# 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 = AlFeTi2 # 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 1.902203277e+02 1.902203277e+02 1.30 1.755396291e+02 1.755396291e+02 1.32 1.619888925e+02 1.619888925e+02 1.34 1.494726769e+02 1.494726769e+02 1.36 1.379041264e+02 1.379041264e+02 1.38 1.272059831e+02 1.272059831e+02 1.40 1.173095202e+02 1.173095202e+02 1.42 1.081524460e+02 1.081524460e+02 1.44 9.967732921e+01 9.967732921e+01 1.46 9.183109122e+01 9.183109122e+01 1.48 8.456516721e+01 8.456516721e+01 1.50 7.783569877e+01 7.783569877e+01 1.52 7.160321899e+01 7.160321899e+01 1.54 6.583181508e+01 6.583181508e+01 1.56 6.048827605e+01 6.048827605e+01 1.58 5.554156174e+01 5.554156174e+01 1.60 5.096253096e+01 5.096253096e+01 1.62 4.672380105e+01 4.672380105e+01 1.64 4.279965033e+01 4.279965033e+01 1.66 3.916588467e+01 3.916588467e+01 1.68 3.579972806e+01 3.579972806e+01 1.70 3.267989594e+01 3.267989594e+01 1.72 2.978684750e+01 2.978684750e+01 1.74 2.710323687e+01 2.710323687e+01 1.76 2.461367738e+01 2.461367738e+01 1.78 2.230414729e+01 2.230414729e+01 1.80 2.016344975e+01 2.016344975e+01 1.82 1.818048633e+01 1.818048633e+01 1.84 1.634450378e+01 1.634450378e+01 1.86 1.464557549e+01 1.464557549e+01 1.88 1.307440468e+01 1.307440468e+01 1.90 1.162211754e+01 1.162211754e+01 1.92 1.028010363e+01 1.028010363e+01 1.94 9.039963743e+00 9.039963743e+00 1.96 7.893592261e+00 7.893592261e+00 1.98 6.833352643e+00 6.833352643e+00 2.00 5.852248884e+00 5.852248884e+00 2.02 4.944011077e+00 4.944011077e+00 2.04 4.103080931e+00 4.103080931e+00 2.06 3.324536275e+00 3.324536275e+00 2.08 2.604001145e+00 2.604001145e+00 2.10 1.937564328e+00 1.937564328e+00 2.12 1.321703192e+00 1.321703192e+00 2.14 7.532052614e-01 7.532052614e-01 2.16 2.290917580e-01 2.290917580e-01 2.18 -2.534464529e-01 -2.534464529e-01 2.20 -6.970937061e-01 -6.970937061e-01 2.22 -1.104436543e+00 -1.104436543e+00 2.24 -1.477974216e+00 -1.477974216e+00 2.26 -1.820112698e+00 -1.820112698e+00 2.28 -2.133143339e+00 -2.133143339e+00 2.30 -2.419211390e+00 -2.419211390e+00 2.32 -2.680286679e+00 -2.680286679e+00 2.34 -2.918143642e+00 -2.918143642e+00 2.36 -3.134358452e+00 -3.134358452e+00 2.38 -3.330323957e+00 -3.330323957e+00 2.40 -3.507280880e+00 -3.507280880e+00 2.42 -3.666358666e+00 -3.666358666e+00 2.44 -3.808616691e+00 -3.808616691e+00 2.46 -3.935078885e+00 -3.935078885e+00 2.48 -4.046757165e+00 -4.046757165e+00 2.50 -4.144662872e+00 -4.144662872e+00 2.52 -4.229807685e+00 -4.229807685e+00 2.54 -4.303197386e+00 -4.303197386e+00 2.56 -4.365822267e+00 -4.365822267e+00 2.58 -4.418679889e+00 -4.418679889e+00 2.60 -4.462783895e+00 -4.462783895e+00 2.62 -4.498890283e+00 -4.498890283e+00 2.64 -4.527693727e+00 -4.527693727e+00 2.66 -4.549828533e+00 -4.549828533e+00 2.68 -4.565850639e+00 -4.565850639e+00 2.70 -4.576228919e+00 -4.576228919e+00 2.72 -4.581347602e+00 -4.581347602e+00 2.74 -4.581478870e+00 -4.581478870e+00 2.76 -4.576665646e+00 -4.576665646e+00 2.78 -4.566911460e+00 -4.566911460e+00 2.80 -4.552439269e+00 -4.552439269e+00 2.82 -4.534000510e+00 -4.534000510e+00 2.84 -4.511445033e+00 -4.511445033e+00 2.86 -4.484600495e+00 -4.484600495e+00 2.88 -4.453381809e+00 -4.453381809e+00 2.90 -4.417782254e+00 -4.417782254e+00 2.92 -4.377871142e+00 -4.377871142e+00 2.94 -4.333785535e+00 -4.333785535e+00 2.96 -4.285730435e+00 -4.285730435e+00 2.98 -4.233979974e+00 -4.233979974e+00 3.00 -4.178853225e+00 -4.178853225e+00 3.02 -4.120706827e+00 -4.120706827e+00 3.04 -4.059920149e+00 -4.059920149e+00 3.06 -3.996824741e+00 -3.996824741e+00 3.08 -3.931729570e+00 -3.931729570e+00 3.10 -3.864945049e+00 -3.864945049e+00 3.12 -3.796764994e+00 -3.796764994e+00 3.14 -3.727454547e+00 -3.727454547e+00 3.16 -3.657245236e+00 -3.657245236e+00 3.18 -3.586337923e+00 -3.586337923e+00 3.20 -3.514910081e+00 -3.514910081e+00 3.22 -3.443124880e+00 -3.443124880e+00 3.24 -3.371139354e+00 -3.371139354e+00 3.26 -3.299109925e+00 -3.299109925e+00 3.28 -3.227194576e+00 -3.227194576e+00 3.30 -3.155551821e+00 -3.155551821e+00 3.32 -3.084337246e+00 -3.084337246e+00 3.34 -3.013698718e+00 -3.013698718e+00 3.36 -2.943771469e+00 -2.943771469e+00 3.38 -2.874674123e+00 -2.874674123e+00 3.40 -2.806506425e+00 -2.806506425e+00 3.42 -2.739349271e+00 -2.739349271e+00 3.44 -2.673266542e+00 -2.673266542e+00 3.46 -2.608308971e+00 -2.608308971e+00 3.48 -2.544518763e+00 -2.544518763e+00 3.50 -2.481934177e+00 -2.481934177e+00 3.52 -2.420592985e+00 -2.420592985e+00 3.54 -2.360533927e+00 -2.360533927e+00 3.56 -2.301795755e+00 -2.301795755e+00 3.58 -2.244414106e+00 -2.244414106e+00 3.60 -2.188417065e+00 -2.188417065e+00 3.62 -2.133820705e+00 -2.133820705e+00 3.64 -2.080625849e+00 -2.080625849e+00 3.66 -2.028816859e+00 -2.028816859e+00 3.68 -1.978362587e+00 -1.978362587e+00 3.70 -1.929219064e+00 -1.929219064e+00 3.72 -1.881333143e+00 -1.881333143e+00 3.74 -1.834646321e+00 -1.834646321e+00 3.76 -1.789098149e+00 -1.789098149e+00 3.78 -1.744628902e+00 -1.744628902e+00 3.80 -1.701181417e+00 -1.701181417e+00 3.82 -1.658702214e+00 -1.658702214e+00 3.84 -1.617142007e+00 -1.617142007e+00 3.86 -1.576455821e+00 -1.576455821e+00 3.88 -1.536602836e+00 -1.536602836e+00 3.90 -1.497546087e+00 -1.497546087e+00 3.92 -1.459252038e+00 -1.459252038e+00 3.94 -1.421690393e+00 -1.421690393e+00 3.96 -1.384833366e+00 -1.384833366e+00 3.98 -1.348655539e+00 -1.348655539e+00 4.00 -1.313133456e+00 -1.313133456e+00 4.02 -1.278245327e+00 -1.278245327e+00 4.04 -1.243970806e+00 -1.243970806e+00 4.06 -1.210290867e+00 -1.210290867e+00 4.08 -1.177187810e+00 -1.177187810e+00 4.10 -1.144645273e+00 -1.144645273e+00 4.12 -1.112649138e+00 -1.112649138e+00 4.14 -1.081187094e+00 -1.081187094e+00 4.16 -1.050249910e+00 -1.050249910e+00 4.18 -1.019831975e+00 -1.019831975e+00 4.20 -9.899320145e-01 -9.899320145e-01 4.22 -9.605537070e-01 -9.605537070e-01 4.24 -9.317060654e-01 -9.317060654e-01 4.26 -9.034034672e-01 -9.034034672e-01 4.28 -8.756652242e-01 -8.756652242e-01 4.30 -8.485146378e-01 -8.485146378e-01 4.32 -8.219775587e-01 -8.219775587e-01 4.34 -7.960805473e-01 -7.960805473e-01 4.36 -7.708488065e-01 -7.708488065e-01 4.38 -7.463041075e-01 -7.463041075e-01 4.40 -7.224629367e-01 -7.224629367e-01 4.42 -6.993350604e-01 -6.993350604e-01 4.44 -6.769226338e-01 -6.769226338e-01 4.46 -6.552198968e-01 -6.552198968e-01 4.48 -6.342134159e-01 -6.342134159e-01 4.50 -6.138827694e-01 -6.138827694e-01 4.52 -5.942015362e-01 -5.942015362e-01 4.54 -5.751384476e-01 -5.751384476e-01 4.56 -5.566585746e-01 -5.566585746e-01 4.58 -5.387244580e-01 -5.387244580e-01 4.60 -5.212971230e-01 -5.212971230e-01 4.62 -5.043369560e-01 -5.043369560e-01 4.64 -4.878044445e-01 -4.878044445e-01 4.66 -4.716608038e-01 -4.716608038e-01 4.68 -4.558685247e-01 -4.558685247e-01 4.70 -4.403918764e-01 -4.403918764e-01 4.72 -4.251974041e-01 -4.251974041e-01 4.74 -4.102544485e-01 -4.102544485e-01 4.76 -3.955357086e-01 -3.955357086e-01 4.78 -3.810178574e-01 -3.810178574e-01 4.80 -3.666821141e-01 -3.666821141e-01 4.82 -3.525152859e-01 -3.525152859e-01 4.84 -3.385098635e-01 -3.385098635e-01 4.86 -3.246649966e-01 -3.246649966e-01 4.88 -3.109868180e-01 -3.109868180e-01 4.90 -2.974886384e-01 -2.974886384e-01 4.92 -2.841908267e-01 -2.841908267e-01 4.94 -2.711203101e-01 -2.711203101e-01 4.96 -2.583096535e-01 -2.583096535e-01 4.98 -2.457957194e-01 -2.457957194e-01 5.00 -2.336179569e-01 -2.336179569e-01 5.02 -2.218164205e-01 -2.218164205e-01 5.04 -2.104296626e-01 -2.104296626e-01 5.06 -1.994926721e-01 -1.994926721e-01 5.08 -1.890350361e-01 -1.890350361e-01 5.10 -1.790794791e-01 -1.790794791e-01 5.12 -1.696408922e-01 -1.696408922e-01 5.14 -1.607259024e-01 -1.607259024e-01 5.16 -1.523329726e-01 -1.523329726e-01 5.18 -1.444529624e-01 -1.444529624e-01 5.20 -1.370700475e-01 -1.370700475e-01 5.22 -1.301628675e-01 -1.301628675e-01 5.24 -1.237057783e-01 -1.237057783e-01 5.26 -1.176701055e-01 -1.176701055e-01 5.28 -1.120253055e-01 -1.120253055e-01 5.30 -1.067398935e-01 -1.067398935e-01 5.32 -1.017820363e-01 -1.017820363e-01 5.34 -9.712129921e-02 -9.712129921e-02 5.36 -9.272834325e-02 -9.272834325e-02 5.38 -8.857518808e-02 -8.857518808e-02 5.40 -8.463548781e-02 -8.463548781e-02 5.42 -8.088468966e-02 -8.088468966e-02 5.44 -7.730010870e-02 -7.730010870e-02 5.46 -7.386094726e-02 -7.386094726e-02 5.48 -7.054828303e-02 -7.054828303e-02 5.50 -6.734504509e-02 -6.734504509e-02 5.52 -6.423599211e-02 -6.423599211e-02 5.54 -6.120770287e-02 -6.120770287e-02 5.56 -5.824858480e-02 -5.824858480e-02 5.58 -5.534890212e-02 -5.534890212e-02 5.60 -5.250082115e-02 -5.250082115e-02 5.62 -4.969846605e-02 -4.969846605e-02 5.64 -4.693797455e-02 -4.693797455e-02 5.66 -4.421753913e-02 -4.421753913e-02 5.68 -4.153741954e-02 -4.153741954e-02 5.70 -3.889990476e-02 -3.889990476e-02 5.72 -3.630921018e-02 -3.630921018e-02 5.74 -3.377129650e-02 -3.377129650e-02 5.76 -3.129360291e-02 -3.129360291e-02 5.78 -2.888469714e-02 -2.888469714e-02 5.80 -2.655384705e-02 -2.655384705e-02 5.82 -2.431054683e-02 -2.431054683e-02 5.84 -2.216402172e-02 -2.216402172e-02 5.86 -2.012274485e-02 -2.012274485e-02 5.88 -1.819400414e-02 -1.819400414e-02 5.90 -1.638355083e-02 -1.638355083e-02 5.92 -1.469521258e-02 -1.469521258e-02 5.94 -1.313071620e-02 -1.313071620e-02 5.96 -1.169043646e-02 -1.169043646e-02 5.98 -1.037288051e-02 -1.037288051e-02 6.00 -9.174837008e-03 -9.174837008e-03