# 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 = Au2NiTa # 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 3.134130212e+02 3.134130212e+02 1.30 2.905673869e+02 2.905673869e+02 1.32 2.694236377e+02 2.694236377e+02 1.34 2.498504403e+02 2.498504403e+02 1.36 2.317230636e+02 2.317230636e+02 1.38 2.149236347e+02 2.149236347e+02 1.40 1.993425394e+02 1.993425394e+02 1.42 1.848792738e+02 1.848792738e+02 1.44 1.714424659e+02 1.714424659e+02 1.46 1.589495030e+02 1.589495030e+02 1.48 1.473261862e+02 1.473261862e+02 1.50 1.365065303e+02 1.365065303e+02 1.52 1.264322421e+02 1.264322421e+02 1.54 1.170513094e+02 1.170513094e+02 1.56 1.083159638e+02 1.083159638e+02 1.58 1.001809596e+02 1.001809596e+02 1.60 9.260283993e+01 9.260283993e+01 1.62 8.554010753e+01 8.554010753e+01 1.64 7.895375079e+01 7.895375079e+01 1.66 7.280764140e+01 7.280764140e+01 1.68 6.706867500e+01 6.706867500e+01 1.70 6.170675275e+01 6.170675275e+01 1.72 5.669468332e+01 5.669468332e+01 1.74 5.200799852e+01 5.200799852e+01 1.76 4.762464709e+01 4.762464709e+01 1.78 4.352493455e+01 4.352493455e+01 1.80 3.969415354e+01 3.969415354e+01 1.82 3.611738420e+01 3.611738420e+01 1.84 3.279646676e+01 3.279646676e+01 1.86 2.971731377e+01 2.971731377e+01 1.88 2.686214851e+01 2.686214851e+01 1.90 2.421473800e+01 2.421473800e+01 1.92 2.176051535e+01 2.176051535e+01 1.94 1.948653467e+01 1.948653467e+01 1.96 1.738127403e+01 1.738127403e+01 1.98 1.543433933e+01 1.543433933e+01 2.00 1.363613944e+01 1.363613944e+01 2.02 1.197759478e+01 1.197759478e+01 2.04 1.044992099e+01 1.044992099e+01 2.06 9.044509942e+00 9.044509942e+00 2.08 7.752912289e+00 7.752912289e+00 2.10 6.566903166e+00 6.566903166e+00 2.12 5.478591725e+00 5.478591725e+00 2.14 4.480529510e+00 4.480529510e+00 2.16 3.565784231e+00 3.565784231e+00 2.18 2.727966170e+00 2.727966170e+00 2.20 1.961212934e+00 1.961212934e+00 2.22 1.260148031e+00 1.260148031e+00 2.24 6.198292017e-01 6.198292017e-01 2.26 3.569708941e-02 3.569708941e-02 2.28 -4.964716856e-01 -4.964716856e-01 2.30 -9.806070719e-01 -9.806070719e-01 2.32 -1.420383997e+00 -1.420383997e+00 2.34 -1.819254165e+00 -1.819254165e+00 2.36 -2.180466218e+00 -2.180466218e+00 2.38 -2.507070066e+00 -2.507070066e+00 2.40 -2.801906269e+00 -2.801906269e+00 2.42 -3.067587270e+00 -3.067587270e+00 2.44 -3.306364643e+00 -3.306364643e+00 2.46 -3.520427200e+00 -3.520427200e+00 2.48 -3.711847801e+00 -3.711847801e+00 2.50 -3.882457531e+00 -3.882457531e+00 2.52 -4.033895243e+00 -4.033895243e+00 2.54 -4.167655629e+00 -4.167655629e+00 2.56 -4.285122134e+00 -4.285122134e+00 2.58 -4.387423336e+00 -4.387423336e+00 2.60 -4.475488458e+00 -4.475488458e+00 2.62 -4.550269266e+00 -4.550269266e+00 2.64 -4.612719240e+00 -4.612719240e+00 2.66 -4.663762920e+00 -4.663762920e+00 2.68 -4.704273472e+00 -4.704273472e+00 2.70 -4.735060966e+00 -4.735060966e+00 2.72 -4.756868546e+00 -4.756868546e+00 2.74 -4.770380035e+00 -4.770380035e+00 2.76 -4.776225991e+00 -4.776225991e+00 2.78 -4.774988062e+00 -4.774988062e+00 2.80 -4.767201579e+00 -4.767201579e+00 2.82 -4.753357465e+00 -4.753357465e+00 2.84 -4.733957618e+00 -4.733957618e+00 2.86 -4.709391706e+00 -4.709391706e+00 2.88 -4.679765359e+00 -4.679765359e+00 2.90 -4.645208702e+00 -4.645208702e+00 2.92 -4.605881850e+00 -4.605881850e+00 2.94 -4.561969402e+00 -4.561969402e+00 2.96 -4.513676178e+00 -4.513676178e+00 2.98 -4.461224000e+00 -4.461224000e+00 3.00 -4.404849078e+00 -4.404849078e+00 3.02 -4.344792832e+00 -4.344792832e+00 3.04 -4.281297236e+00 -4.281297236e+00 3.06 -4.214612381e+00 -4.214612381e+00 3.08 -4.144992713e+00 -4.144992713e+00 3.10 -4.072691808e+00 -4.072691808e+00 3.12 -3.997957733e+00 -3.997957733e+00 3.14 -3.921030071e+00 -3.921030071e+00 3.16 -3.842139353e+00 -3.842139353e+00 3.18 -3.761509049e+00 -3.761509049e+00 3.20 -3.679359559e+00 -3.679359559e+00 3.22 -3.595913175e+00 -3.595913175e+00 3.24 -3.511398771e+00 -3.511398771e+00 3.26 -3.426055038e+00 -3.426055038e+00 3.28 -3.340131378e+00 -3.340131378e+00 3.30 -3.253885943e+00 -3.253885943e+00 3.32 -3.167580796e+00 -3.167580796e+00 3.34 -3.081474660e+00 -3.081474660e+00 3.36 -2.995814106e+00 -2.995814106e+00 3.38 -2.910824316e+00 -2.910824316e+00 3.40 -2.826700627e+00 -2.826700627e+00 3.42 -2.743601886e+00 -2.743601886e+00 3.44 -2.661646366e+00 -2.661646366e+00 3.46 -2.580910538e+00 -2.580910538e+00 3.48 -2.501430611e+00 -2.501430611e+00 3.50 -2.423206452e+00 -2.423206452e+00 3.52 -2.346207286e+00 -2.346207286e+00 3.54 -2.270378555e+00 -2.270378555e+00 3.56 -2.195649359e+00 -2.195649359e+00 3.58 -2.121940003e+00 -2.121940003e+00 3.60 -2.049169341e+00 -2.049169341e+00 3.62 -1.977261680e+00 -1.977261680e+00 3.64 -1.906153144e+00 -1.906153144e+00 3.66 -1.835797376e+00 -1.835797376e+00 3.68 -1.766170511e+00 -1.766170511e+00 3.70 -1.697275264e+00 -1.697275264e+00 3.72 -1.629143954e+00 -1.629143954e+00 3.74 -1.561840212e+00 -1.561840212e+00 3.76 -1.495459112e+00 -1.495459112e+00 3.78 -1.430125460e+00 -1.430125460e+00 3.80 -1.365990074e+00 -1.365990074e+00 3.82 -1.303224016e+00 -1.303224016e+00 3.84 -1.242010960e+00 -1.242010960e+00 3.86 -1.182538096e+00 -1.182538096e+00 3.88 -1.124986214e+00 -1.124986214e+00 3.90 -1.069519803e+00 -1.069519803e+00 3.92 -1.016278054e+00 -1.016278054e+00 3.94 -9.653676379e-01 -9.653676379e-01 3.96 -9.168578827e-01 -9.168578827e-01 3.98 -8.707786978e-01 -8.707786978e-01 4.00 -8.271212265e-01 -8.271212265e-01 4.02 -7.858408775e-01 -7.858408775e-01 4.04 -7.468621690e-01 -7.468621690e-01 4.06 -7.100847093e-01 -7.100847093e-01 4.08 -6.753896566e-01 -6.753896566e-01 4.10 -6.426461033e-01 -6.426461033e-01 4.12 -6.117169894e-01 -6.117169894e-01 4.14 -5.824642614e-01 -5.824642614e-01 4.16 -5.547531950e-01 -5.547531950e-01 4.18 -5.284558189e-01 -5.284558189e-01 4.20 -5.034534832e-01 -5.034534832e-01 4.22 -4.796386284e-01 -4.796386284e-01 4.24 -4.569158249e-01 -4.569158249e-01 4.26 -4.352021563e-01 -4.352021563e-01 4.28 -4.144270252e-01 -4.144270252e-01 4.30 -3.945314697e-01 -3.945314697e-01 4.32 -3.754670938e-01 -3.754670938e-01 4.34 -3.571947281e-01 -3.571947281e-01 4.36 -3.396829426e-01 -3.396829426e-01 4.38 -3.229065252e-01 -3.229065252e-01 4.40 -3.068450113e-01 -3.068450113e-01 4.42 -2.914813151e-01 -2.914813151e-01 4.44 -2.768004758e-01 -2.768004758e-01 4.46 -2.627885053e-01 -2.627885053e-01 4.48 -2.494313192e-01 -2.494313192e-01 4.50 -2.367137461e-01 -2.367137461e-01 4.52 -2.246186385e-01 -2.246186385e-01 4.54 -2.131261351e-01 -2.131261351e-01 4.56 -2.022131386e-01 -2.022131386e-01 4.58 -1.918530686e-01 -1.918530686e-01 4.60 -1.820159235e-01 -1.820159235e-01 4.62 -1.726686472e-01 -1.726686472e-01 4.64 -1.637757697e-01 -1.637757697e-01 4.66 -1.553002490e-01 -1.553002490e-01 4.68 -1.472042912e-01 -1.472042912e-01 4.70 -1.394502607e-01 -1.394502607e-01 4.72 -1.320026801e-01 -1.320026801e-01 4.74 -1.248282330e-01 -1.248282330e-01 4.76 -1.178965680e-01 -1.178965680e-01 4.78 -1.111810575e-01 -1.111810575e-01 4.80 -1.046593990e-01 -1.046593990e-01 4.82 -9.831406600e-02 -9.831406600e-02 4.84 -9.213258977e-02 -9.213258977e-02 4.86 -8.610768459e-02 -8.610768459e-02 4.88 -8.023718495e-02 -8.023718495e-02 4.90 -7.452378678e-02 -7.452378678e-02 4.92 -6.897458064e-02 -6.897458064e-02 4.94 -6.360037636e-02 -6.360037636e-02 4.96 -5.841483541e-02 -5.841483541e-02 4.98 -5.343344730e-02 -5.343344730e-02 5.00 -4.867240675e-02 -4.867240675e-02 5.02 -4.414746602e-02 -4.414746602e-02 5.04 -3.987284101e-02 -3.987284101e-02 5.06 -3.586025543e-02 -3.586025543e-02 5.08 -3.211819482e-02 -3.211819482e-02 5.10 -2.865140979e-02 -2.865140979e-02 5.12 -2.546069477e-02 -2.546069477e-02 5.14 -2.254292268e-02 -2.254292268e-02 5.16 -1.989130991e-02 -1.989130991e-02 5.18 -1.749586366e-02 -1.749586366e-02 5.20 -1.534391940e-02 -1.534391940e-02 5.22 -1.342045319e-02 -1.342045319e-02 5.24 -1.170959269e-02 -1.170959269e-02 5.26 -1.019474842e-02 -1.019474842e-02 5.28 -8.858967593e-03 -8.858967593e-03 5.30 -7.685419550e-03 -7.685419550e-03 5.32 -6.657778736e-03 -6.657778736e-03 5.34 -5.760509001e-03 -5.760509001e-03 5.36 -4.979058862e-03 -4.979058862e-03 5.38 -4.299980516e-03 -4.299980516e-03 5.40 -3.710986515e-03 -3.710986515e-03 5.42 -3.200957770e-03 -3.200957770e-03 5.44 -2.759915298e-03 -2.759915298e-03 5.46 -2.378966464e-03 -2.378966464e-03 5.48 -2.050234590e-03 -2.050234590e-03 5.50 -1.766778994e-03 -1.766778994e-03 5.52 -1.522510848e-03 -1.522510848e-03 5.54 -1.312108843e-03 -1.312108843e-03 5.56 -1.130937431e-03 -1.130937431e-03 5.58 -9.749695131e-04 -9.749695131e-04 5.60 -8.407146786e-04 -8.407146786e-04 5.62 -7.251535761e-04 -7.251535761e-04 5.64 -6.256785927e-04 -6.256785927e-04 5.66 -5.400407436e-04 -5.400407436e-04 5.68 -4.663024925e-04 -4.663024925e-04 5.70 -4.027961099e-04 -4.027961099e-04 5.72 -3.480871154e-04 -3.480871154e-04 5.74 -3.009423269e-04 -3.009423269e-04 5.76 -2.603020394e-04 -2.603020394e-04 5.78 -2.252558747e-04 -2.252558747e-04 5.80 -1.950218734e-04 -1.950218734e-04 5.82 -1.689284314e-04 -1.689284314e-04 5.84 -1.463987233e-04 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