# 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 = MgNiPd2 # 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 2.777059535e+02 2.777059535e+02 1.30 2.568153736e+02 2.568153736e+02 1.32 2.374890727e+02 2.374890727e+02 1.34 2.196035099e+02 2.196035099e+02 1.36 2.030459491e+02 2.030459491e+02 1.38 1.877118598e+02 1.877118598e+02 1.40 1.735037291e+02 1.735037291e+02 1.42 1.603311342e+02 1.603311342e+02 1.44 1.481115139e+02 1.481115139e+02 1.46 1.367707402e+02 1.367707402e+02 1.48 1.262426758e+02 1.262426758e+02 1.50 1.164677862e+02 1.164677862e+02 1.52 1.073914481e+02 1.073914481e+02 1.54 9.896251205e+01 9.896251205e+01 1.56 9.113244108e+01 9.113244108e+01 1.58 8.385507988e+01 8.385507988e+01 1.60 7.708696767e+01 7.708696767e+01 1.62 7.078920418e+01 7.078920418e+01 1.64 6.495304327e+01 6.495304327e+01 1.66 5.955430788e+01 5.955430788e+01 1.68 5.456047466e+01 5.456047466e+01 1.70 4.994216021e+01 4.994216021e+01 1.72 4.567217084e+01 4.567217084e+01 1.74 4.172498847e+01 4.172498847e+01 1.76 3.807668656e+01 3.807668656e+01 1.78 3.470508632e+01 3.470508632e+01 1.80 3.158986347e+01 3.158986347e+01 1.82 2.871244004e+01 2.871244004e+01 1.84 2.605570142e+01 2.605570142e+01 1.86 2.360366911e+01 2.360366911e+01 1.88 2.134123918e+01 2.134123918e+01 1.90 1.925406493e+01 1.925406493e+01 1.92 1.732860455e+01 1.732860455e+01 1.94 1.555226886e+01 1.555226886e+01 1.96 1.391355564e+01 1.391355564e+01 1.98 1.240207526e+01 1.240207526e+01 2.00 1.100845690e+01 1.100845690e+01 2.02 9.724186311e+00 9.724186311e+00 2.04 8.541440549e+00 8.541440549e+00 2.06 7.452960284e+00 7.452960284e+00 2.08 6.451970185e+00 6.451970185e+00 2.10 5.532139929e+00 5.532139929e+00 2.12 4.687568194e+00 4.687568194e+00 2.14 3.912774621e+00 3.912774621e+00 2.16 3.202687502e+00 3.202687502e+00 2.18 2.552621060e+00 2.552621060e+00 2.20 1.958245379e+00 1.958245379e+00 2.22 1.415552662e+00 1.415552662e+00 2.24 9.208281273e-01 9.208281273e-01 2.26 4.706270348e-01 4.706270348e-01 2.28 6.175326470e-02 6.175326470e-02 2.30 -3.087649770e-01 -3.087649770e-01 2.32 -6.437095657e-01 -6.437095657e-01 2.34 -9.457073539e-01 -9.457073539e-01 2.36 -1.217259596e+00 -1.217259596e+00 2.38 -1.460755811e+00 -1.460755811e+00 2.40 -1.678474119e+00 -1.678474119e+00 2.42 -1.872576409e+00 -1.872576409e+00 2.44 -2.045105698e+00 -2.045105698e+00 2.46 -2.197987694e+00 -2.197987694e+00 2.48 -2.333031615e+00 -2.333031615e+00 2.50 -2.451927200e+00 -2.451927200e+00 2.52 -2.556282240e+00 -2.556282240e+00 2.54 -2.648161783e+00 -2.648161783e+00 2.56 -2.728644393e+00 -2.728644393e+00 2.58 -2.798416478e+00 -2.798416478e+00 2.60 -2.858028519e+00 -2.858028519e+00 2.62 -2.907864331e+00 -2.907864331e+00 2.64 -2.948292106e+00 -2.948292106e+00 2.66 -2.979693288e+00 -2.979693288e+00 2.68 -3.002475953e+00 -3.002475953e+00 2.70 -3.017137968e+00 -3.017137968e+00 2.72 -3.024245659e+00 -3.024245659e+00 2.74 -3.024367019e+00 -3.024367019e+00 2.76 -3.018065566e+00 -3.018065566e+00 2.78 -3.005893534e+00 -3.005893534e+00 2.80 -2.988385776e+00 -2.988385776e+00 2.82 -2.966055330e+00 -2.966055330e+00 2.84 -2.939394908e+00 -2.939394908e+00 2.86 -2.908881666e+00 -2.908881666e+00 2.88 -2.874983530e+00 -2.874983530e+00 2.90 -2.838163247e+00 -2.838163247e+00 2.92 -2.798877123e+00 -2.798877123e+00 2.94 -2.757567322e+00 -2.757567322e+00 2.96 -2.714649186e+00 -2.714649186e+00 2.98 -2.670497092e+00 -2.670497092e+00 3.00 -2.625432984e+00 -2.625432984e+00 3.02 -2.579720697e+00 -2.579720697e+00 3.04 -2.533566916e+00 -2.533566916e+00 3.06 -2.487128792e+00 -2.487128792e+00 3.08 -2.440522999e+00 -2.440522999e+00 3.10 -2.393837695e+00 -2.393837695e+00 3.12 -2.347142056e+00 -2.347142056e+00 3.14 -2.300494964e+00 -2.300494964e+00 3.16 -2.253949839e+00 -2.253949839e+00 3.18 -2.207573970e+00 -2.207573970e+00 3.20 -2.161408671e+00 -2.161408671e+00 3.22 -2.115487736e+00 -2.115487736e+00 3.24 -2.069848435e+00 -2.069848435e+00 3.26 -2.024530818e+00 -2.024530818e+00 3.28 -1.979576932e+00 -1.979576932e+00 3.30 -1.935029888e+00 -1.935029888e+00 3.32 -1.890932751e+00 -1.890932751e+00 3.34 -1.847324220e+00 -1.847324220e+00 3.36 -1.804219931e+00 -1.804219931e+00 3.38 -1.761627081e+00 -1.761627081e+00 3.40 -1.719554549e+00 -1.719554549e+00 3.42 -1.678011697e+00 -1.678011697e+00 3.44 -1.637007252e+00 -1.637007252e+00 3.46 -1.596548936e+00 -1.596548936e+00 3.48 -1.556643088e+00 -1.556643088e+00 3.50 -1.517294469e+00 -1.517294469e+00 3.52 -1.478506159e+00 -1.478506159e+00 3.54 -1.440279505e+00 -1.440279505e+00 3.56 -1.402614115e+00 -1.402614115e+00 3.58 -1.365507882e+00 -1.365507882e+00 3.60 -1.328957017e+00 -1.328957017e+00 3.62 -1.292956094e+00 -1.292956094e+00 3.64 -1.257498122e+00 -1.257498122e+00 3.66 -1.222574669e+00 -1.222574669e+00 3.68 -1.188176091e+00 -1.188176091e+00 3.70 -1.154291911e+00 -1.154291911e+00 3.72 -1.120911397e+00 -1.120911397e+00 3.74 -1.088024341e+00 -1.088024341e+00 3.76 -1.055622024e+00 -1.055622024e+00 3.78 -1.023698277e+00 -1.023698277e+00 3.80 -9.922505119e-01 -9.922505119e-01 3.82 -9.612805421e-01 -9.612805421e-01 3.84 -9.307950127e-01 -9.307950127e-01 3.86 -9.008052934e-01 -9.008052934e-01 3.88 -8.713267706e-01 -8.713267706e-01 3.90 -8.423776047e-01 -8.423776047e-01 3.92 -8.139770504e-01 -8.139770504e-01 3.94 -7.861442340e-01 -7.861442340e-01 3.96 -7.588961465e-01 -7.588961465e-01 3.98 -7.322472630e-01 -7.322472630e-01 4.00 -7.062092233e-01 -7.062092233e-01 4.02 -6.807912289e-01 -6.807912289e-01 4.04 -6.560008417e-01 -6.560008417e-01 4.06 -6.318448981e-01 -6.318448981e-01 4.08 -6.083302395e-01 -6.083302395e-01 4.10 -5.854637546e-01 -5.854637546e-01 4.12 -5.632532234e-01 -5.632532234e-01 4.14 -5.417047664e-01 -5.417047664e-01 4.16 -5.208228418e-01 -5.208228418e-01 4.18 -5.006084954e-01 -5.006084954e-01 4.20 -4.810580235e-01 -4.810580235e-01 4.22 -4.621619799e-01 -4.621619799e-01 4.24 -4.439047138e-01 -4.439047138e-01 4.26 -4.262645254e-01 -4.262645254e-01 4.28 -4.092144172e-01 -4.092144172e-01 4.30 -3.927233315e-01 -3.927233315e-01 4.32 -3.767577056e-01 -3.767577056e-01 4.34 -3.612831525e-01 -3.612831525e-01 4.36 -3.462660851e-01 -3.462660851e-01 4.38 -3.316751250e-01 -3.316751250e-01 4.40 -3.174821777e-01 -3.174821777e-01 4.42 -3.036630994e-01 -3.036630994e-01 4.44 -2.901979291e-01 -2.901979291e-01 4.46 -2.770707096e-01 -2.770707096e-01 4.48 -2.642689694e-01 -2.642689694e-01 4.50 -2.517829834e-01 -2.517829834e-01 4.52 -2.396049599e-01 -2.396049599e-01 4.54 -2.277283101e-01 -2.277283101e-01 4.56 -2.161471419e-01 -2.161471419e-01 4.58 -2.048560739e-01 -2.048560739e-01 4.60 -1.938504084e-01 -1.938504084e-01 4.62 -1.831266273e-01 -1.831266273e-01 4.64 -1.726831163e-01 -1.726831163e-01 4.66 -1.625209739e-01 -1.625209739e-01 4.68 -1.526447388e-01 -1.526447388e-01 4.70 -1.430628772e-01 -1.430628772e-01 4.72 -1.337879007e-01 -1.337879007e-01 4.74 -1.248360370e-01 -1.248360370e-01 4.76 -1.162264416e-01 -1.162264416e-01 4.78 -1.079800036e-01 -1.079800036e-01 4.80 -1.001176636e-01 -1.001176636e-01 4.82 -9.265962295e-02 -9.265962295e-02 4.84 -8.562247538e-02 -8.562247538e-02 4.86 -7.901875854e-02 -7.901875854e-02 4.88 -7.285570231e-02 -7.285570231e-02 4.90 -6.713464526e-02 -6.713464526e-02 4.92 -6.185090098e-02 -6.185090098e-02 4.94 -5.699404724e-02 -5.699404724e-02 4.96 -5.254853217e-02 -5.254853217e-02 4.98 -4.849454124e-02 -4.849454124e-02 5.00 -4.480900056e-02 -4.480900056e-02 5.02 -4.146659918e-02 -4.146659918e-02 5.04 -3.844014226e-02 -3.844014226e-02 5.06 -3.570244258e-02 -3.570244258e-02 5.08 -3.322757253e-02 -3.322757253e-02 5.10 -3.099016121e-02 -3.099016121e-02 5.12 -2.896595298e-02 -2.896595298e-02 5.14 -2.713214905e-02 -2.713214905e-02 5.16 -2.546764432e-02 -2.546764432e-02 5.18 -2.395330366e-02 -2.395330366e-02 5.20 -2.257183243e-02 -2.257183243e-02 5.22 -2.130773499e-02 -2.130773499e-02 5.24 -2.014723643e-02 -2.014723643e-02 5.26 -1.907817612e-02 -1.907817612e-02 5.28 -1.808988598e-02 -1.808988598e-02 5.30 -1.717306275e-02 -1.717306275e-02 5.32 -1.631964039e-02 -1.631964039e-02 5.34 -1.552266611e-02 -1.552266611e-02 5.36 -1.477616861e-02 -1.477616861e-02 5.38 -1.407506496e-02 -1.407506496e-02 5.40 -1.341506022e-02 -1.341506022e-02 5.42 -1.279253326e-02 -1.279253326e-02 5.44 -1.220443980e-02 -1.220443980e-02 5.46 -1.164821998e-02 -1.164821998e-02 5.48 -1.112171077e-02 -1.112171077e-02 5.50 -1.062306425e-02 -1.062306425e-02 5.52 -1.015067319e-02 -1.015067319e-02 5.54 -9.703105596e-03 -9.703105596e-03 5.56 -9.279049634e-03 -9.279049634e-03 5.58 -8.877269936e-03 -8.877269936e-03 5.60 -8.496575479e-03 -8.496575479e-03 5.62 -8.135798524e-03 -8.135798524e-03 5.64 -7.793783292e-03 -7.793783292e-03 5.66 -7.469382547e-03 -7.469382547e-03 5.68 -7.161459994e-03 -7.161459994e-03 5.70 -6.868896360e-03 -6.868896360e-03 5.72 -6.590597309e-03 -6.590597309e-03 5.74 -6.325501640e-03 -6.325501640e-03 5.76 -6.072588721e-03 -6.072588721e-03 5.78 -5.830884479e-03 -5.830884479e-03 5.80 -5.599465666e-03 -5.599465666e-03 5.82 -5.377462388e-03 -5.377462388e-03 5.84 -5.164059092e-03 -5.164059092e-03 5.86 -4.958494318e-03 -4.958494318e-03 5.88 -4.760059568e-03 -4.760059568e-03 5.90 -4.568097659e-03 -4.568097659e-03 5.92 -4.382000908e-03 -4.382000908e-03 5.94 -4.201209436e-03 -4.201209436e-03 5.96 -4.025209848e-03 -4.025209848e-03 5.98 -3.853534470e-03 -3.853534470e-03 6.00 -3.685761277e-03 -3.685761277e-03