# 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 = Al2PdTi # 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 1.719795532e+02 1.719795532e+02 1.30 1.598757556e+02 1.598757556e+02 1.32 1.486336119e+02 1.486336119e+02 1.34 1.381856184e+02 1.381856184e+02 1.36 1.284692122e+02 1.284692122e+02 1.38 1.194262014e+02 1.194262014e+02 1.40 1.110030358e+02 1.110030358e+02 1.42 1.031511731e+02 1.031511731e+02 1.44 9.582709167e+01 9.582709167e+01 1.46 8.899204474e+01 8.899204474e+01 1.48 8.261161286e+01 8.261161286e+01 1.50 7.665492430e+01 7.665492430e+01 1.52 7.109363812e+01 7.109363812e+01 1.54 6.590103559e+01 6.590103559e+01 1.56 6.105146962e+01 6.105146962e+01 1.58 5.652023379e+01 5.652023379e+01 1.60 5.228378758e+01 5.228378758e+01 1.62 4.832018717e+01 4.832018717e+01 1.64 4.460951467e+01 4.460951467e+01 1.66 4.113411128e+01 4.113411128e+01 1.68 3.787939423e+01 3.787939423e+01 1.70 3.484404898e+01 3.484404898e+01 1.72 3.201738557e+01 3.201738557e+01 1.74 2.938567133e+01 2.938567133e+01 1.76 2.693723111e+01 2.693723111e+01 1.78 2.465842009e+01 2.465842009e+01 1.80 2.253650735e+01 2.253650735e+01 1.82 2.055989507e+01 2.055989507e+01 1.84 1.871812098e+01 1.871812098e+01 1.86 1.700177169e+01 1.700177169e+01 1.88 1.540234995e+01 1.540234995e+01 1.90 1.391213361e+01 1.391213361e+01 1.92 1.252404066e+01 1.252404066e+01 1.94 1.123151164e+01 1.123151164e+01 1.96 1.002842307e+01 1.002842307e+01 1.98 8.909035552e+00 8.909035552e+00 2.00 7.867963516e+00 7.867963516e+00 2.02 6.900150793e+00 6.900150793e+00 2.04 6.000846046e+00 6.000846046e+00 2.06 5.165578728e+00 5.165578728e+00 2.08 4.390137882e+00 4.390137882e+00 2.10 3.670555233e+00 3.670555233e+00 2.12 3.003092222e+00 3.003092222e+00 2.14 2.384230204e+00 2.384230204e+00 2.16 1.810665811e+00 1.810665811e+00 2.18 1.279313045e+00 1.279313045e+00 2.20 7.873097663e-01 7.873097663e-01 2.22 3.320212619e-01 3.320212619e-01 2.24 -8.896485160e-02 -8.896485160e-02 2.26 -4.778530681e-01 -4.778530681e-01 2.28 -8.366589340e-01 -8.366589340e-01 2.30 -1.167226424e+00 -1.167226424e+00 2.32 -1.471241888e+00 -1.471241888e+00 2.34 -1.750245505e+00 -1.750245505e+00 2.36 -2.005644686e+00 -2.005644686e+00 2.38 -2.238731847e+00 -2.238731847e+00 2.40 -2.450707515e+00 -2.450707515e+00 2.42 -2.642707078e+00 -2.642707078e+00 2.44 -2.815827879e+00 -2.815827879e+00 2.46 -2.971153536e+00 -2.971153536e+00 2.48 -3.109772038e+00 -3.109772038e+00 2.50 -3.232785595e+00 -3.232785595e+00 2.52 -3.341312463e+00 -3.341312463e+00 2.54 -3.436483958e+00 -3.436483958e+00 2.56 -3.519486463e+00 -3.519486463e+00 2.58 -3.591451933e+00 -3.591451933e+00 2.60 -3.653458097e+00 -3.653458097e+00 2.62 -3.706564892e+00 -3.706564892e+00 2.64 -3.751777699e+00 -3.751777699e+00 2.66 -3.790003262e+00 -3.790003262e+00 2.68 -3.822012027e+00 -3.822012027e+00 2.70 -3.848487647e+00 -3.848487647e+00 2.72 -3.870130404e+00 -3.870130404e+00 2.74 -3.887058087e+00 -3.887058087e+00 2.76 -3.899300244e+00 -3.899300244e+00 2.78 -3.906883802e+00 -3.906883802e+00 2.80 -3.910271655e+00 -3.910271655e+00 2.82 -3.910410102e+00 -3.910410102e+00 2.84 -3.907004581e+00 -3.907004581e+00 2.86 -3.899796021e+00 -3.899796021e+00 2.88 -3.888623241e+00 -3.888623241e+00 2.90 -3.873433360e+00 -3.873433360e+00 2.92 -3.854252584e+00 -3.854252584e+00 2.94 -3.831162705e+00 -3.831162705e+00 2.96 -3.804293507e+00 -3.804293507e+00 2.98 -3.773825125e+00 -3.773825125e+00 3.00 -3.740003552e+00 -3.740003552e+00 3.02 -3.703118064e+00 -3.703118064e+00 3.04 -3.663493017e+00 -3.663493017e+00 3.06 -3.621481570e+00 -3.621481570e+00 3.08 -3.577452114e+00 -3.577452114e+00 3.10 -3.531769802e+00 -3.531769802e+00 3.12 -3.484776099e+00 -3.484776099e+00 3.14 -3.436771495e+00 -3.436771495e+00 3.16 -3.388004188e+00 -3.388004188e+00 3.18 -3.338666940e+00 -3.338666940e+00 3.20 -3.288900497e+00 -3.288900497e+00 3.22 -3.238801656e+00 -3.238801656e+00 3.24 -3.188433375e+00 -3.188433375e+00 3.26 -3.137834882e+00 -3.137834882e+00 3.28 -3.087030492e+00 -3.087030492e+00 3.30 -3.036036621e+00 -3.036036621e+00 3.32 -2.984866975e+00 -2.984866975e+00 3.34 -2.933536215e+00 -2.933536215e+00 3.36 -2.882062470e+00 -2.882062470e+00 3.38 -2.830469047e+00 -2.830469047e+00 3.40 -2.778785609e+00 -2.778785609e+00 3.42 -2.727049106e+00 -2.727049106e+00 3.44 -2.675304281e+00 -2.675304281e+00 3.46 -2.623604104e+00 -2.623604104e+00 3.48 -2.572009754e+00 -2.572009754e+00 3.50 -2.520590086e+00 -2.520590086e+00 3.52 -2.469420371e+00 -2.469420371e+00 3.54 -2.418580133e+00 -2.418580133e+00 3.56 -2.368150097e+00 -2.368150097e+00 3.58 -2.318208450e+00 -2.318208450e+00 3.60 -2.268826887e+00 -2.268826887e+00 3.62 -2.220067036e+00 -2.220067036e+00 3.64 -2.171977823e+00 -2.171977823e+00 3.66 -2.124594104e+00 -2.124594104e+00 3.68 -2.077936633e+00 -2.077936633e+00 3.70 -2.032013099e+00 -2.032013099e+00 3.72 -1.986819882e+00 -1.986819882e+00 3.74 -1.942344113e+00 -1.942344113e+00 3.76 -1.898565747e+00 -1.898565747e+00 3.78 -1.855459458e+00 -1.855459458e+00 3.80 -1.812996278e+00 -1.812996278e+00 3.82 -1.771144986e+00 -1.771144986e+00 3.84 -1.729873267e+00 -1.729873267e+00 3.86 -1.689148697e+00 -1.689148697e+00 3.88 -1.648939577e+00 -1.648939577e+00 3.90 -1.609215652e+00 -1.609215652e+00 3.92 -1.569948715e+00 -1.569948715e+00 3.94 -1.531113238e+00 -1.531113238e+00 3.96 -1.492686662e+00 -1.492686662e+00 3.98 -1.454649902e+00 -1.454649902e+00 4.00 -1.416987622e+00 -1.416987622e+00 4.02 -1.379688490e+00 -1.379688490e+00 4.04 -1.342745357e+00 -1.342745357e+00 4.06 -1.306155379e+00 -1.306155379e+00 4.08 -1.269920065e+00 -1.269920065e+00 4.10 -1.234045205e+00 -1.234045205e+00 4.12 -1.198541170e+00 -1.198541170e+00 4.14 -1.163422374e+00 -1.163422374e+00 4.16 -1.128707675e+00 -1.128707675e+00 4.18 -1.094420394e+00 -1.094420394e+00 4.20 -1.060588507e+00 -1.060588507e+00 4.22 -1.027244844e+00 -1.027244844e+00 4.24 -9.944271670e-01 -9.944271670e-01 4.26 -9.621779490e-01 -9.621779490e-01 4.28 -9.305436617e-01 -9.305436617e-01 4.30 -8.995734290e-01 -8.995734290e-01 4.32 -8.693170062e-01 -8.693170062e-01 4.34 -8.398221787e-01 -8.398221787e-01 4.36 -8.111318158e-01 -8.111318158e-01 4.38 -7.832809137e-01 -7.832809137e-01 4.40 -7.562939947e-01 -7.562939947e-01 4.42 -7.301831888e-01 -7.301831888e-01 4.44 -7.049472104e-01 -7.049472104e-01 4.46 -6.805713074e-01 -6.805713074e-01 4.48 -6.570281151e-01 -6.570281151e-01 4.50 -6.342792422e-01 -6.342792422e-01 4.52 -6.122773571e-01 -6.122773571e-01 4.54 -5.909685321e-01 -5.909685321e-01 4.56 -5.702946306e-01 -5.702946306e-01 4.58 -5.501955721e-01 -5.501955721e-01 4.60 -5.306113690e-01 -5.306113690e-01 4.62 -5.114838750e-01 -5.114838750e-01 4.64 -4.927582293e-01 -4.927582293e-01 4.66 -4.743840044e-01 -4.743840044e-01 4.68 -4.563160835e-01 -4.563160835e-01 4.70 -4.385152994e-01 -4.385152994e-01 4.72 -4.209488751e-01 -4.209488751e-01 4.74 -4.035907076e-01 -4.035907076e-01 4.76 -3.864215404e-01 -3.864215404e-01 4.78 -3.694290699e-01 -3.694290699e-01 4.80 -3.526079758e-01 -3.526079758e-01 4.82 -3.359602153e-01 -3.359602153e-01 4.84 -3.194947829e-01 -3.194947829e-01 4.86 -3.032280147e-01 -3.032280147e-01 4.88 -2.871835250e-01 -2.871835250e-01 4.90 -2.713920436e-01 -2.713920436e-01 4.92 -2.558909881e-01 -2.558909881e-01 4.94 -2.407236782e-01 -2.407236782e-01 4.96 -2.259381225e-01 -2.259381225e-01 4.98 -2.115853652e-01 -2.115853652e-01 5.00 -1.977174427e-01 -1.977174427e-01 5.02 -1.843850722e-01 -1.843850722e-01 5.04 -1.716352467e-01 -1.716352467e-01 5.06 -1.595089448e-01 -1.595089448e-01 5.08 -1.480391610e-01 -1.480391610e-01 5.10 -1.372494286e-01 -1.372494286e-01 5.12 -1.271529485e-01 -1.271529485e-01 5.14 -1.177523618e-01 -1.177523618e-01 5.16 -1.090401342e-01 -1.090401342e-01 5.18 -1.009994561e-01 -1.009994561e-01 5.20 -9.360552770e-02 -9.360552770e-02 5.22 -8.682707755e-02 -8.682707755e-02 5.24 -8.062797150e-02 -8.062797150e-02 5.26 -7.496878088e-02 -7.496878088e-02 5.28 -6.980823694e-02 -6.980823694e-02 5.30 -6.510448969e-02 -6.510448969e-02 5.32 -6.081615355e-02 -6.081615355e-02 5.34 -5.690311034e-02 -5.690311034e-02 5.36 -5.332710763e-02 -5.332710763e-02 5.38 -5.005195803e-02 -5.005195803e-02 5.40 -4.704415380e-02 -4.704415380e-02 5.42 -4.427310338e-02 -4.427310338e-02 5.44 -4.171082648e-02 -4.171082648e-02 5.46 -3.933189020e-02 -3.933189020e-02 5.48 -3.711335142e-02 -3.711335142e-02 5.50 -3.503465943e-02 -3.503465943e-02 5.52 -3.307753888e-02 -3.307753888e-02 5.54 -3.122586843e-02 -3.122586843e-02 5.56 -2.946556186e-02 -2.946556186e-02 5.58 -2.778446184e-02 -2.778446184e-02 5.60 -2.617224699e-02 -2.617224699e-02 5.62 -2.462034996e-02 -2.462034996e-02 5.64 -2.312188371e-02 -2.312188371e-02 5.66 -2.167156982e-02 -2.167156982e-02 5.68 -2.026566148e-02 -2.026566148e-02 5.70 -1.890185243e-02 -1.890185243e-02 5.72 -1.757916409e-02 -1.757916409e-02 5.74 -1.629780387e-02 -1.629780387e-02 5.76 -1.505898908e-02 -1.505898908e-02 5.78 -1.386457854e-02 -1.386457854e-02 5.80 -1.271712657e-02 -1.271712657e-02 5.82 -1.161963105e-02 -1.161963105e-02 5.84 -1.057513972e-02 -1.057513972e-02 5.86 -9.586501597e-03 -9.586501597e-03 5.88 -8.656145914e-03 -8.656145914e-03 5.90 -7.785902768e-03 -7.785902768e-03 5.92 -6.976875822e-03 -6.976875822e-03 5.94 -6.229371988e-03 -6.229371988e-03 5.96 -5.542887432e-03 -5.542887432e-03 5.98 -4.916144155e-03 -4.916144155e-03 6.00 -4.347167532e-03 -4.347167532e-03