# 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 = Al2PdPt # 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 2.001085480e+02 2.001085480e+02 1.30 1.863524957e+02 1.863524957e+02 1.32 1.735076748e+02 1.735076748e+02 1.34 1.615082057e+02 1.615082057e+02 1.36 1.502963470e+02 1.502963470e+02 1.38 1.398155352e+02 1.398155352e+02 1.40 1.300085071e+02 1.300085071e+02 1.42 1.208203842e+02 1.208203842e+02 1.44 1.122030796e+02 1.122030796e+02 1.46 1.041183121e+02 1.041183121e+02 1.48 9.653707668e+01 9.653707668e+01 1.50 8.943488348e+01 8.943488348e+01 1.52 8.278577152e+01 8.278577152e+01 1.54 7.655930833e+01 7.655930833e+01 1.56 7.072156706e+01 7.072156706e+01 1.58 6.523800321e+01 6.523800321e+01 1.60 6.007616630e+01 6.007616630e+01 1.62 5.520761402e+01 5.520761402e+01 1.64 5.060915014e+01 5.060915014e+01 1.66 4.627605808e+01 4.627605808e+01 1.68 4.225855007e+01 4.225855007e+01 1.70 3.854722639e+01 3.854722639e+01 1.72 3.512572584e+01 3.512572584e+01 1.74 3.197439741e+01 3.197439741e+01 1.76 2.907189457e+01 2.907189457e+01 1.78 2.639662330e+01 2.639662330e+01 1.80 2.392789775e+01 2.392789775e+01 1.82 2.164697565e+01 2.164697565e+01 1.84 1.953757769e+01 1.953757769e+01 1.86 1.758580871e+01 1.758580871e+01 1.88 1.577968051e+01 1.577968051e+01 1.90 1.410854509e+01 1.410854509e+01 1.92 1.256268870e+01 1.256268870e+01 1.94 1.113317412e+01 1.113317412e+01 1.96 9.811847341e+00 9.811847341e+00 1.98 8.591341957e+00 8.591341957e+00 2.00 7.464967268e+00 7.464967268e+00 2.02 6.426499040e+00 6.426499040e+00 2.04 5.469982735e+00 5.469982735e+00 2.06 4.589635999e+00 4.589635999e+00 2.08 3.779850640e+00 3.779850640e+00 2.10 3.035240178e+00 3.035240178e+00 2.12 2.350687249e+00 2.350687249e+00 2.14 1.721378698e+00 1.721378698e+00 2.16 1.142835631e+00 1.142835631e+00 2.18 6.109440647e-01 6.109440647e-01 2.20 1.219819510e-01 1.219819510e-01 2.22 -3.273669161e-01 -3.273669161e-01 2.24 -7.400187482e-01 -7.400187482e-01 2.26 -1.118515331e+00 -1.118515331e+00 2.28 -1.465064166e+00 -1.465064166e+00 2.30 -1.781586804e+00 -1.781586804e+00 2.32 -2.069770913e+00 -2.069770913e+00 2.34 -2.331123214e+00 -2.331123214e+00 2.36 -2.567021477e+00 -2.567021477e+00 2.38 -2.778762943e+00 -2.778762943e+00 2.40 -2.967606130e+00 -2.967606130e+00 2.42 -3.135001378e+00 -3.135001378e+00 2.44 -3.283251430e+00 -3.283251430e+00 2.46 -3.413532150e+00 -3.413532150e+00 2.48 -3.526894918e+00 -3.526894918e+00 2.50 -3.624466583e+00 -3.624466583e+00 2.52 -3.707438305e+00 -3.707438305e+00 2.54 -3.777051914e+00 -3.777051914e+00 2.56 -3.834584031e+00 -3.834584031e+00 2.58 -3.881326608e+00 -3.881326608e+00 2.60 -3.918560562e+00 -3.918560562e+00 2.62 -3.947518916e+00 -3.947518916e+00 2.64 -3.969339655e+00 -3.969339655e+00 2.66 -3.985015424e+00 -3.985015424e+00 2.68 -3.995353204e+00 -3.995353204e+00 2.70 -4.000992016e+00 -4.000992016e+00 2.72 -4.002594976e+00 -4.002594976e+00 2.74 -4.000330768e+00 -4.000330768e+00 2.76 -3.994200144e+00 -3.994200144e+00 2.78 -3.984488824e+00 -3.984488824e+00 2.80 -3.971971874e+00 -3.971971874e+00 2.82 -3.956289071e+00 -3.956289071e+00 2.84 -3.937094870e+00 -3.937094870e+00 2.86 -3.914144905e+00 -3.914144905e+00 2.88 -3.887298503e+00 -3.887298503e+00 2.90 -3.856526458e+00 -3.856526458e+00 2.92 -3.821926239e+00 -3.821926239e+00 2.94 -3.783699640e+00 -3.783699640e+00 2.96 -3.742137280e+00 -3.742137280e+00 2.98 -3.697612167e+00 -3.697612167e+00 3.00 -3.650564344e+00 -3.650564344e+00 3.02 -3.601456815e+00 -3.601456815e+00 3.04 -3.550748150e+00 -3.550748150e+00 3.06 -3.498869671e+00 -3.498869671e+00 3.08 -3.446207251e+00 -3.446207251e+00 3.10 -3.393088617e+00 -3.393088617e+00 3.12 -3.339776114e+00 -3.339776114e+00 3.14 -3.286464933e+00 -3.286464933e+00 3.16 -3.233286275e+00 -3.233286275e+00 3.18 -3.180315004e+00 -3.180315004e+00 3.20 -3.127580260e+00 -3.127580260e+00 3.22 -3.075077482e+00 -3.075077482e+00 3.24 -3.022780244e+00 -3.022780244e+00 3.26 -2.970650717e+00 -2.970650717e+00 3.28 -2.918648119e+00 -2.918648119e+00 3.30 -2.866736737e+00 -2.866736737e+00 3.32 -2.814910040e+00 -2.814910040e+00 3.34 -2.763182084e+00 -2.763182084e+00 3.36 -2.711572150e+00 -2.711572150e+00 3.38 -2.660105894e+00 -2.660105894e+00 3.40 -2.608815846e+00 -2.608815846e+00 3.42 -2.557741175e+00 -2.557741175e+00 3.44 -2.506926860e+00 -2.506926860e+00 3.46 -2.456422484e+00 -2.456422484e+00 3.48 -2.406280720e+00 -2.406280720e+00 3.50 -2.356555652e+00 -2.356555652e+00 3.52 -2.307301018e+00 -2.307301018e+00 3.54 -2.258568477e+00 -2.258568477e+00 3.56 -2.210405986e+00 -2.210405986e+00 3.58 -2.162856339e+00 -2.162856339e+00 3.60 -2.115955925e+00 -2.115955925e+00 3.62 -2.069733733e+00 -2.069733733e+00 3.64 -2.024210616e+00 -2.024210616e+00 3.66 -1.979398833e+00 -1.979398833e+00 3.68 -1.935301859e+00 -1.935301859e+00 3.70 -1.891914479e+00 -1.891914479e+00 3.72 -1.849223152e+00 -1.849223152e+00 3.74 -1.807206634e+00 -1.807206634e+00 3.76 -1.765836839e+00 -1.765836839e+00 3.78 -1.725079903e+00 -1.725079903e+00 3.80 -1.684897400e+00 -1.684897400e+00 3.82 -1.645247652e+00 -1.645247652e+00 3.84 -1.606087059e+00 -1.606087059e+00 3.86 -1.567371407e+00 -1.567371407e+00 3.88 -1.529057075e+00 -1.529057075e+00 3.90 -1.491102128e+00 -1.491102128e+00 3.92 -1.453467268e+00 -1.453467268e+00 3.94 -1.416116683e+00 -1.416116683e+00 3.96 -1.379018721e+00 -1.379018721e+00 3.98 -1.342146576e+00 -1.342146576e+00 4.00 -1.305478896e+00 -1.305478896e+00 4.02 -1.269000420e+00 -1.269000420e+00 4.04 -1.232702638e+00 -1.232702638e+00 4.06 -1.196584489e+00 -1.196584489e+00 4.08 -1.160653056e+00 -1.160653056e+00 4.10 -1.124924194e+00 -1.124924194e+00 4.12 -1.089423113e+00 -1.089423113e+00 4.14 -1.054184545e+00 -1.054184545e+00 4.16 -1.019252768e+00 -1.019252768e+00 4.18 -9.846811232e-01 -9.846811232e-01 4.20 -9.505310676e-01 -9.505310676e-01 4.22 -9.168707197e-01 -9.168707197e-01 4.24 -8.837729106e-01 -8.837729106e-01 4.26 -8.513127820e-01 -8.513127820e-01 4.28 -8.195650117e-01 -8.195650117e-01 4.30 -7.886007782e-01 -7.886007782e-01 4.32 -7.584846116e-01 -7.584846116e-01 4.34 -7.292713118e-01 -7.292713118e-01 4.36 -7.010031523e-01 -7.010031523e-01 4.38 -6.737075955e-01 -6.737075955e-01 4.40 -6.473957340e-01 -6.473957340e-01 4.42 -6.220616119e-01 -6.220616119e-01 4.44 -5.976824933e-01 -5.976824933e-01 4.46 -5.742200429e-01 -5.742200429e-01 4.48 -5.516222855e-01 -5.516222855e-01 4.50 -5.298261474e-01 -5.298261474e-01 4.52 -5.087603530e-01 -5.087603530e-01 4.54 -4.883484613e-01 -4.883484613e-01 4.56 -4.685118648e-01 -4.685118648e-01 4.58 -4.491726233e-01 -4.491726233e-01 4.60 -4.302560585e-01 -4.302560585e-01 4.62 -4.116930732e-01 -4.116930732e-01 4.64 -3.934221855e-01 -3.934221855e-01 4.66 -3.753912756e-01 -3.753912756e-01 4.68 -3.575590405e-01 -3.575590405e-01 4.70 -3.398961360e-01 -3.398961360e-01 4.72 -3.223859748e-01 -3.223859748e-01 4.74 -3.050251346e-01 -3.050251346e-01 4.76 -2.878233284e-01 -2.878233284e-01 4.78 -2.708028979e-01 -2.708028979e-01 4.80 -2.539977972e-01 -2.539977972e-01 4.82 -2.374521479e-01 -2.374521479e-01 4.84 -2.212182309e-01 -2.212182309e-01 4.86 -2.053542465e-01 -2.053542465e-01 4.88 -1.899217688e-01 -1.899217688e-01 4.90 -1.749831100e-01 -1.749831100e-01 4.92 -1.605987287e-01 -1.605987287e-01 4.94 -1.468248170e-01 -1.468248170e-01 4.96 -1.337111890e-01 -1.337111890e-01 4.98 -1.212995553e-01 -1.212995553e-01 5.00 -1.096222451e-01 -1.096222451e-01 5.02 -9.870140086e-02 -9.870140086e-02 5.04 -8.854864072e-02 -8.854864072e-02 5.06 -7.916518616e-02 -7.916518616e-02 5.08 -7.054236785e-02 -7.054236785e-02 5.10 -6.266248179e-02 -6.266248179e-02 5.12 -5.549989784e-02 -5.549989784e-02 5.14 -4.902238985e-02 -4.902238985e-02 5.16 -4.319255209e-02 -4.319255209e-02 5.18 -3.796921767e-02 -3.796921767e-02 5.20 -3.330837788e-02 -3.330837788e-02 5.22 -2.916545710e-02 -2.916545710e-02 5.24 -2.549609830e-02 -2.549609830e-02 5.26 -2.225665341e-02 -2.225665341e-02 5.28 -1.940499415e-02 -1.940499415e-02 5.30 -1.690113169e-02 -1.690113169e-02 5.32 -1.470760694e-02 -1.470760694e-02 5.34 -1.278973620e-02 -1.278973620e-02 5.36 -1.111573496e-02 -1.111573496e-02 5.38 -9.657204393e-03 -9.657204393e-03 5.40 -8.388004970e-03 -8.388004970e-03 5.42 -7.284439824e-03 -7.284439824e-03 5.44 -6.325545416e-03 -6.325545416e-03 5.46 -5.492826442e-03 -5.492826442e-03 5.48 -4.770007665e-03 -4.770007665e-03 5.50 -4.142802444e-03 -4.142802444e-03 5.52 -3.598698050e-03 -3.598698050e-03 5.54 -3.126757849e-03 -3.126757849e-03 5.56 -2.717440276e-03 -2.717440276e-03 5.58 -2.362434310e-03 -2.362434310e-03 5.60 -2.054510935e-03 -2.054510935e-03 5.62 -1.787389834e-03 -1.787389834e-03 5.64 -1.555620421e-03 -1.555620421e-03 5.66 -1.354476200e-03 -1.354476200e-03 5.68 -1.179861365e-03 -1.179861365e-03 5.70 -1.028228556e-03 -1.028228556e-03 5.72 -8.965066657e-04 -8.965066657e-04 5.74 -7.820376785e-04 -7.820376785e-04 5.76 -6.825215319e-04 -6.825215319e-04 5.78 -5.959680990e-04 -5.959680990e-04 5.80 -5.206554447e-04 -5.206554447e-04 5.82 -4.550935937e-04 -4.550935937e-04 5.84 -3.979931229e-04 -3.979931229e-04 5.86 -3.482379654e-04 -3.482379654e-04 5.88 -3.048618818e-04 -3.048618818e-04 5.90 -2.670281189e-04 -2.670281189e-04 5.92 -2.340118323e-04 -2.340118323e-04 5.94 -2.051849045e-04 -2.051849045e-04 5.96 -1.800028358e-04 -1.800028358e-04 5.98 -1.579934262e-04 -1.579934262e-04 6.00 -1.387470052e-04 -1.387470052e-04