e-02 -2.061850477e-02 5.34 -1.798451861e-02 -1.798451861e-02 5.36 -1.567234586e-02 -1.567234586e-02 5.38 -1.364673661e-02 -1.364673661e-02 5.40 -1.187544349e-02 -1.187544349e-02 5.42 -1.032914196e-02 -1.032914196e-02 5.44 -8.981139297e-03 -8.981139297e-03 5.46 -7.807352037e-03 -7.807352037e-03 5.48 -6.786209682e-03 -6.786209682e-03 5.50 -5.898510194e-03 -5.898510194e-03 5.52 -5.127247053e-03 -5.127247053e-03 5.54 -4.457422499e-03 -4.457422499e-03 5.56 -3.875857520e-03 -3.875857520e-03 5.58 -3.371005895e-03 -3.371005895e-03 5.60 -2.932777113e-03 -2.932777113e-03 5.62 -2.552371085e-03 -2.552371085e-03 5.64 -2.222126241e-03 -2.222126241e-03 5.66 -1.935381561e-03 -1.935381561e-03 5.68 -1.686352477e-03 -1.686352477e-03 5.70 -1.470020094e-03 -1.470020094e-03 5.72 -1.282032919e-03 -1.282032919e-03 5.74 -1.118620133e-03 -1.118620133e-03 5.76 -9.765153715e-04 -9.765153715e-04 5.78 -8.528899766e-04 -8.528899766e-04 5.80 -7.452947064e-04 -7.452947064e-04 5.82 -6.516089554e-04 -6.516089554e-04 5.84 -5.699966023e-04 -5.699966023e-04 5.86 -4.988676824e-04 -4.988676824e-04 5.88 -4.368451592e-04 -4.368451592e-04 5.90 -3.827361471e-04 -3.827361471e-04 5.92 -3.355070096e-04 -3.355070096e-04 5.94 -2.942618246e-04 -2.942618246e-04 5.96 -2.582237702e-04 -2.582237702e-04 5.98 -2.267190422e-04 -2.267190422e-04 6.00 -1.991629591e-04 -1.991629591e-04