# 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 = FePtZr2 # 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 3.887120819e+02 3.887120819e+02 1.30 3.618338417e+02 3.618338417e+02 1.32 3.368678231e+02 3.368678231e+02 1.34 3.136685292e+02 3.136685292e+02 1.36 2.921017210e+02 2.921017210e+02 1.38 2.720410900e+02 2.720410900e+02 1.40 2.533664021e+02 2.533664021e+02 1.42 2.359652408e+02 2.359652408e+02 1.44 2.197362731e+02 2.197362731e+02 1.46 2.045904557e+02 2.045904557e+02 1.48 1.904496424e+02 1.904496424e+02 1.50 1.772444504e+02 1.772444504e+02 1.52 1.649122772e+02 1.649122772e+02 1.54 1.533950663e+02 1.533950663e+02 1.56 1.426375112e+02 1.426375112e+02 1.58 1.325859255e+02 1.325859255e+02 1.60 1.231883255e+02 1.231883255e+02 1.62 1.143953095e+02 1.143953095e+02 1.64 1.061614074e+02 1.061614074e+02 1.66 9.844600566e+01 9.844600566e+01 1.68 9.121369876e+01 9.121369876e+01 1.70 8.443386586e+01 8.443386586e+01 1.72 7.807956248e+01 7.807956248e+01 1.74 7.212599919e+01 7.212599919e+01 1.76 6.654915619e+01 6.654915619e+01 1.78 6.132505888e+01 6.132505888e+01 1.80 5.642994881e+01 5.642994881e+01 1.82 5.184085261e+01 5.184085261e+01 1.84 4.753629040e+01 4.753629040e+01 1.86 4.349658663e+01 4.349658663e+01 1.88 3.970369477e+01 3.970369477e+01 1.90 3.614076224e+01 3.614076224e+01 1.92 3.279216142e+01 3.279216142e+01 1.94 2.964362739e+01 2.964362739e+01 1.96 2.668110917e+01 2.668110917e+01 1.98 2.391041149e+01 2.391041149e+01 2.00 2.134853228e+01 2.134853228e+01 2.02 1.898022652e+01 1.898022652e+01 2.04 1.679131979e+01 1.679131979e+01 2.06 1.476902803e+01 1.476902803e+01 2.08 1.290175451e+01 1.290175451e+01 2.10 1.117892258e+01 1.117892258e+01 2.12 9.590727306e+00 9.590727306e+00 2.14 8.127926205e+00 8.127926205e+00 2.16 6.781671806e+00 6.781671806e+00 2.18 5.543451854e+00 5.543451854e+00 2.20 4.405147861e+00 4.405147861e+00 2.22 3.359112739e+00 3.359112739e+00 2.24 2.398248109e+00 2.398248109e+00 2.26 1.516051015e+00 1.516051015e+00 2.28 7.066133616e-01 7.066133616e-01 2.30 -3.537526233e-02 -3.537526233e-02 2.32 -7.146889790e-01 -7.146889790e-01 2.34 -1.335644889e+00 -1.335644889e+00 2.36 -1.902185823e+00 -1.902185823e+00 2.38 -2.417968292e+00 -2.417968292e+00 2.40 -2.886433579e+00 -2.886433579e+00 2.42 -3.310866307e+00 -3.310866307e+00 2.44 -3.694418615e+00 -3.694418615e+00 2.46 -4.040130598e+00 -4.040130598e+00 2.48 -4.350929221e+00 -4.350929221e+00 2.50 -4.629622246e+00 -4.629622246e+00 2.52 -4.878889141e+00 -4.878889141e+00 2.54 -5.101267082e+00 -5.101267082e+00 2.56 -5.299128312e+00 -5.299128312e+00 2.58 -5.474650571e+00 -5.474650571e+00 2.60 -5.629790226e+00 -5.629790226e+00 2.62 -5.766267339e+00 -5.766267339e+00 2.64 -5.885583708e+00 -5.885583708e+00 2.66 -5.989030780e+00 -5.989030780e+00 2.68 -6.077734928e+00 -6.077734928e+00 2.70 -6.152687543e+00 -6.152687543e+00 2.72 -6.214816261e+00 -6.214816261e+00 2.74 -6.264997406e+00 -6.264997406e+00 2.76 -6.303844661e+00 -6.303844661e+00 2.78 -6.331923656e+00 -6.331923656e+00 2.80 -6.349900325e+00 -6.349900325e+00 2.82 -6.359347075e+00 -6.359347075e+00 2.84 -6.360744311e+00 -6.360744311e+00 2.86 -6.354287316e+00 -6.354287316e+00 2.88 -6.340217091e+00 -6.340217091e+00 2.90 -6.318741246e+00 -6.318741246e+00 2.92 -6.289955137e+00 -6.289955137e+00 2.94 -6.254045204e+00 -6.254045204e+00 2.96 -6.211306057e+00 -6.211306057e+00 2.98 -6.162119859e+00 -6.162119859e+00 3.00 -6.106930397e+00 -6.106930397e+00 3.02 -6.046214241e+00 -6.046214241e+00 3.04 -5.980448920e+00 -5.980448920e+00 3.06 -5.910106956e+00 -5.910106956e+00 3.08 -5.835614933e+00 -5.835614933e+00 3.10 -5.757367453e+00 -5.757367453e+00 3.12 -5.675721101e+00 -5.675721101e+00 3.14 -5.591020138e+00 -5.591020138e+00 3.16 -5.503579941e+00 -5.503579941e+00 3.18 -5.413717000e+00 -5.413717000e+00 3.20 -5.321753496e+00 -5.321753496e+00 3.22 -5.228022380e+00 -5.228022380e+00 3.24 -5.132866919e+00 -5.132866919e+00 3.26 -5.036647151e+00 -5.036647151e+00 3.28 -4.939738263e+00 -4.939738263e+00 3.30 -4.842524502e+00 -4.842524502e+00 3.32 -4.745388234e+00 -4.745388234e+00 3.34 -4.648695048e+00 -4.648695048e+00 3.36 -4.552777432e+00 -4.552777432e+00 3.38 -4.457920491e+00 -4.457920491e+00 3.40 -4.364330927e+00 -4.364330927e+00 3.42 -4.272108267e+00 -4.272108267e+00 3.44 -4.181295782e+00 -4.181295782e+00 3.46 -4.091906152e+00 -4.091906152e+00 3.48 -4.003926180e+00 -4.003926180e+00 3.50 -3.917324066e+00 -3.917324066e+00 3.52 -3.832055908e+00 -3.832055908e+00 3.54 -3.748070817e+00 -3.748070817e+00 3.56 -3.665314534e+00 -3.665314534e+00 3.58 -3.583731734e+00 -3.583731734e+00 3.60 -3.503267332e+00 -3.503267332e+00 3.62 -3.423867136e+00 -3.423867136e+00 3.64 -3.345478201e+00 -3.345478201e+00 3.66 -3.268049157e+00 -3.268049157e+00 3.68 -3.191530794e+00 -3.191530794e+00 3.70 -3.115877060e+00 -3.115877060e+00 3.72 -3.041046611e+00 -3.041046611e+00 3.74 -2.967005191e+00 -2.967005191e+00 3.76 -2.893743174e+00 -2.893743174e+00 3.78 -2.821283446e+00 -2.821283446e+00 3.80 -2.749659045e+00 -2.749659045e+00 3.82 -2.678913223e+00 -2.678913223e+00 3.84 -2.609100234e+00 -2.609100234e+00 3.86 -2.540284142e+00 -2.540284142e+00 3.88 -2.472535516e+00 -2.472535516e+00 3.90 -2.405926360e+00 -2.405926360e+00 3.92 -2.340520687e+00 -2.340520687e+00 3.94 -2.276382771e+00 -2.276382771e+00 3.96 -2.213550071e+00 -2.213550071e+00 3.98 -2.152046428e+00 -2.152046428e+00 4.00 -2.091877658e+00 -2.091877658e+00 4.02 -2.033033588e+00 -2.033033588e+00 4.04 -1.975491751e+00 -1.975491751e+00 4.06 -1.919222016e+00 -1.919222016e+00 4.08 -1.864191401e+00 -1.864191401e+00 4.10 -1.810360998e+00 -1.810360998e+00 4.12 -1.757720957e+00 -1.757720957e+00 4.14 -1.706243409e+00 -1.706243409e+00 4.16 -1.655918659e+00 -1.655918659e+00 4.18 -1.606745911e+00 -1.606745911e+00 4.20 -1.558732119e+00 -1.558732119e+00 4.22 -1.511889883e+00 -1.511889883e+00 4.24 -1.466234656e+00 -1.466234656e+00 4.26 -1.421781645e+00 -1.421781645e+00 4.28 -1.378542775e+00 -1.378542775e+00 4.30 -1.336524087e+00 -1.336524087e+00 4.32 -1.295723815e+00 -1.295723815e+00 4.34 -1.256131280e+00 -1.256131280e+00 4.36 -1.217726611e+00 -1.217726611e+00 4.38 -1.180481171e+00 -1.180481171e+00 4.40 -1.144358525e+00 -1.144358525e+00 4.42 -1.109315737e+00 -1.109315737e+00 4.44 -1.075304813e+00 -1.075304813e+00 4.46 -1.042274144e+00 -1.042274144e+00 4.48 -1.010169840e+00 -1.010169840e+00 4.50 -9.789369223e-01 -9.789369223e-01 4.52 -9.485203550e-01 -9.485203550e-01 4.54 -9.188659377e-01 -9.188659377e-01 4.56 -8.899211048e-01 -8.899211048e-01 4.58 -8.616356727e-01 -8.616356727e-01 4.60 -8.339625795e-01 -8.339625795e-01 4.62 -8.068586519e-01 -8.068586519e-01 4.64 -7.802854176e-01 -7.802854176e-01 4.66 -7.542099641e-01 -7.542099641e-01 4.68 -7.286058167e-01 -7.286058167e-01 4.70 -7.034537896e-01 -7.034537896e-01 4.72 -6.787427335e-01 -6.787427335e-01 4.74 -6.544700886e-01 -6.544700886e-01 4.76 -6.306421360e-01 -6.306421360e-01 4.78 -6.072738497e-01 -6.072738497e-01 4.80 -5.843821832e-01 -5.843821832e-01 4.82 -5.620102590e-01 -5.620102590e-01 4.84 -5.401859668e-01 -5.401859668e-01 4.86 -5.189476372e-01 -5.189476372e-01 4.88 -4.983343220e-01 -4.983343220e-01 4.90 -4.783832865e-01 -4.783832865e-01 4.92 -4.591276070e-01 -4.591276070e-01 4.94 -4.405940805e-01 -4.405940805e-01 4.96 -4.228016162e-01 -4.228016162e-01 4.98 -4.057602167e-01 -4.057602167e-01 5.00 -3.894705864e-01 -3.894705864e-01 5.02 -3.739243333e-01 -3.739243333e-01 5.04 -3.591046734e-01 -3.591046734e-01 5.06 -3.449875115e-01 -3.449875115e-01 5.08 -3.315427598e-01 -3.315427598e-01 5.10 -3.187357611e-01 -3.187357611e-01 5.12 -3.065287043e-01 -3.065287043e-01 5.14 -2.948819511e-01 -2.948819511e-01 5.16 -2.837552195e-01 -2.837552195e-01 5.18 -2.731085998e-01 -2.731085998e-01 5.20 -2.629033998e-01 -2.629033998e-01 5.22 -2.531028313e-01 -2.531028313e-01 5.24 -2.436725587e-01 -2.436725587e-01 5.26 -2.345811322e-01 -2.345811322e-01 5.28 -2.258003284e-01 -2.258003284e-01 5.30 -2.173054118e-01 -2.173054118e-01 5.32 -2.090753282e-01 -2.090753282e-01 5.34 -2.010928260e-01 -2.010928260e-01 5.36 -1.933444993e-01 -1.933444993e-01 5.38 -1.858207371e-01 -1.858207371e-01 5.40 -1.785155596e-01 -1.785155596e-01 5.42 -1.714263283e-01 -1.714263283e-01 5.44 -1.645533193e-01 -1.645533193e-01 5.46 -1.578991639e-01 -1.578991639e-01 5.48 -1.514681751e-01 -1.514681751e-01 5.50 -1.452655941e-01 -1.452655941e-01 5.52 -1.392968080e-01 -1.392968080e-01 5.54 -1.335665953e-01 -1.335665953e-01 5.56 -1.280784567e-01 -1.280784567e-01 5.58 -1.228340815e-01 -1.228340815e-01 5.60 -1.178328922e-01 -1.178328922e-01 5.62 -1.130717394e-01 -1.130717394e-01 5.64 -1.085456319e-01 -1.085456319e-01 5.66 -1.042473565e-01 -1.042473565e-01 5.68 -1.001677005e-01 -1.001677005e-01 5.70 -9.629582392e-02 -9.629582392e-02 5.72 -9.261966490e-02 -9.261966490e-02 5.74 -8.912634285e-02 -8.912634285e-02 5.76 -8.580253167e-02 -8.580253167e-02 5.78 -8.263478465e-02 -8.263478465e-02 5.80 -7.960980180e-02 -7.960980180e-02 5.82 -7.671463783e-02 -7.671463783e-02 5.84 -7.393685431e-02 -7.393685431e-02 5.86 -7.126462290e-02 -7.126462290e-02 5.88 -6.868678890e-02 -6.868678890e-02 5.90 -6.619290427e-02 -6.619290427e-02 5.92 -6.377323971e-02 -6.377323971e-02 5.94 -6.141878387e-02 -6.141878387e-02 5.96 -5.912123724e-02 -5.912123724e-02 5.98 -5.687300643e-02 -5.687300643e-02 6.00 -5.466720372e-02 -5.466720372e-02