# 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 = CuMg2Pd # 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 2.750046825e+02 2.750046825e+02 1.30 2.543554296e+02 2.543554296e+02 1.32 2.352752237e+02 2.352752237e+02 1.34 2.176380267e+02 2.176380267e+02 1.36 2.013276415e+02 2.013276415e+02 1.38 1.862366467e+02 1.862366467e+02 1.40 1.722659540e+02 1.722659540e+02 1.42 1.593249677e+02 1.593249677e+02 1.44 1.473317925e+02 1.473317925e+02 1.46 1.362127253e+02 1.362127253e+02 1.48 1.259009945e+02 1.259009945e+02 1.50 1.163354508e+02 1.163354508e+02 1.52 1.074597394e+02 1.074597394e+02 1.54 9.922181781e+01 9.922181781e+01 1.56 9.157353658e+01 9.157353658e+01 1.58 8.448156001e+01 8.448156001e+01 1.60 7.791215294e+01 7.791215294e+01 1.62 7.182498976e+01 7.182498976e+01 1.64 6.618383522e+01 6.618383522e+01 1.66 6.095612368e+01 6.095612368e+01 1.68 5.611247997e+01 5.611247997e+01 1.70 5.162608036e+01 5.162608036e+01 1.72 4.747201307e+01 4.747201307e+01 1.74 4.362677647e+01 4.362677647e+01 1.76 4.006800239e+01 4.006800239e+01 1.78 3.677442466e+01 3.677442466e+01 1.80 3.372600155e+01 3.372600155e+01 1.82 3.090404741e+01 3.090404741e+01 1.84 2.829126672e+01 2.829126672e+01 1.86 2.587170403e+01 2.587170403e+01 1.88 2.363066093e+01 2.363066093e+01 1.90 2.155463449e+01 2.155463449e+01 1.92 1.963127979e+01 1.963127979e+01 1.94 1.784937289e+01 1.784937289e+01 1.96 1.619874954e+01 1.619874954e+01 1.98 1.467020466e+01 1.467020466e+01 2.00 1.325535552e+01 1.325535552e+01 2.02 1.194649082e+01 1.194649082e+01 2.04 1.073643655e+01 1.073643655e+01 2.06 9.618457945e+00 9.618457945e+00 2.08 8.586200853e+00 8.586200853e+00 2.10 7.633668412e+00 7.633668412e+00 2.12 6.755218805e+00 6.755218805e+00 2.14 5.945571203e+00 5.945571203e+00 2.16 5.199807757e+00 5.199807757e+00 2.18 4.513361039e+00 4.513361039e+00 2.20 3.881989536e+00 3.881989536e+00 2.22 3.301742885e+00 3.301742885e+00 2.24 2.768929252e+00 2.768929252e+00 2.26 2.280089016e+00 2.280089016e+00 2.28 1.831973468e+00 1.831973468e+00 2.30 1.421533274e+00 1.421533274e+00 2.32 1.045906209e+00 1.045906209e+00 2.34 7.024182939e-01 7.024182939e-01 2.36 3.885854481e-01 3.885854481e-01 2.38 1.021168802e-01 1.021168802e-01 2.40 -1.590902473e-01 -1.590902473e-01 2.42 -3.969685827e-01 -3.969685827e-01 2.44 -6.133052549e-01 -6.133052549e-01 2.46 -8.097764180e-01 -8.097764180e-01 2.48 -9.882578513e-01 -9.882578513e-01 2.50 -1.150228620e+00 -1.150228620e+00 2.52 -1.297089741e+00 -1.297089741e+00 2.54 -1.429880642e+00 -1.429880642e+00 2.56 -1.549388930e+00 -1.549388930e+00 2.58 -1.656356022e+00 -1.656356022e+00 2.60 -1.751473342e+00 -1.751473342e+00 2.62 -1.835390381e+00 -1.835390381e+00 2.64 -1.908753217e+00 -1.908753217e+00 2.66 -1.972221730e+00 -1.972221730e+00 2.68 -2.026463172e+00 -2.026463172e+00 2.70 -2.072151719e+00 -2.072151719e+00 2.72 -2.109946572e+00 -2.109946572e+00 2.74 -2.140485694e+00 -2.140485694e+00 2.76 -2.164376957e+00 -2.164376957e+00 2.78 -2.182188828e+00 -2.182188828e+00 2.80 -2.194445643e+00 -2.194445643e+00 2.82 -2.201625915e+00 -2.201625915e+00 2.84 -2.204169159e+00 -2.204169159e+00 2.86 -2.202485033e+00 -2.202485033e+00 2.88 -2.196963533e+00 -2.196963533e+00 2.90 -2.187982818e+00 -2.187982818e+00 2.92 -2.175912562e+00 -2.175912562e+00 2.94 -2.161112235e+00 -2.161112235e+00 2.96 -2.143925354e+00 -2.143925354e+00 2.98 -2.124671924e+00 -2.124671924e+00 3.00 -2.103641594e+00 -2.103641594e+00 3.02 -2.081089475e+00 -2.081089475e+00 3.04 -2.057235161e+00 -2.057235161e+00 3.06 -2.032266188e+00 -2.032266188e+00 3.08 -2.006340609e+00 -2.006340609e+00 3.10 -1.979606814e+00 -1.979606814e+00 3.12 -1.952204077e+00 -1.952204077e+00 3.14 -1.924202387e+00 -1.924202387e+00 3.16 -1.895663032e+00 -1.895663032e+00 3.18 -1.866645530e+00 -1.866645530e+00 3.20 -1.837207911e+00 -1.837207911e+00 3.22 -1.807407394e+00 -1.807407394e+00 3.24 -1.777301041e+00 -1.777301041e+00 3.26 -1.746945894e+00 -1.746945894e+00 3.28 -1.716377551e+00 -1.716377551e+00 3.30 -1.685595813e+00 -1.685595813e+00 3.32 -1.654608951e+00 -1.654608951e+00 3.34 -1.623435344e+00 -1.623435344e+00 3.36 -1.592100299e+00 -1.592100299e+00 3.38 -1.560633334e+00 -1.560633334e+00 3.40 -1.529066103e+00 -1.529066103e+00 3.42 -1.497431471e+00 -1.497431471e+00 3.44 -1.465762328e+00 -1.465762328e+00 3.46 -1.434091601e+00 -1.434091601e+00 3.48 -1.402451897e+00 -1.402451897e+00 3.50 -1.370875185e+00 -1.370875185e+00 3.52 -1.339392390e+00 -1.339392390e+00 3.54 -1.308032938e+00 -1.308032938e+00 3.56 -1.276824306e+00 -1.276824306e+00 3.58 -1.245791677e+00 -1.245791677e+00 3.60 -1.214957738e+00 -1.214957738e+00 3.62 -1.184342681e+00 -1.184342681e+00 3.64 -1.153964433e+00 -1.153964433e+00 3.66 -1.123839107e+00 -1.123839107e+00 3.68 -1.093981680e+00 -1.093981680e+00 3.70 -1.064406856e+00 -1.064406856e+00 3.72 -1.035130037e+00 -1.035130037e+00 3.74 -1.006168317e+00 -1.006168317e+00 3.76 -9.775413549e-01 -9.775413549e-01 3.78 -9.492719721e-01 -9.492719721e-01 3.80 -9.213863157e-01 -9.213863157e-01 3.82 -8.939134632e-01 -8.939134632e-01 3.84 -8.668844205e-01 -8.668844205e-01 3.86 -8.403305734e-01 -8.403305734e-01 3.88 -8.142817725e-01 -8.142817725e-01 3.90 -7.887643334e-01 -7.887643334e-01 3.92 -7.637990924e-01 -7.637990924e-01 3.94 -7.394009708e-01 -7.394009708e-01 3.96 -7.155772422e-01 -7.155772422e-01 3.98 -6.923286939e-01 -6.923286939e-01 4.00 -6.696503448e-01 -6.696503448e-01 4.02 -6.475328474e-01 -6.475328474e-01 4.04 -6.259640649e-01 -6.259640649e-01 4.06 -6.049305557e-01 -6.049305557e-01 4.08 -5.844187513e-01 -5.844187513e-01 4.10 -5.644151688e-01 -5.644151688e-01 4.12 -5.449089016e-01 -5.449089016e-01 4.14 -5.258879427e-01 -5.258879427e-01 4.16 -5.073412156e-01 -5.073412156e-01 4.18 -4.892573184e-01 -4.892573184e-01 4.20 -4.716239796e-01 -4.716239796e-01 4.22 -4.544277208e-01 -4.544277208e-01 4.24 -4.376538349e-01 -4.376538349e-01 4.26 -4.212867237e-01 -4.212867237e-01 4.28 -4.053105664e-01 -4.053105664e-01 4.30 -3.897102305e-01 -3.897102305e-01 4.32 -3.744722924e-01 -3.744722924e-01 4.34 -3.595860136e-01 -3.595860136e-01 4.36 -3.450441208e-01 -3.450441208e-01 4.38 -3.308432607e-01 -3.308432607e-01 4.40 -3.169840426e-01 -3.169840426e-01 4.42 -3.034706336e-01 -3.034706336e-01 4.44 -2.903099406e-01 -2.903099406e-01 4.46 -2.775104704e-01 -2.775104704e-01 4.48 -2.650810169e-01 -2.650810169e-01 4.50 -2.530293510e-01 -2.530293510e-01 4.52 -2.413610922e-01 -2.413610922e-01 4.54 -2.300789113e-01 -2.300789113e-01 4.56 -2.191821608e-01 -2.191821608e-01 4.58 -2.086669591e-01 -2.086669591e-01 4.60 -1.985266906e-01 -1.985266906e-01 4.62 -1.887528259e-01 -1.887528259e-01 4.64 -1.793359286e-01 -1.793359286e-01 4.66 -1.702667046e-01 -1.702667046e-01 4.68 -1.615369505e-01 -1.615369505e-01 4.70 -1.531402874e-01 -1.531402874e-01 4.72 -1.450725932e-01 -1.450725932e-01 4.74 -1.373320949e-01 -1.373320949e-01 4.76 -1.299191214e-01 -1.299191214e-01 4.78 -1.228355621e-01 -1.228355621e-01 4.80 -1.160837087e-01 -1.160837087e-01 4.82 -1.096670484e-01 -1.096670484e-01 4.84 -1.035867688e-01 -1.035867688e-01 4.86 -9.784281049e-02 -9.784281049e-02 4.88 -9.243278220e-02 -9.243278220e-02 4.90 -8.735158971e-02 -8.735158971e-02 4.92 -8.259131342e-02 -8.259131342e-02 4.94 -7.814131718e-02 -7.814131718e-02 4.96 -7.398852473e-02 -7.398852473e-02 4.98 -7.011786702e-02 -7.011786702e-02 5.00 -6.651279128e-02 -6.651279128e-02 5.02 -6.315578976e-02 -6.315578976e-02 5.04 -6.002890586e-02 -6.002890586e-02 5.06 -5.711418602e-02 -5.711418602e-02 5.08 -5.439377709e-02 -5.439377709e-02 5.10 -5.185023034e-02 -5.185023034e-02 5.12 -4.946794665e-02 -4.946794665e-02 5.14 -4.723227159e-02 -4.723227159e-02 5.16 -4.512957030e-02 -4.512957030e-02 5.18 -4.314730441e-02 -4.314730441e-02 5.20 -4.127405974e-02 -4.127405974e-02 5.22 -3.949953924e-02 -3.949953924e-02 5.24 -3.781453289e-02 -3.781453289e-02 5.26 -3.621087354e-02 -3.621087354e-02 5.28 -3.468138502e-02 -3.468138502e-02 5.30 -3.321982655e-02 -3.321982655e-02 5.32 -3.182083538e-02 -3.182083538e-02 5.34 -3.047986795e-02 -3.047986795e-02 5.36 -2.919313832e-02 -2.919313832e-02 5.38 -2.795755282e-02 -2.795755282e-02 5.40 -2.677063791e-02 -2.677063791e-02 5.42 -2.563046023e-02 -2.563046023e-02 5.44 -2.453553842e-02 -2.453553842e-02 5.46 -2.348474751e-02 -2.348474751e-02 5.48 -2.247721853e-02 -2.247721853e-02 5.50 -2.151223739e-02 -2.151223739e-02 5.52 -2.058914850e-02 -2.058914850e-02 5.54 -1.970726854e-02 -1.970726854e-02 5.56 -1.886581561e-02 -1.886581561e-02 5.58 -1.806385754e-02 -1.806385754e-02 5.60 -1.730028105e-02 -1.730028105e-02 5.62 -1.657378151e-02 -1.657378151e-02 5.64 -1.588287101e-02 -1.588287101e-02 5.66 -1.522590087e-02 -1.522590087e-02 5.68 -1.460109427e-02 -1.460109427e-02 5.70 -1.400658413e-02 -1.400658413e-02 5.72 -1.344045222e-02 -1.344045222e-02 5.74 -1.290076591e-02 -1.290076591e-02 5.76 -1.238559081e-02 -1.238559081e-02 5.78 -1.189305029e-02 -1.189305029e-02 5.80 -1.142134768e-02 -1.142134768e-02 5.82 -1.096876671e-02 -1.096876671e-02 5.84 -1.053368123e-02 -1.053368123e-02 5.86 -1.011456079e-02 -1.011456079e-02 5.88 -9.709972820e-03 -9.709972820e-03 5.90 -9.318582685e-03 -9.318582685e-03 5.92 -8.939152440e-03 -8.939152440e-03 5.94 -8.570539109e-03 -8.570539109e-03 5.96 -8.211693193e-03 -8.211693193e-03 5.98 -7.861657921e-03 -7.861657921e-03 6.00 -7.519569625e-03 -7.519569625e-03