# 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 = MoNiPd2 # 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 2.681853319e+02 2.681853319e+02 1.30 2.482346510e+02 2.482346510e+02 1.32 2.297515924e+02 2.297515924e+02 1.34 2.126204791e+02 2.126204791e+02 1.36 1.967377535e+02 1.967377535e+02 1.38 1.820087945e+02 1.820087945e+02 1.40 1.683458217e+02 1.683458217e+02 1.42 1.556667778e+02 1.556667778e+02 1.44 1.438952094e+02 1.438952094e+02 1.46 1.329607774e+02 1.329607774e+02 1.48 1.227995066e+02 1.227995066e+02 1.50 1.133533065e+02 1.133533065e+02 1.52 1.045689913e+02 1.045689913e+02 1.54 9.639726222e+01 9.639726222e+01 1.56 8.879198579e+01 8.879198579e+01 1.58 8.170986207e+01 8.170986207e+01 1.60 7.511043092e+01 7.511043092e+01 1.62 6.895631276e+01 6.895631276e+01 1.64 6.321346997e+01 6.321346997e+01 1.66 5.785122755e+01 5.785122755e+01 1.68 5.284204002e+01 5.284204002e+01 1.70 4.816291034e+01 4.816291034e+01 1.72 4.379564941e+01 4.379564941e+01 1.74 3.974956306e+01 3.974956306e+01 1.76 3.600965745e+01 3.600965745e+01 1.78 3.255572459e+01 3.255572459e+01 1.80 2.936940303e+01 2.936940303e+01 1.82 2.643369290e+01 2.643369290e+01 1.84 2.373238521e+01 2.373238521e+01 1.86 2.124961882e+01 2.124961882e+01 1.88 1.896968411e+01 1.896968411e+01 1.90 1.687708620e+01 1.687708620e+01 1.92 1.495680562e+01 1.495680562e+01 1.94 1.319463600e+01 1.319463600e+01 1.96 1.157745826e+01 1.157745826e+01 1.98 1.009335995e+01 1.009335995e+01 2.00 8.731593597e+00 8.731593597e+00 2.02 7.482430980e+00 7.482430980e+00 2.04 6.336983592e+00 6.336983592e+00 2.06 5.287042205e+00 5.287042205e+00 2.08 4.324963381e+00 4.324963381e+00 2.10 3.443611122e+00 3.443611122e+00 2.12 2.636347053e+00 2.636347053e+00 2.14 1.897051049e+00 1.897051049e+00 2.16 1.220148058e+00 1.220148058e+00 2.18 6.006192140e-01 6.006192140e-01 2.20 3.398550417e-02 3.398550417e-02 2.22 -4.837350260e-01 -4.837350260e-01 2.24 -9.560866513e-01 -9.560866513e-01 2.26 -1.386240529e+00 -1.386240529e+00 2.28 -1.777057676e+00 -1.777057676e+00 2.30 -2.131149211e+00 -2.131149211e+00 2.32 -2.450934234e+00 -2.450934234e+00 2.34 -2.738692369e+00 -2.738692369e+00 2.36 -2.996604594e+00 -2.996604594e+00 2.38 -3.226764805e+00 -3.226764805e+00 2.40 -3.431071619e+00 -3.431071619e+00 2.42 -3.611596946e+00 -3.611596946e+00 2.44 -3.770391680e+00 -3.770391680e+00 2.46 -3.909401366e+00 -3.909401366e+00 2.48 -4.030463860e+00 -4.030463860e+00 2.50 -4.135296270e+00 -4.135296270e+00 2.52 -4.225471403e+00 -4.225471403e+00 2.54 -4.302361192e+00 -4.302361192e+00 2.56 -4.366966473e+00 -4.366966473e+00 2.58 -4.420084060e+00 -4.420084060e+00 2.60 -4.462411819e+00 -4.462411819e+00 2.62 -4.494566519e+00 -4.494566519e+00 2.64 -4.517107189e+00 -4.517107189e+00 2.66 -4.530558651e+00 -4.530558651e+00 2.68 -4.535576934e+00 -4.535576934e+00 2.70 -4.533206789e+00 -4.533206789e+00 2.72 -4.523563662e+00 -4.523563662e+00 2.74 -4.506681097e+00 -4.506681097e+00 2.76 -4.482675091e+00 -4.482675091e+00 2.78 -4.451725831e+00 -4.451725831e+00 2.80 -4.414062225e+00 -4.414062225e+00 2.82 -4.369951632e+00 -4.369951632e+00 2.84 -4.319697404e+00 -4.319697404e+00 2.86 -4.263688341e+00 -4.263688341e+00 2.88 -4.202407828e+00 -4.202407828e+00 2.90 -4.136367845e+00 -4.136367845e+00 2.92 -4.066105740e+00 -4.066105740e+00 2.94 -3.992178597e+00 -3.992178597e+00 2.96 -3.915150662e+00 -3.915150662e+00 2.98 -3.835576054e+00 -3.835576054e+00 3.00 -3.753980284e+00 -3.753980284e+00 3.02 -3.670843959e+00 -3.670843959e+00 3.04 -3.586590960e+00 -3.586590960e+00 3.06 -3.501581869e+00 -3.501581869e+00 3.08 -3.416112269e+00 -3.416112269e+00 3.10 -3.330414996e+00 -3.330414996e+00 3.12 -3.244665313e+00 -3.244665313e+00 3.14 -3.158988142e+00 -3.158988142e+00 3.16 -3.073466689e+00 -3.073466689e+00 3.18 -2.988151932e+00 -2.988151932e+00 3.20 -2.903072524e+00 -2.903072524e+00 3.22 -2.818244760e+00 -2.818244760e+00 3.24 -2.733682277e+00 -2.733682277e+00 3.26 -2.649405175e+00 -2.649405175e+00 3.28 -2.565448277e+00 -2.565448277e+00 3.30 -2.481868150e+00 -2.481868150e+00 3.32 -2.398748542e+00 -2.398748542e+00 3.34 -2.316203789e+00 -2.316203789e+00 3.36 -2.234379839e+00 -2.234379839e+00 3.38 -2.153452609e+00 -2.153452609e+00 3.40 -2.073623585e+00 -2.073623585e+00 3.42 -1.995112824e+00 -1.995112824e+00 3.44 -1.918149845e+00 -1.918149845e+00 3.46 -1.842963128e+00 -1.842963128e+00 3.48 -1.769769174e+00 -1.769769174e+00 3.50 -1.698762167e+00 -1.698762167e+00 3.52 -1.630105170e+00 -1.630105170e+00 3.54 -1.563923630e+00 -1.563923630e+00 3.56 -1.500301603e+00 -1.500301603e+00 3.58 -1.439280806e+00 -1.439280806e+00 3.60 -1.380862253e+00 -1.380862253e+00 3.62 -1.325010015e+00 -1.325010015e+00 3.64 -1.271656505e+00 -1.271656505e+00 3.66 -1.220708678e+00 -1.220708678e+00 3.68 -1.172054579e+00 -1.172054579e+00 3.70 -1.125569805e+00 -1.125569805e+00 3.72 -1.081123545e+00 -1.081123545e+00 3.74 -1.038583978e+00 -1.038583978e+00 3.76 -9.978228955e-01 -9.978228955e-01 3.78 -9.587194380e-01 -9.587194380e-01 3.80 -9.211628692e-01 -9.211628692e-01 3.82 -8.850543145e-01 -8.850543145e-01 3.84 -8.503074295e-01 -8.503074295e-01 3.86 -8.168480191e-01 -8.168480191e-01 3.88 -7.846127293e-01 -7.846127293e-01 3.90 -7.535470554e-01 -7.535470554e-01 3.92 -7.236030162e-01 -7.236030162e-01 3.94 -6.947368997e-01 -6.947368997e-01 3.96 -6.669074563e-01 -6.669074563e-01 3.98 -6.400748034e-01 -6.400748034e-01 4.00 -6.142001256e-01 -6.142001256e-01 4.02 -5.892460671e-01 -5.892460671e-01 4.04 -5.651775594e-01 -5.651775594e-01 4.06 -5.419627464e-01 -5.419627464e-01 4.08 -5.195736698e-01 -5.195736698e-01 4.10 -4.979864546e-01 -4.979864546e-01 4.12 -4.771808673e-01 -4.771808673e-01 4.14 -4.571392507e-01 -4.571392507e-01 4.16 -4.378450062e-01 -4.378450062e-01 4.18 -4.192808630e-01 -4.192808630e-01 4.20 -4.014272343e-01 -4.014272343e-01 4.22 -3.842609326e-01 -3.842609326e-01 4.24 -3.677544409e-01 -3.677544409e-01 4.26 -3.518758317e-01 -3.518758317e-01 4.28 -3.365893141e-01 -3.365893141e-01 4.30 -3.218562945e-01 -3.218562945e-01 4.32 -3.076367831e-01 -3.076367831e-01 4.34 -2.938909472e-01 -2.938909472e-01 4.36 -2.805806278e-01 -2.805806278e-01 4.38 -2.676706549e-01 -2.676706549e-01 4.40 -2.551298440e-01 -2.551298440e-01 4.42 -2.429315947e-01 -2.429315947e-01 4.44 -2.310540646e-01 -2.310540646e-01 4.46 -2.194799408e-01 -2.194799408e-01 4.48 -2.081958834e-01 -2.081958834e-01 4.50 -1.971917424e-01 -1.971917424e-01 4.52 -1.864597195e-01 -1.864597195e-01 4.54 -1.759936153e-01 -1.759936153e-01 4.56 -1.657883011e-01 -1.657883011e-01 4.58 -1.558395125e-01 -1.558395125e-01 4.60 -1.461439720e-01 -1.461439720e-01 4.62 -1.366998414e-01 -1.366998414e-01 4.64 -1.275073717e-01 -1.275073717e-01 4.66 -1.185694587e-01 -1.185694587e-01 4.68 -1.098928213e-01 -1.098928213e-01 4.70 -1.014880909e-01 -1.014880909e-01 4.72 -9.336973085e-02 -9.336973085e-02 4.74 -8.555564080e-02 -8.555564080e-02 4.76 -7.806630559e-02 -7.806630559e-02 4.78 -7.092355482e-02 -7.092355482e-02 4.80 -6.414905629e-02 -6.414905629e-02 4.82 -5.776270841e-02 -5.776270841e-02 4.84 -5.178110394e-02 -5.178110394e-02 4.86 -4.621623506e-02 -4.621623506e-02 4.88 -4.107456102e-02 -4.107456102e-02 4.90 -3.635651783e-02 -3.635651783e-02 4.92 -3.205646642e-02 -3.205646642e-02 4.94 -2.816305386e-02 -2.816305386e-02 4.96 -2.465989061e-02 -2.465989061e-02 4.98 -2.152646601e-02 -2.152646601e-02 5.00 -1.873917386e-02 -1.873917386e-02 5.02 -1.627234829e-02 -1.627234829e-02 5.04 -1.409893675e-02 -1.409893675e-02 5.06 -1.219185586e-02 -1.219185586e-02 5.08 -1.052495641e-02 -1.052495641e-02 5.10 -9.072958501e-03 -9.072958501e-03 5.12 -7.811919223e-03 -7.811919223e-03 5.14 -6.719543478e-03 -6.719543478e-03 5.16 -5.775361010e-03 -5.775361010e-03 5.18 -4.960797398e-03 -4.960797398e-03 5.20 -4.259164903e-03 -4.259164903e-03 5.22 -3.655595955e-03 -3.655595955e-03 5.24 -3.136938226e-03 -3.136938226e-03 5.26 -2.691626411e-03 -2.691626411e-03 5.28 -2.309542311e-03 -2.309542311e-03 5.30 -1.981871745e-03 -1.981871745e-03 5.32 -1.700964304e-03 -1.700964304e-03 5.34 -1.460199929e-03 -1.460199929e-03 5.36 -1.253864772e-03 -1.253864772e-03 5.38 -1.077037640e-03 -1.077037640e-03 5.40 -9.254874799e-04 -9.254874799e-04 5.42 -7.955818442e-04 -7.955818442e-04 5.44 -6.842058287e-04 -6.842058287e-04 5.46 -5.886908119e-04 -5.886908119e-04 5.48 -5.067521610e-04 -5.067521610e-04 5.50 -4.364350385e-04 -4.364350385e-04 5.52 -3.760674406e-04 -3.760674406e-04 5.54 -3.242196362e-04 -3.242196362e-04 5.56 -2.796692275e-04 -2.796692275e-04 5.58 -2.413711188e-04 -2.413711188e-04 5.60 -2.084317531e-04 -2.084317531e-04 5.62 -1.800870408e-04 -1.800870408e-04 5.64 -1.556834752e-04 -1.556834752e-04 5.66 -1.346619883e-04 -1.346619883e-04 5.68 -1.165441612e-04 -1.165441612e-04 5.70 -1.009204503e-04 -1.009204503e-04 5.72 -8.744014034e-05 -8.744014034e-05 5.74 -7.580277175e-05 -7.580277175e-05 5.76 -6.575082795e-05 -6.575082795e-05 5.78 -5.706349726e-05 -5.706349726e-05 5.80 -4.955135152e-05 -4.955135152e-05 5.82 -4.305180600e-05 -4.305180600e-05 5.84 -3.742524533e-05 -3.742524533e-05 5.86 -3.255171688e-05 -3.255171688e-05 5.88 -2.832810765e-05 -2.832810765e-05 5.90 -2.466573324e-05 -2.466573324e-05 5.92 -2.148827805e-05 -2.148827805e-05 5.94 -1.873003470e-05 -1.873003470e-05 5.96 -1.633439869e-05 -1.633439869e-05 5.98 -1.425258075e-05 -1.425258075e-05 6.00 -1.244250479e-05 -1.244250479e-05