# 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 = Mo2PdZr # 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 3.634322868e+02 3.634322868e+02 1.30 3.375856127e+02 3.375856127e+02 1.32 3.136142154e+02 3.136142154e+02 1.34 2.913643476e+02 2.913643476e+02 1.36 2.706985961e+02 2.706985961e+02 1.38 2.514928059e+02 2.514928059e+02 1.40 2.336336944e+02 2.336336944e+02 1.42 2.170174337e+02 2.170174337e+02 1.44 2.015488631e+02 2.015488631e+02 1.46 1.871411455e+02 1.871411455e+02 1.48 1.737155127e+02 1.737155127e+02 1.50 1.612007824e+02 1.612007824e+02 1.52 1.495325669e+02 1.495325669e+02 1.54 1.386524385e+02 1.386524385e+02 1.56 1.285070150e+02 1.285070150e+02 1.58 1.190471365e+02 1.190471365e+02 1.60 1.102271003e+02 1.102271003e+02 1.62 1.020040059e+02 1.020040059e+02 1.64 9.433721785e+01 9.433721785e+01 1.66 8.718802637e+01 8.718802637e+01 1.68 8.051954105e+01 8.051954105e+01 1.70 7.429678983e+01 7.429678983e+01 1.72 6.848704719e+01 6.848704719e+01 1.74 6.306026346e+01 6.306026346e+01 1.76 5.798942556e+01 5.798942556e+01 1.78 5.325067269e+01 5.325067269e+01 1.80 4.882303078e+01 4.882303078e+01 1.82 4.468783126e+01 4.468783126e+01 1.84 4.082791362e+01 4.082791362e+01 1.86 3.722700345e+01 3.722700345e+01 1.88 3.386971978e+01 3.386971978e+01 1.90 3.074238240e+01 3.074238240e+01 1.92 2.784221327e+01 2.784221327e+01 1.94 2.515882883e+01 2.515882883e+01 1.96 2.267601785e+01 2.267601785e+01 1.98 2.037881381e+01 2.037881381e+01 2.00 1.825341469e+01 1.825341469e+01 2.02 1.628705351e+01 1.628705351e+01 2.04 1.446785313e+01 1.446785313e+01 2.06 1.278468567e+01 1.278468567e+01 2.08 1.122706941e+01 1.122706941e+01 2.10 9.785104880e+00 9.785104880e+00 2.12 8.449502748e+00 8.449502748e+00 2.14 7.211649240e+00 7.211649240e+00 2.16 6.063699002e+00 6.063699002e+00 2.18 4.998627818e+00 4.998627818e+00 2.20 4.010228398e+00 4.010228398e+00 2.22 3.093031683e+00 3.093031683e+00 2.24 2.242199795e+00 2.242199795e+00 2.26 1.453415320e+00 1.453415320e+00 2.28 7.227895033e-01 7.227895033e-01 2.30 4.678491723e-02 4.678491723e-02 2.32 -5.778587426e-01 -5.778587426e-01 2.34 -1.154162880e+00 -1.154162880e+00 2.36 -1.684973446e+00 -1.684973446e+00 2.38 -2.172994630e+00 -2.172994630e+00 2.40 -2.620814917e+00 -2.620814917e+00 2.42 -3.030927768e+00 -3.030927768e+00 2.44 -3.405739124e+00 -3.405739124e+00 2.46 -3.747576867e+00 -3.747576867e+00 2.48 -4.058687514e+00 -4.058687514e+00 2.50 -4.341221462e+00 -4.341221462e+00 2.52 -4.597205439e+00 -4.597205439e+00 2.54 -4.828508122e+00 -4.828508122e+00 2.56 -5.036810243e+00 -5.036810243e+00 2.58 -5.223590881e+00 -5.223590881e+00 2.60 -5.390136023e+00 -5.390136023e+00 2.62 -5.537564745e+00 -5.537564745e+00 2.64 -5.666878719e+00 -5.666878719e+00 2.66 -5.778988129e+00 -5.778988129e+00 2.68 -5.874810539e+00 -5.874810539e+00 2.70 -5.955166910e+00 -5.955166910e+00 2.72 -6.020830365e+00 -6.020830365e+00 2.74 -6.072390538e+00 -6.072390538e+00 2.76 -6.110636128e+00 -6.110636128e+00 2.78 -6.136600059e+00 -6.136600059e+00 2.80 -6.151289617e+00 -6.151289617e+00 2.82 -6.155676199e+00 -6.155676199e+00 2.84 -6.150684357e+00 -6.150684357e+00 2.86 -6.137102172e+00 -6.137102172e+00 2.88 -6.115674728e+00 -6.115674728e+00 2.90 -6.087004359e+00 -6.087004359e+00 2.92 -6.051271949e+00 -6.051271949e+00 2.94 -6.008649280e+00 -6.008649280e+00 2.96 -5.959382665e+00 -5.959382665e+00 2.98 -5.903807620e+00 -5.903807620e+00 3.00 -5.842567886e+00 -5.842567886e+00 3.02 -5.775967686e+00 -5.775967686e+00 3.04 -5.704223224e+00 -5.704223224e+00 3.06 -5.627565593e+00 -5.627565593e+00 3.08 -5.546211043e+00 -5.546211043e+00 3.10 -5.460357942e+00 -5.460357942e+00 3.12 -5.370175083e+00 -5.370175083e+00 3.14 -5.275813429e+00 -5.275813429e+00 3.16 -5.177420788e+00 -5.177420788e+00 3.18 -5.075166944e+00 -5.075166944e+00 3.20 -4.969209465e+00 -4.969209465e+00 3.22 -4.859704195e+00 -4.859704195e+00 3.24 -4.746819733e+00 -4.746819733e+00 3.26 -4.630752413e+00 -4.630752413e+00 3.28 -4.511740369e+00 -4.511740369e+00 3.30 -4.390074878e+00 -4.390074878e+00 3.32 -4.266107405e+00 -4.266107405e+00 3.34 -4.140251568e+00 -4.140251568e+00 3.36 -4.012980328e+00 -4.012980328e+00 3.38 -3.884819416e+00 -3.884819416e+00 3.40 -3.756337017e+00 -3.756337017e+00 3.42 -3.628136452e+00 -3.628136452e+00 3.44 -3.500835540e+00 -3.500835540e+00 3.46 -3.375054897e+00 -3.375054897e+00 3.48 -3.251397864e+00 -3.251397864e+00 3.50 -3.130430432e+00 -3.130430432e+00 3.52 -3.012661612e+00 -3.012661612e+00 3.54 -2.898526307e+00 -2.898526307e+00 3.56 -2.788372514e+00 -2.788372514e+00 3.58 -2.682454052e+00 -2.682454052e+00 3.60 -2.580929239e+00 -2.580929239e+00 3.62 -2.483865103e+00 -2.483865103e+00 3.64 -2.391246143e+00 -2.391246143e+00 3.66 -2.302986326e+00 -2.302986326e+00 3.68 -2.218942929e+00 -2.218942929e+00 3.70 -2.138930957e+00 -2.138930957e+00 3.72 -2.062737141e+00 -2.062737141e+00 3.74 -1.990132779e+00 -1.990132779e+00 3.76 -1.920884940e+00 -1.920884940e+00 3.78 -1.854765744e+00 -1.854765744e+00 3.80 -1.791559522e+00 -1.791559522e+00 3.82 -1.731067762e+00 -1.731067762e+00 3.84 -1.673111794e+00 -1.673111794e+00 3.86 -1.617533273e+00 -1.617533273e+00 3.88 -1.564192728e+00 -1.564192728e+00 3.90 -1.512966636e+00 -1.512966636e+00 3.92 -1.463742305e+00 -1.463742305e+00 3.94 -1.416420086e+00 -1.416420086e+00 3.96 -1.370900985e+00 -1.370900985e+00 3.98 -1.327091457e+00 -1.327091457e+00 4.00 -1.284901099e+00 -1.284901099e+00 4.02 -1.244243219e+00 -1.244243219e+00 4.04 -1.205036067e+00 -1.205036067e+00 4.06 -1.167204240e+00 -1.167204240e+00 4.08 -1.130679806e+00 -1.130679806e+00 4.10 -1.095397583e+00 -1.095397583e+00 4.12 -1.061316928e+00 -1.061316928e+00 4.14 -1.028386162e+00 -1.028386162e+00 4.16 -9.965655729e-01 -9.965655729e-01 4.18 -9.658191940e-01 -9.658191940e-01 4.20 -9.361130459e-01 -9.361130459e-01 4.22 -9.074135773e-01 -9.074135773e-01 4.24 -8.796864786e-01 -8.796864786e-01 4.26 -8.528959511e-01 -8.528959511e-01 4.28 -8.270044330e-01 -8.270044330e-01 4.30 -8.019727140e-01 -8.019727140e-01 4.32 -7.777603337e-01 -7.777603337e-01 4.34 -7.543261223e-01 -7.543261223e-01 4.36 -7.316285782e-01 -7.316285782e-01 4.38 -7.096271676e-01 -7.096271676e-01 4.40 -6.882824200e-01 -6.882824200e-01 4.42 -6.675562215e-01 -6.675562215e-01 4.44 -6.474121976e-01 -6.474121976e-01 4.46 -6.278159962e-01 -6.278159962e-01 4.48 -6.087355025e-01 -6.087355025e-01 4.50 -5.901410153e-01 -5.901410153e-01 4.52 -5.720054125e-01 -5.720054125e-01 4.54 -5.543043234e-01 -5.543043234e-01 4.56 -5.370163179e-01 -5.370163179e-01 4.58 -5.201231134e-01 -5.201231134e-01 4.60 -5.036097873e-01 -5.036097873e-01 4.62 -4.874649740e-01 -4.874649740e-01 4.64 -4.716810157e-01 -4.716810157e-01 4.66 -4.562540293e-01 -4.562540293e-01 4.68 -4.411838480e-01 -4.411838480e-01 4.70 -4.264738028e-01 -4.264738028e-01 4.72 -4.121303150e-01 -4.121303150e-01 4.74 -3.981622938e-01 -3.981622938e-01 4.76 -3.845803512e-01 -3.845803512e-01 4.78 -3.713958767e-01 -3.713958767e-01 4.80 -3.586168569e-01 -3.586168569e-01 4.82 -3.462601244e-01 -3.462601244e-01 4.84 -3.343296656e-01 -3.343296656e-01 4.86 -3.228304119e-01 -3.228304119e-01 4.88 -3.117638849e-01 -3.117638849e-01 4.90 -3.011279294e-01 -3.011279294e-01 4.92 -2.909167015e-01 -2.909167015e-01 4.94 -2.811208844e-01 -2.811208844e-01 4.96 -2.717280854e-01 -2.717280854e-01 4.98 -2.627233549e-01 -2.627233549e-01 5.00 -2.540897691e-01 -2.540897691e-01 5.02 -2.458090219e-01 -2.458090219e-01 5.04 -2.378619844e-01 -2.378619844e-01 5.06 -2.302292022e-01 -2.302292022e-01 5.08 -2.228913151e-01 -2.228913151e-01 5.10 -2.158293931e-01 -2.158293931e-01 5.12 -2.090251933e-01 -2.090251933e-01 5.14 -2.024613453e-01 -2.024613453e-01 5.16 -1.961214791e-01 -1.961214791e-01 5.18 -1.899903073e-01 -1.899903073e-01 5.20 -1.840536765e-01 -1.840536765e-01 5.22 -1.782985979e-01 -1.782985979e-01 5.24 -1.727132668e-01 -1.727132668e-01 5.26 -1.672870792e-01 -1.672870792e-01 5.28 -1.620106474e-01 -1.620106474e-01 5.30 -1.568758172e-01 -1.568758172e-01 5.32 -1.518756828e-01 -1.518756828e-01 5.34 -1.470045963e-01 -1.470045963e-01 5.36 -1.422581615e-01 -1.422581615e-01 5.38 -1.376332050e-01 -1.376332050e-01 5.40 -1.331277154e-01 -1.331277154e-01 5.42 -1.287407417e-01 -1.287407417e-01 5.44 -1.244722453e-01 -1.244722453e-01 5.46 -1.203229061e-01 -1.203229061e-01 5.48 -1.162938912e-01 -1.162938912e-01 5.50 -1.123865917e-01 -1.123865917e-01 5.52 -1.086023486e-01 -1.086023486e-01 5.54 -1.049421894e-01 -1.049421894e-01 5.56 -1.014065951e-01 -1.014065951e-01 5.58 -9.799531558e-02 -9.799531558e-02 5.60 -9.470719183e-02 -9.470719183e-02 5.62 -9.154017645e-02 -9.154017645e-02 5.64 -8.849138972e-02 -8.849138972e-02 5.66 -8.555708543e-02 -8.555708543e-02 5.68 -8.273275612e-02 -8.273275612e-02 5.70 -8.001326577e-02 -8.001326577e-02 5.72 -7.739299471e-02 -7.739299471e-02 5.74 -7.486598389e-02 -7.486598389e-02 5.76 -7.242606862e-02 -7.242606862e-02 5.78 -7.006699546e-02 -7.006699546e-02 5.80 -6.778251913e-02 -6.778251913e-02 5.82 -6.556647889e-02 -6.556647889e-02 5.84 -6.341285599e-02 -6.341285599e-02 5.86 -6.131581505e-02 -6.131581505e-02 5.88 -5.926973284e-02 -5.926973284e-02 5.90 -5.726921855e-02 -5.726921855e-02 5.92 -5.530912915e-02 -5.530912915e-02 5.94 -5.338458348e-02 -5.338458348e-02 5.96 -5.149097810e-02 -5.149097810e-02 5.98 -4.962400755e-02 -4.962400755e-02 6.00 -4.777969258e-02 -4.777969258e-02