# 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 = Al2FeTa # 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 1.621788003e+02 1.621788003e+02 1.30 1.499769517e+02 1.499769517e+02 1.32 1.386969330e+02 1.386969330e+02 1.34 1.282619872e+02 1.282619872e+02 1.36 1.186024012e+02 1.186024012e+02 1.38 1.096563351e+02 1.096563351e+02 1.40 1.013690293e+02 1.013690293e+02 1.42 9.369085684e+01 9.369085684e+01 1.44 8.657522491e+01 8.657522491e+01 1.46 7.997730102e+01 7.997730102e+01 1.48 7.385418942e+01 7.385418942e+01 1.50 6.816622208e+01 6.816622208e+01 1.52 6.287810924e+01 6.287810924e+01 1.54 5.795898452e+01 5.795898452e+01 1.56 5.338154537e+01 5.338154537e+01 1.58 4.912108240e+01 4.912108240e+01 1.60 4.515485020e+01 4.515485020e+01 1.62 4.146173237e+01 4.146173237e+01 1.64 3.802202359e+01 3.802202359e+01 1.66 3.481730027e+01 3.481730027e+01 1.68 3.183376491e+01 3.183376491e+01 1.70 2.905836865e+01 2.905836865e+01 1.72 2.647637407e+01 2.647637407e+01 1.74 2.407450352e+01 2.407450352e+01 1.76 2.184076943e+01 2.184076943e+01 1.78 1.976411315e+01 1.976411315e+01 1.80 1.783666275e+01 1.783666275e+01 1.82 1.604991280e+01 1.604991280e+01 1.84 1.439425276e+01 1.439425276e+01 1.86 1.286069283e+01 1.286069283e+01 1.88 1.144083861e+01 1.144083861e+01 1.90 1.012682355e+01 1.012682355e+01 1.92 8.911219666e+00 8.911219666e+00 1.94 7.786949353e+00 7.786949353e+00 1.96 6.747221812e+00 6.747221812e+00 1.98 5.785516247e+00 5.785516247e+00 2.00 4.895624087e+00 4.895624087e+00 2.02 4.071739667e+00 4.071739667e+00 2.04 3.308561070e+00 3.308561070e+00 2.06 2.601353752e+00 2.601353752e+00 2.08 1.945951354e+00 1.945951354e+00 2.10 1.338701285e+00 1.338701285e+00 2.12 7.763808917e-01 7.763808917e-01 2.14 2.561091617e-01 2.561091617e-01 2.16 -2.247295750e-01 -2.247295750e-01 2.18 -6.685425619e-01 -6.685425619e-01 2.20 -1.077566756e+00 -1.077566756e+00 2.22 -1.453895019e+00 -1.453895019e+00 2.24 -1.799498625e+00 -1.799498625e+00 2.26 -2.116250711e+00 -2.116250711e+00 2.28 -2.405949401e+00 -2.405949401e+00 2.30 -2.670335061e+00 -2.670335061e+00 2.32 -2.911095828e+00 -2.911095828e+00 2.34 -3.129816641e+00 -3.129816641e+00 2.36 -3.327941785e+00 -3.327941785e+00 2.38 -3.507067172e+00 -3.507067172e+00 2.40 -3.668636536e+00 -3.668636536e+00 2.42 -3.813896297e+00 -3.813896297e+00 2.44 -3.943904950e+00 -3.943904950e+00 2.46 -4.059565840e+00 -4.059565840e+00 2.48 -4.161553898e+00 -4.161553898e+00 2.50 -4.250258162e+00 -4.250258162e+00 2.52 -4.326148547e+00 -4.326148547e+00 2.54 -4.389836380e+00 -4.389836380e+00 2.56 -4.442079762e+00 -4.442079762e+00 2.58 -4.483780080e+00 -4.483780080e+00 2.60 -4.515959582e+00 -4.515959582e+00 2.62 -4.539712967e+00 -4.539712967e+00 2.64 -4.556135588e+00 -4.556135588e+00 2.66 -4.566242633e+00 -4.566242633e+00 2.68 -4.570900751e+00 -4.570900751e+00 2.70 -4.570789717e+00 -4.570789717e+00 2.72 -4.566400399e+00 -4.566400399e+00 2.74 -4.558062682e+00 -4.558062682e+00 2.76 -4.545989814e+00 -4.545989814e+00 2.78 -4.530325338e+00 -4.530325338e+00 2.80 -4.511184264e+00 -4.511184264e+00 2.82 -4.488679821e+00 -4.488679821e+00 2.84 -4.463126305e+00 -4.463126305e+00 2.86 -4.435782735e+00 -4.435782735e+00 2.88 -4.406593570e+00 -4.406593570e+00 2.90 -4.375315562e+00 -4.375315562e+00 2.92 -4.341772751e+00 -4.341772751e+00 2.94 -4.305841667e+00 -4.305841667e+00 2.96 -4.267441761e+00 -4.267441761e+00 2.98 -4.226530729e+00 -4.226530729e+00 3.00 -4.183065695e+00 -4.183065695e+00 3.02 -4.136997274e+00 -4.136997274e+00 3.04 -4.088352248e+00 -4.088352248e+00 3.06 -4.037207767e+00 -4.037207767e+00 3.08 -3.983677038e+00 -3.983677038e+00 3.10 -3.927897220e+00 -3.927897220e+00 3.12 -3.870015741e+00 -3.870015741e+00 3.14 -3.810178482e+00 -3.810178482e+00 3.16 -3.748522494e+00 -3.748522494e+00 3.18 -3.685174986e+00 -3.685174986e+00 3.20 -3.620257959e+00 -3.620257959e+00 3.22 -3.553896650e+00 -3.553896650e+00 3.24 -3.486229128e+00 -3.486229128e+00 3.26 -3.417414440e+00 -3.417414440e+00 3.28 -3.347637292e+00 -3.347637292e+00 3.30 -3.277108166e+00 -3.277108166e+00 3.32 -3.206058681e+00 -3.206058681e+00 3.34 -3.134732886e+00 -3.134732886e+00 3.36 -3.063375813e+00 -3.063375813e+00 3.38 -2.992220984e+00 -2.992220984e+00 3.40 -2.921478618e+00 -2.921478618e+00 3.42 -2.851326026e+00 -2.851326026e+00 3.44 -2.781901137e+00 -2.781901137e+00 3.46 -2.713299621e+00 -2.713299621e+00 3.48 -2.645575416e+00 -2.645575416e+00 3.50 -2.578744140e+00 -2.578744140e+00 3.52 -2.512788613e+00 -2.512788613e+00 3.54 -2.447665717e+00 -2.447665717e+00 3.56 -2.383313889e+00 -2.383313889e+00 3.58 -2.319660719e+00 -2.319660719e+00 3.60 -2.256630295e+00 -2.256630295e+00 3.62 -2.194150080e+00 -2.194150080e+00 3.64 -2.132157199e+00 -2.132157199e+00 3.66 -2.070604031e+00 -2.070604031e+00 3.68 -2.009463013e+00 -2.009463013e+00 3.70 -1.948730511e+00 -1.948730511e+00 3.72 -1.888429553e+00 -1.888429553e+00 3.74 -1.828611210e+00 -1.828611210e+00 3.76 -1.769354396e+00 -1.769354396e+00 3.78 -1.710763920e+00 -1.710763920e+00 3.80 -1.652966721e+00 -1.652966721e+00 3.82 -1.596106407e+00 -1.596106407e+00 3.84 -1.540336359e+00 -1.540336359e+00 3.86 -1.485811891e+00 -1.485811891e+00 3.88 -1.432682044e+00 -1.432682044e+00 3.90 -1.381081724e+00 -1.381081724e+00 3.92 -1.331124794e+00 -1.331124794e+00 3.94 -1.282898716e+00 -1.282898716e+00 3.96 -1.236461003e+00 -1.236461003e+00 3.98 -1.191837764e+00 -1.191837764e+00 4.00 -1.149024170e+00 -1.149024170e+00 4.02 -1.107986676e+00 -1.107986676e+00 4.04 -1.068666623e+00 -1.068666623e+00 4.06 -1.030984849e+00 -1.030984849e+00 4.08 -9.948468981e-01 -9.948468981e-01 4.10 -9.601484706e-01 -9.601484706e-01 4.12 -9.267809556e-01 -9.267809556e-01 4.14 -8.946364669e-01 -8.946364669e-01 4.16 -8.636126810e-01 -8.636126810e-01 4.18 -8.336169501e-01 -8.336169501e-01 4.20 -8.045696944e-01 -8.045696944e-01 4.22 -7.764068926e-01 -7.764068926e-01 4.24 -7.490815190e-01 -7.490815190e-01 4.26 -7.225637927e-01 -7.225637927e-01 4.28 -6.968401631e-01 -6.968401631e-01 4.30 -6.719110488e-01 -6.719110488e-01 4.32 -6.477874792e-01 -6.477874792e-01 4.34 -6.244869265e-01 -6.244869265e-01 4.36 -6.020287367e-01 -6.020287367e-01 4.38 -5.804296349e-01 -5.804296349e-01 4.40 -5.596997676e-01 -5.596997676e-01 4.42 -5.398396568e-01 -5.398396568e-01 4.44 -5.208382915e-01 -5.208382915e-01 4.46 -5.026724087e-01 -5.026724087e-01 4.48 -4.853068532e-01 -4.853068532e-01 4.50 -4.686957943e-01 -4.686957943e-01 4.52 -4.527845314e-01 -4.527845314e-01 4.54 -4.375115607e-01 -4.375115607e-01 4.56 -4.228106948e-01 -4.228106948e-01 4.58 -4.086130589e-01 -4.086130589e-01 4.60 -3.948488861e-01 -3.948488861e-01 4.62 -3.814490095e-01 -3.814490095e-01 4.64 -3.683456665e-01 -3.683456665e-01 4.66 -3.554743240e-01 -3.554743240e-01 4.68 -3.427746684e-01 -3.427746684e-01 4.70 -3.301906417e-01 -3.301906417e-01 4.72 -3.176713365e-01 -3.176713365e-01 4.74 -3.051718826e-01 -3.051718826e-01 4.76 -2.926543720e-01 -2.926543720e-01 4.78 -2.800888402e-01 -2.800888402e-01 4.80 -2.674542794e-01 -2.674542794e-01 4.82 -2.547397028e-01 -2.547397028e-01 4.84 -2.419450033e-01 -2.419450033e-01 4.86 -2.290817421e-01 -2.290817421e-01 4.88 -2.161735525e-01 -2.161735525e-01 4.90 -2.032561076e-01 -2.032561076e-01 4.92 -1.903765222e-01 -1.903765222e-01 4.94 -1.775921115e-01 -1.775921115e-01 4.96 -1.649684857e-01 -1.649684857e-01 4.98 -1.525770320e-01 -1.525770320e-01 5.00 -1.404919164e-01 -1.404919164e-01 5.02 -1.287868048e-01 -1.287868048e-01 5.04 -1.175315538e-01 -1.175315538e-01 5.06 -1.067891370e-01 -1.067891370e-01 5.08 -9.661305193e-02 -9.661305193e-02 5.10 -8.704539599e-02 -8.704539599e-02 5.12 -7.811572297e-02 -7.811572297e-02 5.14 -6.984070219e-02 -6.984070219e-02 5.16 -6.222452003e-02 -6.222452003e-02 5.18 -5.525989960e-02 -5.525989960e-02 5.20 -4.892957553e-02 -4.892957553e-02 5.22 -4.320804603e-02 -4.320804603e-02 5.24 -3.806343092e-02 -3.806343092e-02 5.26 -3.345931087e-02 -3.345931087e-02 5.28 -2.935642542e-02 -2.935642542e-02 5.30 -2.571416293e-02 -2.571416293e-02 5.32 -2.249179810e-02 -2.249179810e-02 5.34 -1.964948229e-02 -1.964948229e-02 5.36 -1.714898540e-02 -1.714898540e-02 5.38 -1.495373573e-02 -1.495373573e-02 5.40 -1.303024027e-02 -1.303024027e-02 5.42 -1.134795804e-02 -1.134795804e-02 5.44 -9.878893048e-03 -9.878893048e-03 5.46 -8.597639437e-03 -8.597639437e-03 5.48 -7.481331538e-03 -7.481331538e-03 5.50 -6.509529826e-03 -6.509529826e-03 5.52 -5.664066644e-03 -5.664066644e-03 5.54 -4.928869601e-03 -4.928869601e-03 5.56 -4.289775668e-03 -4.289775668e-03 5.58 -3.734345165e-03 -3.734345165e-03 5.60 -3.251681822e-03 -3.251681822e-03 5.62 -2.832262886e-03 -2.832262886e-03 5.64 -2.467781559e-03 -2.467781559e-03 5.66 -2.151002881e-03 -2.151002881e-03 5.68 -1.875633324e-03 -1.875633324e-03 5.70 -1.636203814e-03 -1.636203814e-03 5.72 -1.427965519e-03 -1.427965519e-03 5.74 -1.246797542e-03 -1.246797542e-03 5.76 -1.089125536e-03 -1.089125536e-03 5.78 -9.518502249e-04 -9.518502249e-04 5.80 -8.322848163e-04 -8.322848163e-04 5.82 -7.281003556e-04 -7.281003556e-04 5.84 -6.372781039e-04 -6.372781039e-04 5.86 -5.580681170e-04 -5.580681170e-04 5.88 -4.889532681e-04 -4.889532681e-04 5.90 -4.286180349e-04 -4.286180349e-04 5.92 -3.759214470e-04 -3.759214470e-04 5.94 -3.298736547e-04 -3.298736547e-04 5.96 -2.896156465e-04 -2.896156465e-04 5.98 -2.544016996e-04 -2.544016996e-04 6.00 -2.235842005e-04 -2.235842005e-04