# 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 = Au2PdW # 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 4.218977847e+02 4.218977847e+02 1.30 3.915041037e+02 3.915041037e+02 1.32 3.633119462e+02 3.633119462e+02 1.34 3.371551959e+02 3.371551959e+02 1.36 3.128870988e+02 3.128870988e+02 1.38 2.903744931e+02 2.903744931e+02 1.40 2.694930592e+02 2.694930592e+02 1.42 2.501241313e+02 2.501241313e+02 1.44 2.321534222e+02 2.321534222e+02 1.46 2.154713787e+02 2.154713787e+02 1.48 1.999743450e+02 1.999743450e+02 1.50 1.855657790e+02 1.855657790e+02 1.52 1.721571330e+02 1.721571330e+02 1.54 1.596681971e+02 1.596681971e+02 1.56 1.480268167e+02 1.480268167e+02 1.58 1.371681096e+02 1.371681096e+02 1.60 1.270334414e+02 1.270334414e+02 1.62 1.175693755e+02 1.175693755e+02 1.64 1.087267973e+02 1.087267973e+02 1.66 1.004604006e+02 1.004604006e+02 1.68 9.272856255e+01 9.272856255e+01 1.70 8.549341991e+01 8.549341991e+01 1.72 7.872092132e+01 7.872092132e+01 1.74 7.238073408e+01 7.238073408e+01 1.76 6.644596802e+01 6.644596802e+01 1.78 6.089268835e+01 6.089268835e+01 1.80 5.569959281e+01 5.569959281e+01 1.82 5.084690524e+01 5.084690524e+01 1.84 4.632940625e+01 4.632940625e+01 1.86 4.215686222e+01 4.215686222e+01 1.88 3.830809971e+01 3.830809971e+01 1.90 3.475970841e+01 3.475970841e+01 1.92 3.148947358e+01 3.148947358e+01 1.94 2.847647062e+01 2.847647062e+01 1.96 2.570104199e+01 2.570104199e+01 1.98 2.314473005e+01 2.314473005e+01 2.00 2.079023276e+01 2.079023276e+01 2.02 1.862139696e+01 1.862139696e+01 2.04 1.662322123e+01 1.662322123e+01 2.06 1.478183557e+01 1.478183557e+01 2.08 1.308444998e+01 1.308444998e+01 2.10 1.151928902e+01 1.151928902e+01 2.12 1.007553628e+01 1.007553628e+01 2.14 8.743300154e+00 8.743300154e+00 2.16 7.513594083e+00 7.513594083e+00 2.18 6.378314165e+00 6.378314165e+00 2.20 5.330198580e+00 5.330198580e+00 2.22 4.362763170e+00 4.362763170e+00 2.24 3.470217235e+00 3.470217235e+00 2.26 2.647368753e+00 2.647368753e+00 2.28 1.889528792e+00 1.889528792e+00 2.30 1.192422831e+00 1.192422831e+00 2.32 5.521141005e-01 5.521141005e-01 2.34 -3.505825024e-02 -3.505825024e-02 2.36 -5.725250103e-01 -5.725250103e-01 2.38 -1.063494293e+00 -1.063494293e+00 2.40 -1.510939286e+00 -1.510939286e+00 2.42 -1.917818378e+00 -1.917818378e+00 2.44 -2.286919105e+00 -2.286919105e+00 2.46 -2.620846921e+00 -2.620846921e+00 2.48 -2.922042404e+00 -2.922042404e+00 2.50 -3.192802978e+00 -3.192802978e+00 2.52 -3.435305176e+00 -3.435305176e+00 2.54 -3.651561364e+00 -3.651561364e+00 2.56 -3.843251930e+00 -3.843251930e+00 2.58 -4.011969549e+00 -4.011969549e+00 2.60 -4.159284038e+00 -4.159284038e+00 2.62 -4.286719463e+00 -4.286719463e+00 2.64 -4.395729425e+00 -4.395729425e+00 2.66 -4.487673870e+00 -4.487673870e+00 2.68 -4.563802136e+00 -4.563802136e+00 2.70 -4.625245872e+00 -4.625245872e+00 2.72 -4.673022622e+00 -4.673022622e+00 2.74 -4.708047766e+00 -4.708047766e+00 2.76 -4.731150934e+00 -4.731150934e+00 2.78 -4.743166697e+00 -4.743166697e+00 2.80 -4.745231468e+00 -4.745231468e+00 2.82 -4.737841866e+00 -4.737841866e+00 2.84 -4.721414988e+00 -4.721414988e+00 2.86 -4.696490715e+00 -4.696490715e+00 2.88 -4.663382249e+00 -4.663382249e+00 2.90 -4.622426792e+00 -4.622426792e+00 2.92 -4.574077182e+00 -4.574077182e+00 2.94 -4.518943835e+00 -4.518943835e+00 2.96 -4.457684424e+00 -4.457684424e+00 2.98 -4.390978260e+00 -4.390978260e+00 3.00 -4.319511859e+00 -4.319511859e+00 3.02 -4.243952359e+00 -4.243952359e+00 3.04 -4.164934216e+00 -4.164934216e+00 3.06 -4.083054385e+00 -4.083054385e+00 3.08 -3.998857607e+00 -3.998857607e+00 3.10 -3.912823836e+00 -3.912823836e+00 3.12 -3.825359587e+00 -3.825359587e+00 3.14 -3.736794306e+00 -3.736794306e+00 3.16 -3.647382189e+00 -3.647382189e+00 3.18 -3.557309081e+00 -3.557309081e+00 3.20 -3.466703357e+00 -3.466703357e+00 3.22 -3.375649305e+00 -3.375649305e+00 3.24 -3.284201565e+00 -3.284201565e+00 3.26 -3.192399476e+00 -3.192399476e+00 3.28 -3.100280560e+00 -3.100280560e+00 3.30 -3.007892672e+00 -3.007892672e+00 3.32 -2.915304545e+00 -2.915304545e+00 3.34 -2.822614441e+00 -2.822614441e+00 3.36 -2.729956595e+00 -2.729956595e+00 3.38 -2.637505046e+00 -2.637505046e+00 3.40 -2.545474438e+00 -2.545474438e+00 3.42 -2.454117453e+00 -2.454117453e+00 3.44 -2.363718768e+00 -2.363718768e+00 3.46 -2.274585766e+00 -2.274585766e+00 3.48 -2.187036605e+00 -2.187036605e+00 3.50 -2.101386619e+00 -2.101386619e+00 3.52 -2.017934317e+00 -2.017934317e+00 3.54 -1.936948279e+00 -1.936948279e+00 3.56 -1.858656180e+00 -1.858656180e+00 3.58 -1.783236831e+00 -1.783236831e+00 3.60 -1.710815743e+00 -1.710815743e+00 3.62 -1.641464230e+00 -1.641464230e+00 3.64 -1.575201714e+00 -1.575201714e+00 3.66 -1.512000568e+00 -1.512000568e+00 3.68 -1.451792718e+00 -1.451792718e+00 3.70 -1.394477200e+00 -1.394477200e+00 3.72 -1.339927962e+00 -1.339927962e+00 3.74 -1.288001340e+00 -1.288001340e+00 3.76 -1.238542818e+00 -1.238542818e+00 3.78 -1.191392842e+00 -1.191392842e+00 3.80 -1.146391603e+00 -1.146391603e+00 3.82 -1.103382777e+00 -1.103382777e+00 3.84 -1.062216329e+00 -1.062216329e+00 3.86 -1.022750490e+00 -1.022750490e+00 3.88 -9.848530527e-01 -9.848530527e-01 3.90 -9.484021372e-01 -9.484021372e-01 3.92 -9.132865730e-01 -9.132865730e-01 3.94 -8.794060180e-01 -8.794060180e-01 3.96 -8.466709101e-01 -8.466709101e-01 3.98 -8.150023373e-01 -8.150023373e-01 4.00 -7.843318484e-01 -7.843318484e-01 4.02 -7.546012122e-01 -7.546012122e-01 4.04 -7.257620939e-01 -7.257620939e-01 4.06 -6.977755981e-01 -6.977755981e-01 4.08 -6.706116228e-01 -6.706116228e-01 4.10 -6.442479820e-01 -6.442479820e-01 4.12 -6.186693002e-01 -6.186693002e-01 4.14 -5.938656856e-01 -5.938656856e-01 4.16 -5.698313113e-01 -5.698313113e-01 4.18 -5.465629838e-01 -5.465629838e-01 4.20 -5.240588328e-01 -5.240588328e-01 4.22 -5.023172115e-01 -5.023172115e-01 4.24 -4.813358467e-01 -4.813358467e-01 4.26 -4.611112187e-01 -4.611112187e-01 4.28 -4.416381041e-01 -4.416381041e-01 4.30 -4.229091927e-01 -4.229091927e-01 4.32 -4.049147057e-01 -4.049147057e-01 4.34 -3.876419794e-01 -3.876419794e-01 4.36 -3.710750311e-01 -3.710750311e-01 4.38 -3.551941699e-01 -3.551941699e-01 4.40 -3.399757325e-01 -3.399757325e-01 4.42 -3.253920254e-01 -3.253920254e-01 4.44 -3.114115248e-01 -3.114115248e-01 4.46 -2.979993438e-01 -2.979993438e-01 4.48 -2.851179403e-01 -2.851179403e-01 4.50 -2.727280047e-01 -2.727280047e-01 4.52 -2.607894549e-01 -2.607894549e-01 4.54 -2.492624642e-01 -2.492624642e-01 4.56 -2.381084569e-01 -2.381084569e-01 4.58 -2.272910262e-01 -2.272910262e-01 4.60 -2.167767389e-01 -2.167767389e-01 4.62 -2.065358084e-01 -2.065358084e-01 4.64 -1.965426219e-01 -1.965426219e-01 4.66 -1.867761129e-01 -1.867761129e-01 4.68 -1.772199714e-01 -1.772199714e-01 4.70 -1.678626887e-01 -1.678626887e-01 4.72 -1.586974355e-01 -1.586974355e-01 4.74 -1.497217843e-01 -1.497217843e-01 4.76 -1.409372961e-01 -1.409372961e-01 4.78 -1.323490038e-01 -1.323490038e-01 4.80 -1.239648352e-01 -1.239648352e-01 4.82 -1.157950272e-01 -1.157950272e-01 4.84 -1.078515555e-01 -1.078515555e-01 4.86 -1.001476340e-01 -1.001476340e-01 4.88 -9.269727595e-02 -9.269727595e-02 4.90 -8.551491332e-02 -8.551491332e-02 4.92 -7.861504597e-02 -7.861504597e-02 4.94 -7.201165686e-02 -7.201165686e-02 4.96 -6.571813193e-02 -6.571813193e-02 4.98 -5.974714792e-02 -5.974714792e-02 5.00 -5.410964209e-02 -5.410964209e-02 5.02 -4.881431465e-02 -4.881431465e-02 5.04 -4.386714312e-02 -4.386714312e-02 5.06 -3.927095997e-02 -3.927095997e-02 5.08 -3.502515064e-02 -3.502515064e-02 5.10 -3.112550640e-02 -3.112550640e-02 5.12 -2.756426269e-02 -2.756426269e-02 5.14 -2.433031089e-02 -2.433031089e-02 5.16 -2.140956985e-02 -2.140956985e-02 5.18 -1.878548348e-02 -1.878548348e-02 5.20 -1.643957295e-02 -1.643957295e-02 5.22 -1.435180412e-02 -1.435180412e-02 5.24 -1.250182728e-02 -1.250182728e-02 5.26 -1.086917278e-02 -1.086917278e-02 5.28 -9.433584956e-03 -9.433584956e-03 5.30 -8.175432858e-03 -8.175432858e-03 5.32 -7.076023592e-03 -7.076023592e-03 5.34 -6.117823767e-03 -6.117823767e-03 5.36 -5.284599103e-03 -5.284599103e-03 5.38 -4.561484955e-03 -4.561484955e-03 5.40 -3.935001254e-03 -3.935001254e-03 5.42 -3.393024893e-03 -3.393024893e-03 5.44 -2.924731294e-03 -2.924731294e-03 5.46 -2.520515192e-03 -2.520515192e-03 5.48 -2.171898852e-03 -2.171898852e-03 5.50 -1.871434166e-03 -1.871434166e-03 5.52 -1.612603499e-03 -1.612603499e-03 5.54 -1.389722783e-03 -1.389722783e-03 5.56 -1.197849262e-03 -1.197849262e-03 5.58 -1.032695383e-03 -1.032695383e-03 5.60 -8.905496804e-04 -8.905496804e-04 5.62 -7.682049895e-04 -7.682049895e-04 5.64 -6.628939571e-04 -6.628939571e-04 5.66 -5.722315973e-04 -5.722315973e-04 5.68 -4.941644691e-04 -4.941644691e-04 5.70 -4.269259701e-04 -4.269259701e-04 5.72 -3.689971983e-04 -3.689971983e-04 5.74 -3.190728243e-04 -3.190728243e-04 5.76 -2.760314317e-04 -2.760314317e-04 5.78 -2.389098139e-04 -2.389098139e-04 5.80 -2.068807502e-04 -2.068807502e-04 5.82 -1.792338288e-04 -1.792338288e-04 5.84 -1.553589240e-04 -1.553589240e-04 5.86 -1.347319805e-04 -1.347319805e-04 5.88 -1.169027947e-04 -1.169027947e-04 5.90 -1.014845225e-04 -1.014845225e-04 5.92 -8.814467423e-05 -8.814467423e-05 5.94 -7.659739162e-05 -7.659739162e-05 5.96 -6.659682553e-05 -6.659682553e-05 5.98 -5.793145965e-05 -5.793145965e-05 6.00 -5.041924558e-05 -5.041924558e-05