# 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 = AgPd2Zr # 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 3.558457262e+02 3.558457262e+02 1.30 3.308073298e+02 3.308073298e+02 1.32 3.075739554e+02 3.075739554e+02 1.34 2.860025126e+02 2.860025126e+02 1.36 2.659620481e+02 2.659620481e+02 1.38 2.473327459e+02 2.473327459e+02 1.40 2.300049926e+02 2.300049926e+02 1.42 2.138788618e+02 2.138788618e+02 1.44 1.988639763e+02 1.988639763e+02 1.46 1.848789111e+02 1.848789111e+02 1.48 1.718497739e+02 1.718497739e+02 1.50 1.597086230e+02 1.597086230e+02 1.52 1.483923270e+02 1.483923270e+02 1.54 1.378417849e+02 1.378417849e+02 1.56 1.280014614e+02 1.280014614e+02 1.58 1.188190419e+02 1.188190419e+02 1.60 1.102454524e+02 1.102454524e+02 1.62 1.022352065e+02 1.022352065e+02 1.64 9.474692209e+01 9.474692209e+01 1.66 8.774348064e+01 8.774348064e+01 1.68 8.119169450e+01 8.119169450e+01 1.70 7.506151851e+01 7.506151851e+01 1.72 6.932509914e+01 6.932509914e+01 1.74 6.395604510e+01 6.395604510e+01 1.76 5.892918683e+01 5.892918683e+01 1.78 5.422116818e+01 5.422116818e+01 1.80 4.981022104e+01 4.981022104e+01 1.82 4.567823148e+01 4.567823148e+01 1.84 4.183087877e+01 4.183087877e+01 1.86 3.825609414e+01 3.825609414e+01 1.88 3.493558745e+01 3.493558745e+01 1.90 3.185213993e+01 3.185213993e+01 1.92 2.898942097e+01 2.898942097e+01 1.94 2.633200833e+01 2.633200833e+01 1.96 2.386555747e+01 2.386555747e+01 1.98 2.157687629e+01 2.157687629e+01 2.00 1.945386951e+01 1.945386951e+01 2.02 1.748537654e+01 1.748537654e+01 2.04 1.566099335e+01 1.566099335e+01 2.06 1.397094084e+01 1.397094084e+01 2.08 1.240599230e+01 1.240599230e+01 2.10 1.095745692e+01 1.095745692e+01 2.12 9.617163323e+00 9.617163323e+00 2.14 8.377455992e+00 8.377455992e+00 2.16 7.231186301e+00 7.231186301e+00 2.18 6.171700739e+00 6.171700739e+00 2.20 5.192838372e+00 5.192838372e+00 2.22 4.288911615e+00 4.288911615e+00 2.24 3.454687601e+00 3.454687601e+00 2.26 2.685367806e+00 2.685367806e+00 2.28 1.976558761e+00 1.976558761e+00 2.30 1.324254572e+00 1.324254572e+00 2.32 7.247879087e-01 7.247879087e-01 2.34 1.747816271e-01 1.747816271e-01 2.36 -3.289102718e-01 -3.289102718e-01 2.38 -7.892578248e-01 -7.892578248e-01 2.40 -1.209100754e+00 -1.209100754e+00 2.42 -1.591185381e+00 -1.591185381e+00 2.44 -1.938179933e+00 -1.938179933e+00 2.46 -2.252683219e+00 -2.252683219e+00 2.48 -2.537213332e+00 -2.537213332e+00 2.50 -2.794192020e+00 -2.794192020e+00 2.52 -3.025962997e+00 -3.025962997e+00 2.54 -3.234568377e+00 -3.234568377e+00 2.56 -3.421844465e+00 -3.421844465e+00 2.58 -3.589447589e+00 -3.589447589e+00 2.60 -3.738859063e+00 -3.738859063e+00 2.62 -3.871402629e+00 -3.871402629e+00 2.64 -3.988275545e+00 -3.988275545e+00 2.66 -4.090533967e+00 -4.090533967e+00 2.68 -4.179018006e+00 -4.179018006e+00 2.70 -4.254496092e+00 -4.254496092e+00 2.72 -4.317716528e+00 -4.317716528e+00 2.74 -4.369406441e+00 -4.369406441e+00 2.76 -4.410270906e+00 -4.410270906e+00 2.78 -4.440990540e+00 -4.440990540e+00 2.80 -4.462229139e+00 -4.462229139e+00 2.82 -4.474622952e+00 -4.474622952e+00 2.84 -4.478792600e+00 -4.478792600e+00 2.86 -4.475345207e+00 -4.475345207e+00 2.88 -4.465250353e+00 -4.465250353e+00 2.90 -4.449327663e+00 -4.449327663e+00 2.92 -4.427891799e+00 -4.427891799e+00 2.94 -4.401291382e+00 -4.401291382e+00 2.96 -4.369896252e+00 -4.369896252e+00 2.98 -4.334083354e+00 -4.334083354e+00 3.00 -4.294223815e+00 -4.294223815e+00 3.02 -4.250672989e+00 -4.250672989e+00 3.04 -4.203762741e+00 -4.203762741e+00 3.06 -4.153863304e+00 -4.153863304e+00 3.08 -4.101379743e+00 -4.101379743e+00 3.10 -4.046549201e+00 -4.046549201e+00 3.12 -3.989582589e+00 -3.989582589e+00 3.14 -3.930685398e+00 -3.930685398e+00 3.16 -3.870044419e+00 -3.870044419e+00 3.18 -3.807841351e+00 -3.807841351e+00 3.20 -3.744252070e+00 -3.744252070e+00 3.22 -3.679449286e+00 -3.679449286e+00 3.24 -3.613608105e+00 -3.613608105e+00 3.26 -3.546910671e+00 -3.546910671e+00 3.28 -3.479542376e+00 -3.479542376e+00 3.30 -3.411691393e+00 -3.411691393e+00 3.32 -3.343546245e+00 -3.343546245e+00 3.34 -3.275290877e+00 -3.275290877e+00 3.36 -3.207098394e+00 -3.207098394e+00 3.38 -3.139125182e+00 -3.139125182e+00 3.40 -3.071505911e+00 -3.071505911e+00 3.42 -3.004356672e+00 -3.004356672e+00 3.44 -2.937769231e+00 -2.937769231e+00 3.46 -2.871818875e+00 -2.871818875e+00 3.48 -2.806566518e+00 -2.806566518e+00 3.50 -2.742061839e+00 -2.742061839e+00 3.52 -2.678345636e+00 -2.678345636e+00 3.54 -2.615451279e+00 -2.615451279e+00 3.56 -2.553405391e+00 -2.553405391e+00 3.58 -2.492227994e+00 -2.492227994e+00 3.60 -2.431932377e+00 -2.431932377e+00 3.62 -2.372524927e+00 -2.372524927e+00 3.64 -2.314005105e+00 -2.314005105e+00 3.66 -2.256365711e+00 -2.256365711e+00 3.68 -2.199593548e+00 -2.199593548e+00 3.70 -2.143670550e+00 -2.143670550e+00 3.72 -2.088575404e+00 -2.088575404e+00 3.74 -2.034285618e+00 -2.034285618e+00 3.76 -1.980779936e+00 -1.980779936e+00 3.78 -1.928040877e+00 -1.928040877e+00 3.80 -1.876057110e+00 -1.876057110e+00 3.82 -1.824825305e+00 -1.824825305e+00 3.84 -1.774351076e+00 -1.774351076e+00 3.86 -1.724648780e+00 -1.724648780e+00 3.88 -1.675740053e+00 -1.675740053e+00 3.90 -1.627651315e+00 -1.627651315e+00 3.92 -1.580409337e+00 -1.580409337e+00 3.94 -1.534043755e+00 -1.534043755e+00 3.96 -1.488575802e+00 -1.488575802e+00 3.98 -1.444023177e+00 -1.444023177e+00 4.00 -1.400398227e+00 -1.400398227e+00 4.02 -1.357708847e+00 -1.357708847e+00 4.04 -1.315960035e+00 -1.315960035e+00 4.06 -1.275155634e+00 -1.275155634e+00 4.08 -1.235299820e+00 -1.235299820e+00 4.10 -1.196394177e+00 -1.196394177e+00 4.12 -1.158453959e+00 -1.158453959e+00 4.14 -1.121482218e+00 -1.121482218e+00 4.16 -1.085486625e+00 -1.085486625e+00 4.18 -1.050473365e+00 -1.050473365e+00 4.20 -1.016445764e+00 -1.016445764e+00 4.22 -9.834031390e-01 -9.834031390e-01 4.24 -9.513400240e-01 -9.513400240e-01 4.26 -9.202458363e-01 -9.202458363e-01 4.28 -8.901049495e-01 -8.901049495e-01 4.30 -8.608970665e-01 -8.608970665e-01 4.32 -8.325977566e-01 -8.325977566e-01 4.34 -8.051790357e-01 -8.051790357e-01 4.36 -7.786099021e-01 -7.786099021e-01 4.38 -7.528567945e-01 -7.528567945e-01 4.40 -7.278839849e-01 -7.278839849e-01 4.42 -7.036539462e-01 -7.036539462e-01 4.44 -6.801277514e-01 -6.801277514e-01 4.46 -6.572655481e-01 -6.572655481e-01 4.48 -6.350271388e-01 -6.350271388e-01 4.50 -6.133726769e-01 -6.133726769e-01 4.52 -5.922634644e-01 -5.922634644e-01 4.54 -5.716628298e-01 -5.716628298e-01 4.56 -5.515370503e-01 -5.515370503e-01 4.58 -5.318562785e-01 -5.318562785e-01 4.60 -5.125954270e-01 -5.125954270e-01 4.62 -4.937349611e-01 -4.937349611e-01 4.64 -4.752615397e-01 -4.752615397e-01 4.66 -4.571684424e-01 -4.571684424e-01 4.68 -4.394557187e-01 -4.394557187e-01 4.70 -4.221300040e-01 -4.221300040e-01 4.72 -4.052039638e-01 -4.052039638e-01 4.74 -3.886953589e-01 -3.886953589e-01 4.76 -3.726257625e-01 -3.726257625e-01 4.78 -3.570190069e-01 -3.570190069e-01 4.80 -3.418963277e-01 -3.418963277e-01 4.82 -3.272877559e-01 -3.272877559e-01 4.84 -3.132099711e-01 -3.132099711e-01 4.86 -2.996793721e-01 -2.996793721e-01 4.88 -2.867073494e-01 -2.867073494e-01 4.90 -2.742997688e-01 -2.742997688e-01 4.92 -2.624568675e-01 -2.624568675e-01 4.94 -2.511735112e-01 -2.511735112e-01 4.96 -2.404397203e-01 -2.404397203e-01 4.98 -2.302413658e-01 -2.302413658e-01 5.00 -2.205609372e-01 -2.205609372e-01 5.02 -2.113782968e-01 -2.113782968e-01 5.04 -2.026712283e-01 -2.026712283e-01 5.06 -1.944162210e-01 -1.944162210e-01 5.08 -1.865891813e-01 -1.865891813e-01 5.10 -1.791654678e-01 -1.791654678e-01 5.12 -1.721202485e-01 -1.721202485e-01 5.14 -1.654288000e-01 -1.654288000e-01 5.16 -1.590667647e-01 -1.590667647e-01 5.18 -1.530103835e-01 -1.530103835e-01 5.20 -1.472367119e-01 -1.472367119e-01 5.22 -1.417238260e-01 -1.417238260e-01 5.24 -1.364510163e-01 -1.364510163e-01 5.26 -1.313989692e-01 -1.313989692e-01 5.28 -1.265499308e-01 -1.265499308e-01 5.30 -1.218878486e-01 -1.218878486e-01 5.32 -1.173984866e-01 -1.173984866e-01 5.34 -1.130695056e-01 -1.130695056e-01 5.36 -1.088905037e-01 -1.088905037e-01 5.38 -1.048530083e-01 -1.048530083e-01 5.40 -1.009504112e-01 -1.009504112e-01 5.42 -9.717784435e-02 -9.717784435e-02 5.44 -9.353199064e-02 -9.353199064e-02 5.46 -9.001083516e-02 -9.001083516e-02 5.48 -8.661336485e-02 -8.661336485e-02 5.50 -8.333923262e-02 -8.333923262e-02 5.52 -8.018840892e-02 -8.018840892e-02 5.54 -7.716084383e-02 -7.716084383e-02 5.56 -7.425616492e-02 -7.425616492e-02 5.58 -7.147343225e-02 -7.147343225e-02 5.60 -6.881086698e-02 -6.881086698e-02 5.62 -6.626584539e-02 -6.626584539e-02 5.64 -6.383511904e-02 -6.383511904e-02 5.66 -6.151459098e-02 -6.151459098e-02 5.68 -5.929941634e-02 -5.929941634e-02 5.70 -5.718414325e-02 -5.718414325e-02 5.72 -5.516286948e-02 -5.516286948e-02 5.74 -5.322939955e-02 -5.322939955e-02 5.76 -5.137739061e-02 -5.137739061e-02 5.78 -4.960047947e-02 -4.960047947e-02 5.80 -4.789238699e-02 -4.789238699e-02 5.82 -4.624699889e-02 -4.624699889e-02 5.84 -4.465842466e-02 -4.465842466e-02 5.86 -4.312103736e-02 -4.312103736e-02 5.88 -4.162949827e-02 -4.162949827e-02 5.90 -4.017877035e-02 -4.017877035e-02 5.92 -3.876412445e-02 -3.876412445e-02 5.94 -3.738114200e-02 -3.738114200e-02 5.96 -3.602571733e-02 -3.602571733e-02 5.98 -3.469406228e-02 -3.469406228e-02 6.00 -3.338271381e-02 -3.338271381e-02