# 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 = PbPd2Ta # 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 4.200883841e+02 4.200883841e+02 1.30 3.915208891e+02 3.915208891e+02 1.32 3.649669983e+02 3.649669983e+02 1.34 3.402671444e+02 3.402671444e+02 1.36 3.172724099e+02 3.172724099e+02 1.38 2.958459467e+02 2.958459467e+02 1.40 2.758641999e+02 2.758641999e+02 1.42 2.572167496e+02 2.572167496e+02 1.44 2.398052625e+02 2.398052625e+02 1.46 2.235424739e+02 2.235424739e+02 1.48 2.083510615e+02 2.083510615e+02 1.50 1.941616929e+02 1.941616929e+02 1.52 1.809103045e+02 1.809103045e+02 1.54 1.685356055e+02 1.685356055e+02 1.56 1.569778080e+02 1.569778080e+02 1.58 1.461787150e+02 1.461787150e+02 1.60 1.360825930e+02 1.360825930e+02 1.62 1.266370957e+02 1.266370957e+02 1.64 1.177938416e+02 1.177938416e+02 1.66 1.095086125e+02 1.095086125e+02 1.68 1.017412493e+02 1.017412493e+02 1.70 9.445527336e+01 9.445527336e+01 1.72 8.761730297e+01 8.761730297e+01 1.74 8.119644444e+01 8.119644444e+01 1.76 7.516535807e+01 7.516535807e+01 1.78 6.950064283e+01 6.950064283e+01 1.80 6.417718255e+01 6.417718255e+01 1.82 5.917996809e+01 5.917996809e+01 1.84 5.451510715e+01 5.451510715e+01 1.86 5.016497492e+01 5.016497492e+01 1.88 4.610966146e+01 4.610966146e+01 1.90 4.233109315e+01 4.233109315e+01 1.92 3.881271263e+01 3.881271263e+01 1.94 3.553918142e+01 3.553918142e+01 1.96 3.249611696e+01 3.249611696e+01 1.98 2.966983908e+01 2.966983908e+01 2.00 2.704714241e+01 2.704714241e+01 2.02 2.461513208e+01 2.461513208e+01 2.04 2.236115676e+01 2.236115676e+01 2.06 2.027285175e+01 2.027285175e+01 2.08 1.833826534e+01 1.833826534e+01 2.10 1.654602246e+01 1.654602246e+01 2.12 1.488546928e+01 1.488546928e+01 2.14 1.334677034e+01 1.334677034e+01 2.16 1.192094191e+01 1.192094191e+01 2.18 1.059982938e+01 1.059982938e+01 2.20 9.376040808e+00 9.376040808e+00 2.22 8.242860062e+00 8.242860062e+00 2.24 7.194150397e+00 7.194150397e+00 2.26 6.224260084e+00 6.224260084e+00 2.28 5.327932875e+00 5.327932875e+00 2.30 4.500234248e+00 4.500234248e+00 2.32 3.736488570e+00 3.736488570e+00 2.34 3.032240618e+00 3.032240618e+00 2.36 2.383238795e+00 2.383238795e+00 2.38 1.785440367e+00 1.785440367e+00 2.40 1.235031009e+00 1.235031009e+00 2.42 7.284809257e-01 7.284809257e-01 2.44 2.626038496e-01 2.626038496e-01 2.46 -1.657841913e-01 -1.657841913e-01 2.48 -5.595977033e-01 -5.595977033e-01 2.50 -9.214654496e-01 -9.214654496e-01 2.52 -1.253759329e+00 -1.253759329e+00 2.54 -1.558619446e+00 -1.558619446e+00 2.56 -1.837936541e+00 -1.837936541e+00 2.58 -2.093204259e+00 -2.093204259e+00 2.60 -2.325760885e+00 -2.325760885e+00 2.62 -2.536890455e+00 -2.536890455e+00 2.64 -2.727819236e+00 -2.727819236e+00 2.66 -2.899713949e+00 -2.899713949e+00 2.68 -3.053686528e+00 -3.053686528e+00 2.70 -3.190796897e+00 -3.190796897e+00 2.72 -3.312055481e+00 -3.312055481e+00 2.74 -3.418425024e+00 -3.418425024e+00 2.76 -3.510822313e+00 -3.510822313e+00 2.78 -3.590120419e+00 -3.590120419e+00 2.80 -3.657152536e+00 -3.657152536e+00 2.82 -3.712716370e+00 -3.712716370e+00 2.84 -3.757580525e+00 -3.757580525e+00 2.86 -3.792789474e+00 -3.792789474e+00 2.88 -3.819409756e+00 -3.819409756e+00 2.90 -3.837883276e+00 -3.837883276e+00 2.92 -3.848672102e+00 -3.848672102e+00 2.94 -3.852258892e+00 -3.852258892e+00 2.96 -3.849134020e+00 -3.849134020e+00 2.98 -3.839781579e+00 -3.839781579e+00 3.00 -3.824666476e+00 -3.824666476e+00 3.02 -3.804224872e+00 -3.804224872e+00 3.04 -3.778880789e+00 -3.778880789e+00 3.06 -3.749075379e+00 -3.749075379e+00 3.08 -3.715202794e+00 -3.715202794e+00 3.10 -3.677611272e+00 -3.677611272e+00 3.12 -3.636608575e+00 -3.636608575e+00 3.14 -3.592471343e+00 -3.592471343e+00 3.16 -3.545447504e+00 -3.545447504e+00 3.18 -3.495764630e+00 -3.495764630e+00 3.20 -3.443634053e+00 -3.443634053e+00 3.22 -3.389255152e+00 -3.389255152e+00 3.24 -3.332837814e+00 -3.332837814e+00 3.26 -3.274606995e+00 -3.274606995e+00 3.28 -3.214663309e+00 -3.214663309e+00 3.30 -3.153118017e+00 -3.153118017e+00 3.32 -3.090108744e+00 -3.090108744e+00 3.34 -3.025798784e+00 -3.025798784e+00 3.36 -2.960363983e+00 -2.960363983e+00 3.38 -2.893967400e+00 -2.893967400e+00 3.40 -2.826785896e+00 -2.826785896e+00 3.42 -2.759007884e+00 -2.759007884e+00 3.44 -2.690820761e+00 -2.690820761e+00 3.46 -2.622401167e+00 -2.622401167e+00 3.48 -2.553906641e+00 -2.553906641e+00 3.50 -2.485470355e+00 -2.485470355e+00 3.52 -2.417198838e+00 -2.417198838e+00 3.54 -2.349172479e+00 -2.349172479e+00 3.56 -2.281448305e+00 -2.281448305e+00 3.58 -2.214064455e+00 -2.214064455e+00 3.60 -2.147045811e+00 -2.147045811e+00 3.62 -2.080410234e+00 -2.080410234e+00 3.64 -2.014174981e+00 -2.014174981e+00 3.66 -1.948362892e+00 -1.948362892e+00 3.68 -1.883007952e+00 -1.883007952e+00 3.70 -1.818159882e+00 -1.818159882e+00 3.72 -1.753887405e+00 -1.753887405e+00 3.74 -1.690279883e+00 -1.690279883e+00 3.76 -1.627447139e+00 -1.627447139e+00 3.78 -1.565517367e+00 -1.565517367e+00 3.80 -1.504633259e+00 -1.504633259e+00 3.82 -1.444946591e+00 -1.444946591e+00 3.84 -1.386611750e+00 -1.386611750e+00 3.86 -1.329778729e+00 -1.329778729e+00 3.88 -1.274586269e+00 -1.274586269e+00 3.90 -1.221155741e+00 -1.221155741e+00 3.92 -1.169585855e+00 -1.169585855e+00 3.94 -1.119951511e+00 -1.119951511e+00 3.96 -1.072299398e+00 -1.072299398e+00 3.98 -1.026650757e+00 -1.026650757e+00 4.00 -9.830029407e-01 -9.830029407e-01 4.02 -9.413327536e-01 -9.413327536e-01 4.04 -9.016004714e-01 -9.016004714e-01 4.06 -8.637540374e-01 -8.637540374e-01 4.08 -8.277329542e-01 -8.277329542e-01 4.10 -7.934705283e-01 -7.934705283e-01 4.12 -7.609003022e-01 -7.609003022e-01 4.14 -7.299510136e-01 -7.299510136e-01 4.16 -7.005516875e-01 -7.005516875e-01 4.18 -6.726303994e-01 -6.726303994e-01 4.20 -6.461139143e-01 -6.461139143e-01 4.22 -6.209272883e-01 -6.209272883e-01 4.24 -5.969936584e-01 -5.969936584e-01 4.26 -5.742343500e-01 -5.742343500e-01 4.28 -5.525693329e-01 -5.525693329e-01 4.30 -5.319179699e-01 -5.319179699e-01 4.32 -5.121999514e-01 -5.121999514e-01 4.34 -4.933362909e-01 -4.933362909e-01 4.36 -4.752502748e-01 -4.752502748e-01 4.38 -4.578682847e-01 -4.578682847e-01 4.40 -4.411204559e-01 -4.411204559e-01 4.42 -4.249411654e-01 -4.249411654e-01 4.44 -4.092693737e-01 -4.092693737e-01 4.46 -3.940488608e-01 -3.940488608e-01 4.48 -3.792284029e-01 -3.792284029e-01 4.50 -3.647619372e-01 -3.647619372e-01 4.52 -3.506087548e-01 -3.506087548e-01 4.54 -3.367337480e-01 -3.367337480e-01 4.56 -3.231077248e-01 -3.231077248e-01 4.58 -3.097077826e-01 -3.097077826e-01 4.60 -2.965177146e-01 -2.965177146e-01 4.62 -2.835283999e-01 -2.835283999e-01 4.64 -2.707381106e-01 -2.707381106e-01 4.66 -2.581526554e-01 -2.581526554e-01 4.68 -2.457852719e-01 -2.457852719e-01 4.70 -2.336561902e-01 -2.336561902e-01 4.72 -2.217918064e-01 -2.217918064e-01 4.74 -2.102234485e-01 -2.102234485e-01 4.76 -1.989857584e-01 -1.989857584e-01 4.78 -1.881147740e-01 -1.881147740e-01 4.80 -1.776450695e-01 -1.776450695e-01 4.82 -1.676108877e-01 -1.676108877e-01 4.84 -1.580392022e-01 -1.580392022e-01 4.86 -1.489516635e-01 -1.489516635e-01 4.88 -1.403625908e-01 -1.403625908e-01 4.90 -1.322784173e-01 -1.322784173e-01 4.92 -1.246976882e-01 -1.246976882e-01 4.94 -1.176115449e-01 -1.176115449e-01 4.96 -1.110045927e-01 -1.110045927e-01 4.98 -1.048560312e-01 -1.048560312e-01 5.00 -9.914092887e-02 -9.914092887e-02 5.02 -9.383152041e-02 -9.383152041e-02 5.04 -8.889798305e-02 -8.889798305e-02 5.06 -8.431027496e-02 -8.431027496e-02 5.08 -8.003944060e-02 -8.003944060e-02 5.10 -7.605741841e-02 -7.605741841e-02 5.12 -7.233768752e-02 -7.233768752e-02 5.14 -6.885571328e-02 -6.885571328e-02 5.16 -6.558921652e-02 -6.558921652e-02 5.18 -6.251829565e-02 -6.251829565e-02 5.20 -5.962542604e-02 -5.962542604e-02 5.22 -5.689536786e-02 -5.689536786e-02 5.24 -5.431500227e-02 -5.431500227e-02 5.26 -5.187311574e-02 -5.187311574e-02 5.28 -4.956015049e-02 -4.956015049e-02 5.30 -4.736789037e-02 -4.736789037e-02 5.32 -4.528919330e-02 -4.528919330e-02 5.34 -4.331793429e-02 -4.331793429e-02 5.36 -4.144860469e-02 -4.144860469e-02 5.38 -3.967610286e-02 -3.967610286e-02 5.40 -3.799557357e-02 -3.799557357e-02 5.42 -3.640228742e-02 -3.640228742e-02 5.44 -3.489155973e-02 -3.489155973e-02 5.46 -3.345870549e-02 -3.345870549e-02 5.48 -3.209902468e-02 -3.209902468e-02 5.50 -3.080781092e-02 -3.080781092e-02 5.52 -2.958037636e-02 -2.958037636e-02 5.54 -2.841208608e-02 -2.841208608e-02 5.56 -2.729839618e-02 -2.729839618e-02 5.58 -2.623489123e-02 -2.623489123e-02 5.60 -2.521731794e-02 -2.521731794e-02 5.62 -2.424161345e-02 -2.424161345e-02 5.64 -2.330392825e-02 -2.330392825e-02 5.66 -2.240064186e-02 -2.240064186e-02 5.68 -2.152837376e-02 -2.152837376e-02 5.70 -2.068399019e-02 -2.068399019e-02 5.72 -1.986460798e-02 -1.986460798e-02 5.74 -1.906759652e-02 -1.906759652e-02 5.76 -1.829057893e-02 -1.829057893e-02 5.78 -1.753143332e-02 -1.753143332e-02 5.80 -1.678829468e-02 -1.678829468e-02 5.82 -1.605955769e-02 -1.605955769e-02 5.84 -1.534388054e-02 -1.534388054e-02 5.86 -1.464018932e-02 -1.464018932e-02 5.88 -1.394768254e-02 -1.394768254e-02 5.90 -1.326583477e-02 -1.326583477e-02 5.92 -1.259439837e-02 -1.259439837e-02 5.94 -1.193339479e-02 -1.193339479e-02 5.96 -1.128308217e-02 -1.128308217e-02 5.98 -1.064402119e-02 -1.064402119e-02 6.00 -1.001702020e-02 -1.001702020e-02