# 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 = Co2PtW # 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 2.842853103e+02 2.842853103e+02 1.30 2.629047258e+02 2.629047258e+02 1.32 2.430501016e+02 2.430501016e+02 1.34 2.246313809e+02 2.246313809e+02 1.36 2.075708216e+02 2.075708216e+02 1.38 1.917881366e+02 1.917881366e+02 1.40 1.771926990e+02 1.771926990e+02 1.42 1.636857373e+02 1.636857373e+02 1.44 1.511684840e+02 1.511684840e+02 1.46 1.395503849e+02 1.395503849e+02 1.48 1.287531263e+02 1.287531263e+02 1.50 1.187097206e+02 1.187097206e+02 1.52 1.093611571e+02 1.093611571e+02 1.54 1.006535174e+02 1.006535174e+02 1.56 9.253665292e+01 9.253665292e+01 1.58 8.496395693e+01 8.496395693e+01 1.60 7.789245124e+01 7.789245124e+01 1.62 7.128292442e+01 7.128292442e+01 1.64 6.510026278e+01 6.510026278e+01 1.66 5.931395678e+01 5.931395678e+01 1.68 5.389841985e+01 5.389841985e+01 1.70 4.883273987e+01 4.883273987e+01 1.72 4.409971422e+01 4.409971422e+01 1.74 3.968437652e+01 3.968437652e+01 1.76 3.557227338e+01 3.557227338e+01 1.78 3.174745958e+01 3.174745958e+01 1.80 2.823525001e+01 2.823525001e+01 1.82 2.503868751e+01 2.503868751e+01 1.84 2.212818078e+01 2.212818078e+01 1.86 1.947593246e+01 1.947593246e+01 1.88 1.705701491e+01 1.705701491e+01 1.90 1.484932409e+01 1.484932409e+01 1.92 1.283338667e+01 1.283338667e+01 1.94 1.099213222e+01 1.099213222e+01 1.96 9.310640163e+00 9.310640163e+00 1.98 7.775828672e+00 7.775828672e+00 2.00 6.376084697e+00 6.376084697e+00 2.02 5.100894811e+00 5.100894811e+00 2.04 3.940551805e+00 3.940551805e+00 2.06 2.885965407e+00 2.885965407e+00 2.08 1.928555467e+00 1.928555467e+00 2.10 1.060196126e+00 1.060196126e+00 2.12 2.731974099e-01 2.731974099e-01 2.14 -4.396743047e-01 -4.396743047e-01 2.16 -1.085138573e+00 -1.085138573e+00 2.18 -1.669324425e+00 -1.669324425e+00 2.20 -2.197707914e+00 -2.197707914e+00 2.22 -2.675093369e+00 -2.675093369e+00 2.24 -3.105648606e+00 -3.105648606e+00 2.26 -3.492983081e+00 -3.492983081e+00 2.28 -3.840247524e+00 -3.840247524e+00 2.30 -4.150235230e+00 -4.150235230e+00 2.32 -4.425435536e+00 -4.425435536e+00 2.34 -4.668124591e+00 -4.668124591e+00 2.36 -4.880604871e+00 -4.880604871e+00 2.38 -5.065071972e+00 -5.065071972e+00 2.40 -5.223636517e+00 -5.223636517e+00 2.42 -5.358341817e+00 -5.358341817e+00 2.44 -5.471168024e+00 -5.471168024e+00 2.46 -5.564026097e+00 -5.564026097e+00 2.48 -5.638624782e+00 -5.638624782e+00 2.50 -5.696789651e+00 -5.696789651e+00 2.52 -5.741204942e+00 -5.741204942e+00 2.54 -5.772938074e+00 -5.772938074e+00 2.56 -5.792930483e+00 -5.792930483e+00 2.58 -5.802117317e+00 -5.802117317e+00 2.60 -5.801383307e+00 -5.801383307e+00 2.62 -5.791522795e+00 -5.791522795e+00 2.64 -5.773210885e+00 -5.773210885e+00 2.66 -5.746992011e+00 -5.746992011e+00 2.68 -5.713292416e+00 -5.713292416e+00 2.70 -5.672510875e+00 -5.672510875e+00 2.72 -5.624864333e+00 -5.624864333e+00 2.74 -5.570499538e+00 -5.570499538e+00 2.76 -5.509566108e+00 -5.509566108e+00 2.78 -5.442227669e+00 -5.442227669e+00 2.80 -5.368668383e+00 -5.368668383e+00 2.82 -5.289097951e+00 -5.289097951e+00 2.84 -5.203758167e+00 -5.203758167e+00 2.86 -5.112929980e+00 -5.112929980e+00 2.88 -5.016889103e+00 -5.016889103e+00 2.90 -4.915936643e+00 -4.915936643e+00 2.92 -4.810482710e+00 -4.810482710e+00 2.94 -4.701057030e+00 -4.701057030e+00 2.96 -4.588306583e+00 -4.588306583e+00 2.98 -4.472978559e+00 -4.472978559e+00 3.00 -4.355887154e+00 -4.355887154e+00 3.02 -4.237867000e+00 -4.237867000e+00 3.04 -4.119720035e+00 -4.119720035e+00 3.06 -4.002164757e+00 -4.002164757e+00 3.08 -3.885836145e+00 -3.885836145e+00 3.10 -3.771544279e+00 -3.771544279e+00 3.12 -3.659938231e+00 -3.659938231e+00 3.14 -3.551316606e+00 -3.551316606e+00 3.16 -3.445714899e+00 -3.445714899e+00 3.18 -3.342990306e+00 -3.342990306e+00 3.20 -3.242893825e+00 -3.242893825e+00 3.22 -3.145126870e+00 -3.145126870e+00 3.24 -3.049382841e+00 -3.049382841e+00 3.26 -2.955375919e+00 -2.955375919e+00 3.28 -2.862859923e+00 -2.862859923e+00 3.30 -2.771639904e+00 -2.771639904e+00 3.32 -2.681578619e+00 -2.681578619e+00 3.34 -2.592599360e+00 -2.592599360e+00 3.36 -2.504686001e+00 -2.504686001e+00 3.38 -2.417880648e+00 -2.417880648e+00 3.40 -2.332278987e+00 -2.332278987e+00 3.42 -2.248023315e+00 -2.248023315e+00 3.44 -2.165293278e+00 -2.165293278e+00 3.46 -2.084294602e+00 -2.084294602e+00 3.48 -2.005246317e+00 -2.005246317e+00 3.50 -1.928367299e+00 -1.928367299e+00 3.52 -1.853863112e+00 -1.853863112e+00 3.54 -1.781914193e+00 -1.781914193e+00 3.56 -1.712666294e+00 -1.712666294e+00 3.58 -1.646223853e+00 -1.646223853e+00 3.60 -1.582646575e+00 -1.582646575e+00 3.62 -1.521949178e+00 -1.521949178e+00 3.64 -1.464103914e+00 -1.464103914e+00 3.66 -1.409045241e+00 -1.409045241e+00 3.68 -1.356675951e+00 -1.356675951e+00 3.70 -1.306874010e+00 -1.306874010e+00 3.72 -1.259499498e+00 -1.259499498e+00 3.74 -1.214401116e+00 -1.214401116e+00 3.76 -1.171421930e+00 -1.171421930e+00 3.78 -1.130404128e+00 -1.130404128e+00 3.80 -1.091192736e+00 -1.091192736e+00 3.82 -1.053638300e+00 -1.053638300e+00 3.84 -1.017598670e+00 -1.017598670e+00 3.86 -9.829400170e-01 -9.829400170e-01 3.88 -9.495372723e-01 -9.495372723e-01 3.90 -9.172741778e-01 -9.172741778e-01 3.92 -8.860431161e-01 -8.860431161e-01 3.94 -8.557448931e-01 -8.557448931e-01 3.96 -8.262885842e-01 -8.262885842e-01 3.98 -7.975915831e-01 -7.975915831e-01 4.00 -7.695799012e-01 -7.695799012e-01 4.02 -7.421887636e-01 -7.421887636e-01 4.04 -7.153634848e-01 -7.153634848e-01 4.06 -6.890605627e-01 -6.890605627e-01 4.08 -6.632488634e-01 -6.632488634e-01 4.10 -6.379107166e-01 -6.379107166e-01 4.12 -6.130427124e-01 -6.130427124e-01 4.14 -5.886559065e-01 -5.886559065e-01 4.16 -5.647752704e-01 -5.647752704e-01 4.18 -5.414381737e-01 -5.414381737e-01 4.20 -5.186918670e-01 -5.186918670e-01 4.22 -4.965900534e-01 -4.965900534e-01 4.24 -4.751887849e-01 -4.751887849e-01 4.26 -4.545420421e-01 -4.545420421e-01 4.28 -4.346974174e-01 -4.346974174e-01 4.30 -4.156923207e-01 -4.156923207e-01 4.32 -3.975510567e-01 -3.975510567e-01 4.34 -3.802830047e-01 -3.802830047e-01 4.36 -3.638819914e-01 -3.638819914e-01 4.38 -3.483267999e-01 -3.483267999e-01 4.40 -3.335826394e-01 -3.335826394e-01 4.42 -3.196033148e-01 -3.196033148e-01 4.44 -3.063337984e-01 -3.063337984e-01 4.46 -2.937129177e-01 -2.937129177e-01 4.48 -2.816759243e-01 -2.816759243e-01 4.50 -2.701567773e-01 -2.701567773e-01 4.52 -2.590900584e-01 -2.590900584e-01 4.54 -2.484125005e-01 -2.484125005e-01 4.56 -2.380641675e-01 -2.380641675e-01 4.58 -2.279893530e-01 -2.279893530e-01 4.60 -2.181372785e-01 -2.181372785e-01 4.62 -2.084626686e-01 -2.084626686e-01 4.64 -1.989262679e-01 -1.989262679e-01 4.66 -1.894953405e-01 -1.894953405e-01 4.68 -1.801441703e-01 -1.801441703e-01 4.70 -1.708545517e-01 -1.708545517e-01 4.72 -1.616162355e-01 -1.616162355e-01 4.74 -1.524272727e-01 -1.524272727e-01 4.76 -1.432941847e-01 -1.432941847e-01 4.78 -1.342318804e-01 -1.342318804e-01 4.80 -1.252632520e-01 -1.252632520e-01 4.82 -1.164183986e-01 -1.164183986e-01 4.84 -1.077334546e-01 -1.077334546e-01 4.86 -9.924905326e-02 -9.924905326e-02 4.88 -9.100848561e-02 -9.100848561e-02 4.90 -8.305566038e-02 -8.305566038e-02 4.92 -7.543299961e-02 -7.543299961e-02 4.94 -6.817941560e-02 -6.817941560e-02 4.96 -6.132850974e-02 -6.132850974e-02 4.98 -5.490712602e-02 -5.490712602e-02 5.00 -4.893433917e-02 -4.893433917e-02 5.02 -4.342092518e-02 -4.342092518e-02 5.04 -3.836932888e-02 -3.836932888e-02 5.06 -3.377408639e-02 -3.377408639e-02 5.08 -2.962290372e-02 -2.962290372e-02 5.10 -2.589732830e-02 -2.589732830e-02 5.12 -2.257367561e-02 -2.257367561e-02 5.14 -1.962492340e-02 -1.962492340e-02 5.16 -1.702189869e-02 -1.702189869e-02 5.18 -1.473420362e-02 -1.473420362e-02 5.20 -1.273189322e-02 -1.273189322e-02 5.22 -1.098576362e-02 -1.098576362e-02 5.24 -9.467869590e-03 -9.467869590e-03 5.26 -8.151977137e-03 -8.151977137e-03 5.28 -7.013846353e-03 -7.013846353e-03 5.30 -6.031375001e-03 -6.031375001e-03 5.32 -5.184633274e-03 -5.184633274e-03 5.34 -4.455818030e-03 -4.455818030e-03 5.36 -3.829150984e-03 -3.829150984e-03 5.38 -3.290741055e-03 -3.290741055e-03 5.40 -2.828426718e-03 -2.828426718e-03 5.42 -2.431610313e-03 -2.431610313e-03 5.44 -2.091092872e-03 -2.091092872e-03 5.46 -1.798915296e-03 -1.798915296e-03 5.48 -1.548209561e-03 -1.548209561e-03 5.50 -1.333062033e-03 -1.333062033e-03 5.52 -1.148389794e-03 -1.148389794e-03 5.54 -9.898300584e-04 -9.898300584e-04 5.56 -8.536422444e-04 -8.536422444e-04 5.58 -7.366218970e-04 -7.366218970e-04 5.60 -6.360255102e-04 -6.360255102e-04 5.62 -5.495051903e-04 -5.495051903e-04 5.64 -4.750521074e-04 -4.750521074e-04 5.66 -4.109477140e-04 -4.109477140e-04 5.68 -3.557217788e-04 -3.557217788e-04 5.70 -3.081163597e-04 -3.081163597e-04 5.72 -2.670549320e-04 -2.670549320e-04 5.74 -2.316159674e-04 -2.316159674e-04 5.76 -2.010103478e-04 -2.010103478e-04 5.78 -1.745620718e-04 -1.745620718e-04 5.80 -1.516917844e-04 -1.516917844e-04 5.82 -1.319027208e-04 -1.319027208e-04 5.84 -1.147687149e-04 -1.147687149e-04 5.86 -9.992396848e-05 -9.992396848e-05 5.88 -8.705432392e-05 -8.705432392e-05 5.90 -7.588981725e-05 -7.588981725e-05 5.92 -6.619832349e-05 -6.619832349e-05 5.94 -5.778013182e-05 -5.778013182e-05 5.96 -5.046331338e-05 -5.046331338e-05 5.98 -4.409976426e-05 -4.409976426e-05 6.00 -3.856182374e-05 -3.856182374e-05