# 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 = Al2AuPt # 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 2.156521827e+02 2.156521827e+02 1.30 2.009747916e+02 2.009747916e+02 1.32 1.872734248e+02 1.872734248e+02 1.34 1.744785975e+02 1.744785975e+02 1.36 1.625277336e+02 1.625277336e+02 1.38 1.513578648e+02 1.513578648e+02 1.40 1.409051192e+02 1.409051192e+02 1.42 1.311097477e+02 1.311097477e+02 1.44 1.219214602e+02 1.219214602e+02 1.46 1.133016285e+02 1.133016285e+02 1.48 1.052210754e+02 1.052210754e+02 1.50 9.765416690e+01 9.765416690e+01 1.52 9.057277948e+01 9.057277948e+01 1.54 8.394388691e+01 8.394388691e+01 1.56 7.773106122e+01 7.773106122e+01 1.58 7.189754522e+01 7.189754522e+01 1.60 6.640894759e+01 6.640894759e+01 1.62 6.123509113e+01 6.123509113e+01 1.64 5.635119761e+01 5.635119761e+01 1.66 5.173832311e+01 5.173832311e+01 1.68 4.738739733e+01 4.738739733e+01 1.70 4.332625353e+01 4.332625353e+01 1.72 3.957771746e+01 3.957771746e+01 1.74 3.612076668e+01 3.612076668e+01 1.76 3.293548634e+01 3.293548634e+01 1.78 2.999885084e+01 2.999885084e+01 1.80 2.728811100e+01 2.728811100e+01 1.82 2.478228632e+01 2.478228632e+01 1.84 2.246286015e+01 2.246286015e+01 1.86 2.031398393e+01 2.031398393e+01 1.88 1.832226705e+01 1.832226705e+01 1.90 1.647631512e+01 1.647631512e+01 1.92 1.476620121e+01 1.476620121e+01 1.94 1.318303016e+01 1.318303016e+01 1.96 1.171866464e+01 1.171866464e+01 1.98 1.036556167e+01 1.036556167e+01 2.00 9.116624407e+00 9.116624407e+00 2.02 7.965039149e+00 7.965039149e+00 2.04 6.904151229e+00 6.904151229e+00 2.06 5.927436141e+00 5.927436141e+00 2.08 5.028556251e+00 5.028556251e+00 2.10 4.201445222e+00 4.201445222e+00 2.12 3.440372458e+00 3.440372458e+00 2.14 2.739977980e+00 2.739977980e+00 2.16 2.095291809e+00 2.095291809e+00 2.18 1.501751052e+00 1.501751052e+00 2.20 9.552155827e-01 9.552155827e-01 2.22 4.519748381e-01 4.519748381e-01 2.24 -1.126096442e-02 -1.126096442e-02 2.26 -4.373860931e-01 -4.373860931e-01 2.28 -8.289367212e-01 -8.289367212e-01 2.30 -1.188134498e+00 -1.188134498e+00 2.32 -1.516931895e+00 -1.516931895e+00 2.34 -1.817057116e+00 -1.817057116e+00 2.36 -2.090058259e+00 -2.090058259e+00 2.38 -2.337346876e+00 -2.337346876e+00 2.40 -2.560240811e+00 -2.560240811e+00 2.42 -2.760005351e+00 -2.760005351e+00 2.44 -2.937893803e+00 -2.937893803e+00 2.46 -3.096044435e+00 -3.096044435e+00 2.48 -3.236208383e+00 -3.236208383e+00 2.50 -3.359425552e+00 -3.359425552e+00 2.52 -3.466823441e+00 -3.466823441e+00 2.54 -3.559601167e+00 -3.559601167e+00 2.56 -3.639008781e+00 -3.639008781e+00 2.58 -3.706323236e+00 -3.706323236e+00 2.60 -3.762820043e+00 -3.762820043e+00 2.62 -3.809738068e+00 -3.809738068e+00 2.64 -3.848236884e+00 -3.848236884e+00 2.66 -3.879351359e+00 -3.879351359e+00 2.68 -3.903953723e+00 -3.903953723e+00 2.70 -3.922733483e+00 -3.922733483e+00 2.72 -3.936200183e+00 -3.936200183e+00 2.74 -3.944711567e+00 -3.944711567e+00 2.76 -3.948553690e+00 -3.948553690e+00 2.78 -3.947839908e+00 -3.947839908e+00 2.80 -3.942617914e+00 -3.942617914e+00 2.82 -3.933600279e+00 -3.933600279e+00 2.84 -3.921329654e+00 -3.921329654e+00 2.86 -3.905482998e+00 -3.905482998e+00 2.88 -3.885836980e+00 -3.885836980e+00 2.90 -3.862269388e+00 -3.862269388e+00 2.92 -3.834760727e+00 -3.834760727e+00 2.94 -3.803394921e+00 -3.803394921e+00 2.96 -3.768354036e+00 -3.768354036e+00 2.98 -3.729909348e+00 -3.729909348e+00 3.00 -3.688410946e+00 -3.688410946e+00 3.02 -3.644281536e+00 -3.644281536e+00 3.04 -3.597976288e+00 -3.597976288e+00 3.06 -3.549946571e+00 -3.549946571e+00 3.08 -3.500616267e+00 -3.500616267e+00 3.10 -3.450362437e+00 -3.450362437e+00 3.12 -3.399501635e+00 -3.399501635e+00 3.14 -3.348282836e+00 -3.348282836e+00 3.16 -3.296886927e+00 -3.296886927e+00 3.18 -3.245432343e+00 -3.245432343e+00 3.20 -3.193985054e+00 -3.193985054e+00 3.22 -3.142570887e+00 -3.142570887e+00 3.24 -3.091188123e+00 -3.091188123e+00 3.26 -3.039818849e+00 -3.039818849e+00 3.28 -2.988438185e+00 -2.988438185e+00 3.30 -2.937021203e+00 -2.937021203e+00 3.32 -2.885551281e+00 -2.885551281e+00 3.34 -2.834044630e+00 -2.834044630e+00 3.36 -2.782532676e+00 -2.782532676e+00 3.38 -2.731050320e+00 -2.731050320e+00 3.40 -2.679637088e+00 -2.679637088e+00 3.42 -2.628337568e+00 -2.628337568e+00 3.44 -2.577201205e+00 -2.577201205e+00 3.46 -2.526281625e+00 -2.526281625e+00 3.48 -2.475635561e+00 -2.475635561e+00 3.50 -2.425321482e+00 -2.425321482e+00 3.52 -2.375398049e+00 -2.375398049e+00 3.54 -2.325922508e+00 -2.325922508e+00 3.56 -2.276949119e+00 -2.276949119e+00 3.58 -2.228527705e+00 -2.228527705e+00 3.60 -2.180702385e+00 -2.180702385e+00 3.62 -2.133510528e+00 -2.133510528e+00 3.64 -2.086981947e+00 -2.086981947e+00 3.66 -2.041138337e+00 -2.041138337e+00 3.68 -1.995992954e+00 -1.995992954e+00 3.70 -1.951550541e+00 -1.951550541e+00 3.72 -1.907807471e+00 -1.907807471e+00 3.74 -1.864752131e+00 -1.864752131e+00 3.76 -1.822365499e+00 -1.822365499e+00 3.78 -1.780621923e+00 -1.780621923e+00 3.80 -1.739490059e+00 -1.739490059e+00 3.82 -1.698933933e+00 -1.698933933e+00 3.84 -1.658914077e+00 -1.658914077e+00 3.86 -1.619388700e+00 -1.619388700e+00 3.88 -1.580314832e+00 -1.580314832e+00 3.90 -1.541649398e+00 -1.541649398e+00 3.92 -1.503350202e+00 -1.503350202e+00 3.94 -1.465376830e+00 -1.465376830e+00 3.96 -1.427691402e+00 -1.427691402e+00 3.98 -1.390259331e+00 -1.390259331e+00 4.00 -1.353050047e+00 -1.353050047e+00 4.02 -1.316037783e+00 -1.316037783e+00 4.04 -1.279202474e+00 -1.279202474e+00 4.06 -1.242530807e+00 -1.242530807e+00 4.08 -1.206017413e+00 -1.206017413e+00 4.10 -1.169666143e+00 -1.169666143e+00 4.12 -1.133491411e+00 -1.133491411e+00 4.14 -1.097519187e+00 -1.097519187e+00 4.16 -1.061787830e+00 -1.061787830e+00 4.18 -1.026348263e+00 -1.026348263e+00 4.20 -9.912634736e-01 -9.912634736e-01 4.22 -9.566071949e-01 -9.566071949e-01 4.24 -9.224617622e-01 -9.224617622e-01 4.26 -8.889151960e-01 -8.889151960e-01 4.28 -8.560576562e-01 -8.560576562e-01 4.30 -8.239774706e-01 -8.239774706e-01 4.32 -7.927569882e-01 -7.927569882e-01 4.34 -7.624685448e-01 -7.624685448e-01 4.36 -7.331708376e-01 -7.331708376e-01 4.38 -7.049059947e-01 -7.049059947e-01 4.40 -6.776975762e-01 -6.776975762e-01 4.42 -6.515496571e-01 -6.515496571e-01 4.44 -6.264470317e-01 -6.264470317e-01 4.46 -6.023564571e-01 -6.023564571e-01 4.48 -5.792287548e-01 -5.792287548e-01 4.50 -5.570015183e-01 -5.570015183e-01 4.52 -5.356021615e-01 -5.356021615e-01 4.54 -5.149510589e-01 -5.149510589e-01 4.56 -4.949645857e-01 -4.949645857e-01 4.58 -4.755579297e-01 -4.755579297e-01 4.60 -4.566476154e-01 -4.566476154e-01 4.62 -4.381537295e-01 -4.381537295e-01 4.64 -4.200018760e-01 -4.200018760e-01 4.66 -4.021249012e-01 -4.021249012e-01 4.68 -3.844644283e-01 -3.844644283e-01 4.70 -3.669722238e-01 -3.669722238e-01 4.72 -3.496113926e-01 -3.496113926e-01 4.74 -3.323573714e-01 -3.323573714e-01 4.76 -3.151986638e-01 -3.151986638e-01 4.78 -2.981372417e-01 -2.981372417e-01 4.80 -2.811885246e-01 -2.811885246e-01 4.82 -2.643809388e-01 -2.643809388e-01 4.84 -2.477548299e-01 -2.477548299e-01 4.86 -2.313609776e-01 -2.313609776e-01 4.88 -2.152585590e-01 -2.152585590e-01 4.90 -1.995127245e-01 -1.995127245e-01 4.92 -1.841918937e-01 -1.841918937e-01 4.94 -1.693649172e-01 -1.693649172e-01 4.96 -1.550982566e-01 -1.550982566e-01 4.98 -1.414533348e-01 -1.414533348e-01 5.00 -1.284841915e-01 -1.284841915e-01 5.02 -1.162355568e-01 -1.162355568e-01 5.04 -1.047414300e-01 -1.047414300e-01 5.06 -9.402421395e-02 -9.402421395e-02 5.08 -8.409441952e-02 -8.409441952e-02 5.10 -7.495093363e-02 -7.495093363e-02 5.12 -6.658176751e-02 -6.658176751e-02 5.14 -5.896520772e-02 -5.896520772e-02 5.16 -5.207125726e-02 -5.207125726e-02 5.18 -4.586326658e-02 -4.586326658e-02 5.20 -4.029963623e-02 -4.029963623e-02 5.22 -3.533545655e-02 -3.533545655e-02 5.24 -3.092382373e-02 -3.092382373e-02 5.26 -2.701724108e-02 -2.701724108e-02 5.28 -2.356957533e-02 -2.356957533e-02 5.30 -2.053608247e-02 -2.053608247e-02 5.32 -1.787409441e-02 -1.787409441e-02 5.34 -1.554353702e-02 -1.554353702e-02 5.36 -1.350725735e-02 -1.350725735e-02 5.38 -1.173156762e-02 -1.173156762e-02 5.40 -1.018542750e-02 -1.018542750e-02 5.42 -8.840625061e-03 -8.840625061e-03 5.44 -7.672018138e-03 -7.672018138e-03 5.46 -6.657296843e-03 -6.657296843e-03 5.48 -5.776741491e-03 -5.776741491e-03 5.50 -5.012982540e-03 -5.012982540e-03 5.52 -4.350767734e-03 -4.350767734e-03 5.54 -3.776740386e-03 -3.776740386e-03 5.56 -3.279231494e-03 -3.279231494e-03 5.58 -2.848067381e-03 -2.848067381e-03 5.60 -2.474393639e-03 -2.474393639e-03 5.62 -2.150515536e-03 -2.150515536e-03 5.64 -1.869754480e-03 -1.869754480e-03 5.66 -1.626319820e-03 -1.626319820e-03 5.68 -1.415195014e-03 -1.415195014e-03 5.70 -1.232037050e-03 -1.232037050e-03 5.72 -1.073087955e-03 -1.073087955e-03 5.74 -9.350972272e-04 -9.350972272e-04 5.76 -8.152540427e-04 -8.152540427e-04 5.78 -7.111281640e-04 -7.111281640e-04 5.80 -6.206185426e-04 -6.206185426e-04 5.82 -5.419086984e-04 -5.419086984e-04 5.84 -4.734280387e-04 -4.734280387e-04 5.86 -4.138183694e-04 -4.138183694e-04 5.88 -3.619049312e-04 -3.619049312e-04 5.90 -3.166713687e-04 -3.166713687e-04 5.92 -2.772381137e-04 -2.772381137e-04 5.94 -2.428437252e-04 -2.428437252e-04 5.96 -2.128287867e-04 -2.128287867e-04 5.98 -1.866220160e-04 -1.866220160e-04 6.00 -1.637282824e-04 -1.637282824e-04