# 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 = AlTaZr2 # 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 3.111232942e+02 3.111232942e+02 1.30 2.898509941e+02 2.898509941e+02 1.32 2.700842486e+02 2.700842486e+02 1.34 2.517067388e+02 2.517067388e+02 1.36 2.346118864e+02 2.346118864e+02 1.38 2.187025695e+02 2.187025695e+02 1.40 2.038904207e+02 2.038904207e+02 1.42 1.900944317e+02 1.900944317e+02 1.44 1.772394138e+02 1.772394138e+02 1.46 1.652549302e+02 1.652549302e+02 1.48 1.540750425e+02 1.540750425e+02 1.50 1.436386305e+02 1.436386305e+02 1.52 1.338897289e+02 1.338897289e+02 1.54 1.247774147e+02 1.247774147e+02 1.56 1.162555272e+02 1.162555272e+02 1.58 1.082823523e+02 1.082823523e+02 1.60 1.008201962e+02 1.008201962e+02 1.62 9.383471642e+01 9.383471642e+01 1.64 8.729427389e+01 8.729427389e+01 1.66 8.116945291e+01 8.116945291e+01 1.68 7.543288632e+01 7.543288632e+01 1.70 7.005932092e+01 7.005932092e+01 1.72 6.502557953e+01 6.502557953e+01 1.74 6.031033602e+01 6.031033602e+01 1.76 5.589375089e+01 5.589375089e+01 1.78 5.175716525e+01 5.175716525e+01 1.80 4.788290168e+01 4.788290168e+01 1.82 4.425417178e+01 4.425417178e+01 1.84 4.085502313e+01 4.085502313e+01 1.86 3.767042148e+01 3.767042148e+01 1.88 3.468631705e+01 3.468631705e+01 1.90 3.188966279e+01 3.188966279e+01 1.92 2.926833431e+01 2.926833431e+01 1.94 2.681097375e+01 2.681097375e+01 1.96 2.450686486e+01 2.450686486e+01 1.98 2.234600770e+01 2.234600770e+01 2.00 2.032055339e+01 2.032055339e+01 2.02 1.842473786e+01 1.842473786e+01 2.04 1.665054812e+01 1.665054812e+01 2.06 1.499104362e+01 1.499104362e+01 2.08 1.344004734e+01 1.344004734e+01 2.10 1.199094403e+01 1.199094403e+01 2.12 1.063751063e+01 1.063751063e+01 2.14 9.373859573e+00 9.373859573e+00 2.16 8.194424502e+00 8.194424502e+00 2.18 7.093953751e+00 7.093953751e+00 2.20 6.067516654e+00 6.067516654e+00 2.22 5.110477015e+00 5.110477015e+00 2.24 4.218476106e+00 4.218476106e+00 2.26 3.387426662e+00 3.387426662e+00 2.28 2.613502256e+00 2.613502256e+00 2.30 1.893162670e+00 1.893162670e+00 2.32 1.223117389e+00 1.223117389e+00 2.34 6.003198070e-01 6.003198070e-01 2.36 2.192198124e-02 2.192198124e-02 2.38 -5.147538707e-01 -5.147538707e-01 2.40 -1.012240328e+00 -1.012240328e+00 2.42 -1.472950735e+00 -1.472950735e+00 2.44 -1.899186806e+00 -1.899186806e+00 2.46 -2.293154162e+00 -2.293154162e+00 2.48 -2.656962021e+00 -2.656962021e+00 2.50 -2.992618007e+00 -2.992618007e+00 2.52 -3.302020850e+00 -3.302020850e+00 2.54 -3.586955510e+00 -3.586955510e+00 2.56 -3.849092726e+00 -3.849092726e+00 2.58 -4.089992365e+00 -4.089992365e+00 2.60 -4.311108303e+00 -4.311108303e+00 2.62 -4.513789652e+00 -4.513789652e+00 2.64 -4.699291879e+00 -4.699291879e+00 2.66 -4.868758862e+00 -4.868758862e+00 2.68 -5.023234986e+00 -5.023234986e+00 2.70 -5.163666061e+00 -5.163666061e+00 2.72 -5.290908434e+00 -5.290908434e+00 2.74 -5.405740847e+00 -5.405740847e+00 2.76 -5.508875953e+00 -5.508875953e+00 2.78 -5.600966919e+00 -5.600966919e+00 2.80 -5.682624471e+00 -5.682624471e+00 2.82 -5.754390005e+00 -5.754390005e+00 2.84 -5.816783284e+00 -5.816783284e+00 2.86 -5.870370511e+00 -5.870370511e+00 2.88 -5.915562347e+00 -5.915562347e+00 2.90 -5.952762005e+00 -5.952762005e+00 2.92 -5.982369699e+00 -5.982369699e+00 2.94 -6.004784411e+00 -6.004784411e+00 2.96 -6.020405019e+00 -6.020405019e+00 2.98 -6.029630537e+00 -6.029630537e+00 3.00 -6.032859295e+00 -6.032859295e+00 3.02 -6.030468835e+00 -6.030468835e+00 3.04 -6.022614424e+00 -6.022614424e+00 3.06 -6.009344919e+00 -6.009344919e+00 3.08 -5.990741374e+00 -5.990741374e+00 3.10 -5.966923918e+00 -5.966923918e+00 3.12 -5.938033121e+00 -5.938033121e+00 3.14 -5.904235199e+00 -5.904235199e+00 3.16 -5.865695300e+00 -5.865695300e+00 3.18 -5.822590503e+00 -5.822590503e+00 3.20 -5.775583665e+00 -5.775583665e+00 3.22 -5.725229524e+00 -5.725229524e+00 3.24 -5.671409195e+00 -5.671409195e+00 3.26 -5.614068861e+00 -5.614068861e+00 3.28 -5.553222156e+00 -5.553222156e+00 3.30 -5.488949193e+00 -5.488949193e+00 3.32 -5.421391966e+00 -5.421391966e+00 3.34 -5.350745681e+00 -5.350745681e+00 3.36 -5.277257147e+00 -5.277257147e+00 3.38 -5.201201944e+00 -5.201201944e+00 3.40 -5.122852485e+00 -5.122852485e+00 3.42 -5.042470579e+00 -5.042470579e+00 3.44 -4.960289904e+00 -4.960289904e+00 3.46 -4.876518197e+00 -4.876518197e+00 3.48 -4.791334732e+00 -4.791334732e+00 3.50 -4.704891811e+00 -4.704891811e+00 3.52 -4.617317619e+00 -4.617317619e+00 3.54 -4.528719784e+00 -4.528719784e+00 3.56 -4.439189315e+00 -4.439189315e+00 3.58 -4.348804787e+00 -4.348804787e+00 3.60 -4.257636745e+00 -4.257636745e+00 3.62 -4.165752318e+00 -4.165752318e+00 3.64 -4.073220053e+00 -4.073220053e+00 3.66 -3.980114882e+00 -3.980114882e+00 3.68 -3.886523124e+00 -3.886523124e+00 3.70 -3.792547321e+00 -3.792547321e+00 3.72 -3.698310657e+00 -3.698310657e+00 3.74 -3.603960626e+00 -3.603960626e+00 3.76 -3.509671557e+00 -3.509671557e+00 3.78 -3.415645542e+00 -3.415645542e+00 3.80 -3.322111335e+00 -3.322111335e+00 3.82 -3.229320805e+00 -3.229320805e+00 3.84 -3.137542691e+00 -3.137542691e+00 3.86 -3.047053708e+00 -3.047053708e+00 3.88 -2.958127433e+00 -2.958127433e+00 3.90 -2.871021900e+00 -2.871021900e+00 3.92 -2.785963961e+00 -2.785963961e+00 3.94 -2.703152257e+00 -2.703152257e+00 3.96 -2.622727684e+00 -2.622727684e+00 3.98 -2.544784732e+00 -2.544784732e+00 4.00 -2.469367539e+00 -2.469367539e+00 4.02 -2.396473663e+00 -2.396473663e+00 4.04 -2.326060563e+00 -2.326060563e+00 4.06 -2.258053675e+00 -2.258053675e+00 4.08 -2.192355016e+00 -2.192355016e+00 4.10 -2.128843079e+00 -2.128843079e+00 4.12 -2.067415529e+00 -2.067415529e+00 4.14 -2.007940032e+00 -2.007940032e+00 4.16 -1.950298484e+00 -1.950298484e+00 4.18 -1.894380646e+00 -1.894380646e+00 4.20 -1.840087063e+00 -1.840087063e+00 4.22 -1.787330993e+00 -1.787330993e+00 4.24 -1.736039404e+00 -1.736039404e+00 4.26 -1.686153082e+00 -1.686153082e+00 4.28 -1.637625902e+00 -1.637625902e+00 4.30 -1.590423337e+00 -1.590423337e+00 4.32 -1.544520307e+00 -1.544520307e+00 4.34 -1.499898569e+00 -1.499898569e+00 4.36 -1.456543862e+00 -1.456543862e+00 4.38 -1.414443086e+00 -1.414443086e+00 4.40 -1.373581769e+00 -1.373581769e+00 4.42 -1.333942029e+00 -1.333942029e+00 4.44 -1.295501179e+00 -1.295501179e+00 4.46 -1.258230999e+00 -1.258230999e+00 4.48 -1.222097640e+00 -1.222097640e+00 4.50 -1.187062033e+00 -1.187062033e+00 4.52 -1.153080669e+00 -1.153080669e+00 4.54 -1.120106576e+00 -1.120106576e+00 4.56 -1.088090375e+00 -1.088090375e+00 4.58 -1.056981299e+00 -1.056981299e+00 4.60 -1.026728120e+00 -1.026728120e+00 4.62 -9.972799499e-01 -9.972799499e-01 4.64 -9.685869158e-01 -9.685869158e-01 4.66 -9.406007262e-01 -9.406007262e-01 4.68 -9.132751601e-01 -9.132751601e-01 4.70 -8.865665089e-01 -8.865665089e-01 4.72 -8.604340046e-01 -8.604340046e-01 4.74 -8.348402562e-01 -8.348402562e-01 4.76 -8.097517091e-01 -8.097517091e-01 4.78 -7.851391299e-01 -7.851391299e-01 4.80 -7.609720316e-01 -7.609720316e-01 4.82 -7.372444683e-01 -7.372444683e-01 4.84 -7.139357810e-01 -7.139357810e-01 4.86 -6.910386628e-01 -6.910386628e-01 4.88 -6.685519983e-01 -6.685519983e-01 4.90 -6.464807850e-01 -6.464807850e-01 4.92 -6.248357715e-01 -6.248357715e-01 4.94 -6.036327813e-01 -6.036327813e-01 4.96 -5.828917164e-01 -5.828917164e-01 4.98 -5.626352725e-01 -5.626352725e-01 5.00 -5.428874340e-01 -5.428874340e-01 5.02 -5.236718508e-01 -5.236718508e-01 5.04 -5.050102207e-01 -5.050102207e-01 5.06 -4.869208056e-01 -4.869208056e-01 5.08 -4.694172016e-01 -4.694172016e-01 5.10 -4.525074523e-01 -4.525074523e-01 5.12 -4.361935571e-01 -4.361935571e-01 5.14 -4.204713864e-01 -4.204713864e-01 5.16 -4.053309727e-01 -4.053309727e-01 5.18 -3.907571202e-01 -3.907571202e-01 5.20 -3.767302555e-01 -3.767302555e-01 5.22 -3.632274359e-01 -3.632274359e-01 5.24 -3.502234356e-01 -3.502234356e-01 5.26 -3.376918415e-01 -3.376918415e-01 5.28 -3.256061003e-01 -3.256061003e-01 5.30 -3.139404757e-01 -3.139404757e-01 5.32 -3.026708828e-01 -3.026708828e-01 5.34 -2.917755748e-01 -2.917755748e-01 5.36 -2.812356633e-01 -2.812356633e-01 5.38 -2.710354556e-01 -2.710354556e-01 5.40 -2.611625972e-01 -2.611625972e-01 5.42 -2.516080132e-01 -2.516080132e-01 5.44 -2.423656494e-01 -2.423656494e-01 5.46 -2.334320296e-01 -2.334320296e-01 5.48 -2.248056562e-01 -2.248056562e-01 5.50 -2.164863000e-01 -2.164863000e-01 5.52 -2.084742342e-01 -2.084742342e-01 5.54 -2.007694807e-01 -2.007694807e-01 5.56 -1.933711289e-01 -1.933711289e-01 5.58 -1.862767805e-01 -1.862767805e-01 5.60 -1.794821591e-01 -1.794821591e-01 5.62 -1.729805902e-01 -1.729805902e-01 5.64 -1.667635987e-01 -1.667635987e-01 5.66 -1.608209575e-01 -1.608209575e-01 5.68 -1.551406040e-01 -1.551406040e-01 5.70 -1.497089897e-01 -1.497089897e-01 5.72 -1.445114651e-01 -1.445114651e-01 5.74 -1.395326630e-01 -1.395326630e-01 5.76 -1.347568532e-01 -1.347568532e-01 5.78 -1.301682502e-01 -1.301682502e-01 5.80 -1.257512664e-01 -1.257512664e-01 5.82 -1.214907076e-01 -1.214907076e-01 5.84 -1.173719152e-01 -1.173719152e-01 5.86 -1.133808635e-01 -1.133808635e-01 5.88 -1.095042191e-01 -1.095042191e-01 5.90 -1.057293756e-01 -1.057293756e-01 5.92 -1.020444699e-01 -1.020444699e-01 5.94 -9.843839164e-02 -9.843839164e-02 5.96 -9.490079231e-02 -9.490079231e-02 5.98 -9.142210092e-02 -9.142210092e-02 6.00 -8.799355115e-02 -8.799355115e-02