# 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 = Mg2PbPd # 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 3.707079145e+02 3.707079145e+02 1.30 3.443804783e+02 3.443804783e+02 1.32 3.199780060e+02 3.199780060e+02 1.34 2.973475074e+02 2.973475074e+02 1.36 2.763491994e+02 2.763491994e+02 1.38 2.568549931e+02 2.568549931e+02 1.40 2.387473773e+02 2.387473773e+02 1.42 2.219188047e+02 2.219188047e+02 1.44 2.062713348e+02 2.062713348e+02 1.46 1.917160040e+02 1.917160040e+02 1.48 1.781717341e+02 1.781717341e+02 1.50 1.655641764e+02 1.655641764e+02 1.52 1.538248462e+02 1.538248462e+02 1.54 1.428905101e+02 1.428905101e+02 1.56 1.327026201e+02 1.327026201e+02 1.58 1.232067913e+02 1.232067913e+02 1.60 1.143524549e+02 1.143524549e+02 1.62 1.060928534e+02 1.060928534e+02 1.64 9.839979506e+01 9.839979506e+01 1.66 9.124525734e+01 9.124525734e+01 1.68 8.459064218e+01 8.459064218e+01 1.70 7.840077263e+01 7.840077263e+01 1.72 7.264310926e+01 7.264310926e+01 1.74 6.728729163e+01 6.728729163e+01 1.76 6.230491444e+01 6.230491444e+01 1.78 5.766947815e+01 5.766947815e+01 1.80 5.335639343e+01 5.335639343e+01 1.82 4.934296859e+01 4.934296859e+01 1.84 4.560832074e+01 4.560832074e+01 1.86 4.213320294e+01 4.213320294e+01 1.88 3.889976734e+01 3.889976734e+01 1.90 3.589133872e+01 3.589133872e+01 1.92 3.309227964e+01 3.309227964e+01 1.94 3.048797135e+01 3.048797135e+01 1.96 2.806483144e+01 2.806483144e+01 1.98 2.581030642e+01 2.581030642e+01 2.00 2.371280480e+01 2.371280480e+01 2.02 2.176159462e+01 2.176159462e+01 2.04 1.994670412e+01 1.994670412e+01 2.06 1.825884937e+01 1.825884937e+01 2.08 1.668938838e+01 1.668938838e+01 2.10 1.523028875e+01 1.523028875e+01 2.12 1.387409620e+01 1.387409620e+01 2.14 1.261389327e+01 1.261389327e+01 2.16 1.144325551e+01 1.144325551e+01 2.18 1.035620684e+01 1.035620684e+01 2.20 9.347179724e+00 9.347179724e+00 2.22 8.410981363e+00 8.410981363e+00 2.24 7.542768002e+00 7.542768002e+00 2.26 6.738026054e+00 6.738026054e+00 2.28 5.992551852e+00 5.992551852e+00 2.30 5.302436551e+00 5.302436551e+00 2.32 4.664032417e+00 4.664032417e+00 2.34 4.073929743e+00 4.073929743e+00 2.36 3.528920168e+00 3.528920168e+00 2.38 3.025969884e+00 3.025969884e+00 2.40 2.562197788e+00 2.562197788e+00 2.42 2.134860293e+00 2.134860293e+00 2.44 1.741345017e+00 1.741345017e+00 2.46 1.379169999e+00 1.379169999e+00 2.48 1.045990275e+00 1.045990275e+00 2.50 7.396093635e-01 7.396093635e-01 2.52 4.579929391e-01 4.579929391e-01 2.54 1.992802290e-01 1.992802290e-01 2.56 -3.821170711e-02 -3.821170711e-02 2.58 -2.562177998e-01 -2.562177998e-01 2.60 -4.562081898e-01 -4.562081898e-01 2.62 -6.392367580e-01 -6.392367580e-01 2.64 -8.062876430e-01 -8.062876430e-01 2.66 -9.582861862e-01 -9.582861862e-01 2.68 -1.096114799e+00 -1.096114799e+00 2.70 -1.220619178e+00 -1.220619178e+00 2.72 -1.332611706e+00 -1.332611706e+00 2.74 -1.432879197e+00 -1.432879197e+00 2.76 -1.522211228e+00 -1.522211228e+00 2.78 -1.601368520e+00 -1.601368520e+00 2.80 -1.671071622e+00 -1.671071622e+00 2.82 -1.732001581e+00 -1.732001581e+00 2.84 -1.784806757e+00 -1.784806757e+00 2.86 -1.830107159e+00 -1.830107159e+00 2.88 -1.868498652e+00 -1.868498652e+00 2.90 -1.900555275e+00 -1.900555275e+00 2.92 -1.926828814e+00 -1.926828814e+00 2.94 -1.947845532e+00 -1.947845532e+00 2.96 -1.964100884e+00 -1.964100884e+00 2.98 -1.976053818e+00 -1.976053818e+00 3.00 -1.984122470e+00 -1.984122470e+00 3.02 -1.988682521e+00 -1.988682521e+00 3.04 -1.990094377e+00 -1.990094377e+00 3.06 -1.988658934e+00 -1.988658934e+00 3.08 -1.984604741e+00 -1.984604741e+00 3.10 -1.978144024e+00 -1.978144024e+00 3.12 -1.969474195e+00 -1.969474195e+00 3.14 -1.958784067e+00 -1.958784067e+00 3.16 -1.946250324e+00 -1.946250324e+00 3.18 -1.932042346e+00 -1.932042346e+00 3.20 -1.916319505e+00 -1.916319505e+00 3.22 -1.899224180e+00 -1.899224180e+00 3.24 -1.880889970e+00 -1.880889970e+00 3.26 -1.861474562e+00 -1.861474562e+00 3.28 -1.841088214e+00 -1.841088214e+00 3.30 -1.819815979e+00 -1.819815979e+00 3.32 -1.797742717e+00 -1.797742717e+00 3.34 -1.774951696e+00 -1.774951696e+00 3.36 -1.751523209e+00 -1.751523209e+00 3.38 -1.727533446e+00 -1.727533446e+00 3.40 -1.703053562e+00 -1.703053562e+00 3.42 -1.678150111e+00 -1.678150111e+00 3.44 -1.652865636e+00 -1.652865636e+00 3.46 -1.627208896e+00 -1.627208896e+00 3.48 -1.601191805e+00 -1.601191805e+00 3.50 -1.574832028e+00 -1.574832028e+00 3.52 -1.548151903e+00 -1.548151903e+00 3.54 -1.521177477e+00 -1.521177477e+00 3.56 -1.493937679e+00 -1.493937679e+00 3.58 -1.466463659e+00 -1.466463659e+00 3.60 -1.438788303e+00 -1.438788303e+00 3.62 -1.410945901e+00 -1.410945901e+00 3.64 -1.382971949e+00 -1.382971949e+00 3.66 -1.354903014e+00 -1.354903014e+00 3.68 -1.326776590e+00 -1.326776590e+00 3.70 -1.298630874e+00 -1.298630874e+00 3.72 -1.270504408e+00 -1.270504408e+00 3.74 -1.242435565e+00 -1.242435565e+00 3.76 -1.214461905e+00 -1.214461905e+00 3.78 -1.186619475e+00 -1.186619475e+00 3.80 -1.158942137e+00 -1.158942137e+00 3.82 -1.131461016e+00 -1.131461016e+00 3.84 -1.104204127e+00 -1.104204127e+00 3.86 -1.077196202e+00 -1.077196202e+00 3.88 -1.050458695e+00 -1.050458695e+00 3.90 -1.024009969e+00 -1.024009969e+00 3.92 -9.978651177e-01 -9.978651177e-01 3.94 -9.720385281e-01 -9.720385281e-01 3.96 -9.465412003e-01 -9.465412003e-01 3.98 -9.213838218e-01 -9.213838218e-01 4.00 -8.965769852e-01 -8.965769852e-01 4.02 -8.721320335e-01 -8.721320335e-01 4.04 -8.480618029e-01 -8.480618029e-01 4.06 -8.243811474e-01 -8.243811474e-01 4.08 -8.011071368e-01 -8.011071368e-01 4.10 -7.782572900e-01 -7.782572900e-01 4.12 -7.558555138e-01 -7.558555138e-01 4.14 -7.339207949e-01 -7.339207949e-01 4.16 -7.124732006e-01 -7.124732006e-01 4.18 -6.915306012e-01 -6.915306012e-01 4.20 -6.711073895e-01 -6.711073895e-01 4.22 -6.512134414e-01 -6.512134414e-01 4.24 -6.318534404e-01 -6.318534404e-01 4.26 -6.130266225e-01 -6.130266225e-01 4.28 -5.947269324e-01 -5.947269324e-01 4.30 -5.769435219e-01 -5.769435219e-01 4.32 -5.596614862e-01 -5.596614862e-01 4.34 -5.428627277e-01 -5.428627277e-01 4.36 -5.265268417e-01 -5.265268417e-01 4.38 -5.106319481e-01 -5.106319481e-01 4.40 -4.951554199e-01 -4.951554199e-01 4.42 -4.800744874e-01 -4.800744874e-01 4.44 -4.653667216e-01 -4.653667216e-01 4.46 -4.510104129e-01 -4.510104129e-01 4.48 -4.369848729e-01 -4.369848729e-01 4.50 -4.232706865e-01 -4.232706865e-01 4.52 -4.098499427e-01 -4.098499427e-01 4.54 -3.967064647e-01 -3.967064647e-01 4.56 -3.838260546e-01 -3.838260546e-01 4.58 -3.711967548e-01 -3.711967548e-01 4.60 -3.588091235e-01 -3.588091235e-01 4.62 -3.466565029e-01 -3.466565029e-01 4.64 -3.347352572e-01 -3.347352572e-01 4.66 -3.230449394e-01 -3.230449394e-01 4.68 -3.115883507e-01 -3.115883507e-01 4.70 -3.003714498e-01 -3.003714498e-01 4.72 -2.894030815e-01 -2.894030815e-01 4.74 -2.786945081e-01 -2.786945081e-01 4.76 -2.682587497e-01 -2.682587497e-01 4.78 -2.581097638e-01 -2.581097638e-01 4.80 -2.482603831e-01 -2.482603831e-01 4.82 -2.387261006e-01 -2.387261006e-01 4.84 -2.295167520e-01 -2.295167520e-01 4.86 -2.206409312e-01 -2.206409312e-01 4.88 -2.121040633e-01 -2.121040633e-01 4.90 -2.039080784e-01 -2.039080784e-01 4.92 -1.960513317e-01 -1.960513317e-01 4.94 -1.885287544e-01 -1.885287544e-01 4.96 -1.813321931e-01 -1.813321931e-01 4.98 -1.744508869e-01 -1.744508869e-01 5.00 -1.678720236e-01 -1.678720236e-01 5.02 -1.615813228e-01 -1.615813228e-01 5.04 -1.555636021e-01 -1.555636021e-01 5.06 -1.498032934e-01 -1.498032934e-01 5.08 -1.442848900e-01 -1.442848900e-01 5.10 -1.389933135e-01 -1.389933135e-01 5.12 -1.339141998e-01 -1.339141998e-01 5.14 -1.290341069e-01 -1.290341069e-01 5.16 -1.243406520e-01 -1.243406520e-01 5.18 -1.198225875e-01 -1.198225875e-01 5.20 -1.154698236e-01 -1.154698236e-01 5.22 -1.112734071e-01 -1.112734071e-01 5.24 -1.072254646e-01 -1.072254646e-01 5.26 -1.033191187e-01 -1.033191187e-01 5.28 -9.954838381e-02 -9.954838381e-02 5.30 -9.590805098e-02 -9.590805098e-02 5.32 -9.239356648e-02 -9.239356648e-02 5.34 -8.900091026e-02 -8.900091026e-02 5.36 -8.572648144e-02 -8.572648144e-02 5.38 -8.256699191e-02 -8.256699191e-02 5.40 -7.951937004e-02 -7.951937004e-02 5.42 -7.658067534e-02 -7.658067534e-02 5.44 -7.374802289e-02 -7.374802289e-02 5.46 -7.101851676e-02 -7.101851676e-02 5.48 -6.838919150e-02 -6.838919150e-02 5.50 -6.585696328e-02 -6.585696328e-02 5.52 -6.341858881e-02 -6.341858881e-02 5.54 -6.107063603e-02 -6.107063603e-02 5.56 -5.880946819e-02 -5.880946819e-02 5.58 -5.663124247e-02 -5.663124247e-02 5.60 -5.453192376e-02 -5.453192376e-02 5.62 -5.250731274e-02 -5.250731274e-02 5.64 -5.055308763e-02 -5.055308763e-02 5.66 -4.866484966e-02 -4.866484966e-02 5.68 -4.683817932e-02 -4.683817932e-02 5.70 -4.506869413e-02 -4.506869413e-02 5.72 -4.335210487e-02 -4.335210487e-02 5.74 -4.168426802e-02 -4.168426802e-02 5.76 -4.006118590e-02 -4.006118590e-02 5.78 -3.847912358e-02 -3.847912358e-02 5.80 -3.693465454e-02 -3.693465454e-02 5.82 -3.542467342e-02 -3.542467342e-02 5.84 -3.394641319e-02 -3.394641319e-02 5.86 -3.249747065e-02 -3.249747065e-02 5.88 -3.107582808e-02 -3.107582808e-02 5.90 -2.967987072e-02 -2.967987072e-02 5.92 -2.830839942e-02 -2.830839942e-02 5.94 -2.696060557e-02 -2.696060557e-02 5.96 -2.563577579e-02 -2.563577579e-02 5.98 -2.433395556e-02 -2.433395556e-02 6.00 -2.305570558e-02 -2.305570558e-02