# 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 = NiPb2Ta # 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 3.838865321e+02 3.838865321e+02 1.30 3.583659984e+02 3.583659984e+02 1.32 3.346480370e+02 3.346480370e+02 1.34 3.125960467e+02 3.125960467e+02 1.36 2.920793387e+02 2.920793387e+02 1.38 2.729743010e+02 2.729743010e+02 1.40 2.551666078e+02 2.551666078e+02 1.42 2.385526059e+02 2.385526059e+02 1.44 2.230391506e+02 2.230391506e+02 1.46 2.085425537e+02 2.085425537e+02 1.48 1.949876576e+02 1.949876576e+02 1.50 1.823073054e+02 1.823073054e+02 1.52 1.704416267e+02 1.704416267e+02 1.54 1.593366873e+02 1.593366873e+02 1.56 1.489426687e+02 1.489426687e+02 1.58 1.392123825e+02 1.392123825e+02 1.60 1.301006098e+02 1.301006098e+02 1.62 1.215642883e+02 1.215642883e+02 1.64 1.135630201e+02 1.135630201e+02 1.66 1.060594790e+02 1.060594790e+02 1.68 9.901947723e+01 9.901947723e+01 1.70 9.241173452e+01 9.241173452e+01 1.72 8.620753489e+01 8.620753489e+01 1.74 8.038039757e+01 8.038039757e+01 1.76 7.490877881e+01 7.490877881e+01 1.78 6.977193885e+01 6.977193885e+01 1.80 6.494799303e+01 6.494799303e+01 1.82 6.041753917e+01 6.041753917e+01 1.84 5.617159681e+01 5.617159681e+01 1.86 5.219345608e+01 5.219345608e+01 1.88 4.846511911e+01 4.846511911e+01 1.90 4.497004652e+01 4.497004652e+01 1.92 4.169321858e+01 4.169321858e+01 1.94 3.862118241e+01 3.862118241e+01 1.96 3.574200641e+01 3.574200641e+01 1.98 3.304512279e+01 3.304512279e+01 2.00 3.052102480e+01 3.052102480e+01 2.02 2.816087303e+01 2.816087303e+01 2.04 2.595611014e+01 2.595611014e+01 2.06 2.389819553e+01 2.389819553e+01 2.08 2.197852011e+01 2.197852011e+01 2.10 2.018847072e+01 2.018847072e+01 2.12 1.851959407e+01 1.851959407e+01 2.14 1.696376115e+01 1.696376115e+01 2.16 1.551329186e+01 1.551329186e+01 2.18 1.416101851e+01 1.416101851e+01 2.20 1.290028899e+01 1.290028899e+01 2.22 1.172494011e+01 1.172494011e+01 2.24 1.062925371e+01 1.062925371e+01 2.26 9.607911675e+00 9.607911675e+00 2.28 8.655957465e+00 8.655957465e+00 2.30 7.768754556e+00 7.768754556e+00 2.32 6.941946134e+00 6.941946134e+00 2.34 6.171427342e+00 6.171427342e+00 2.36 5.453310704e+00 5.453310704e+00 2.38 4.783914070e+00 4.783914070e+00 2.40 4.159764263e+00 4.159764263e+00 2.42 3.577626824e+00 3.577626824e+00 2.44 3.034625785e+00 3.034625785e+00 2.46 2.527939229e+00 2.527939229e+00 2.48 2.054991140e+00 2.054991140e+00 2.50 1.613511128e+00 1.613511128e+00 2.52 1.201498099e+00 1.201498099e+00 2.54 8.171759625e-01 8.171759625e-01 2.56 4.589487668e-01 4.589487668e-01 2.58 1.254093051e-01 1.254093051e-01 2.60 -1.845882283e-01 -1.845882283e-01 2.62 -4.721325276e-01 -4.721325276e-01 2.64 -7.383089700e-01 -7.383089700e-01 2.66 -9.841910716e-01 -9.841910716e-01 2.68 -1.210844818e+00 -1.210844818e+00 2.70 -1.419325574e+00 -1.419325574e+00 2.72 -1.610674337e+00 -1.610674337e+00 2.74 -1.785909353e+00 -1.785909353e+00 2.76 -1.946019432e+00 -1.946019432e+00 2.78 -2.091953339e+00 -2.091953339e+00 2.80 -2.224610191e+00 -2.224610191e+00 2.82 -2.344831701e+00 -2.344831701e+00 2.84 -2.453399768e+00 -2.453399768e+00 2.86 -2.551037573e+00 -2.551037573e+00 2.88 -2.638391973e+00 -2.638391973e+00 2.90 -2.715973320e+00 -2.715973320e+00 2.92 -2.784245754e+00 -2.784245754e+00 2.94 -2.843655992e+00 -2.843655992e+00 2.96 -2.894632651e+00 -2.894632651e+00 2.98 -2.937585811e+00 -2.937585811e+00 3.00 -2.972907161e+00 -2.972907161e+00 3.02 -3.000970991e+00 -3.000970991e+00 3.04 -3.022135818e+00 -3.022135818e+00 3.06 -3.036749145e+00 -3.036749145e+00 3.08 -3.045148813e+00 -3.045148813e+00 3.10 -3.047669532e+00 -3.047669532e+00 3.12 -3.044645804e+00 -3.044645804e+00 3.14 -3.036422190e+00 -3.036422190e+00 3.16 -3.023347229e+00 -3.023347229e+00 3.18 -3.005781618e+00 -3.005781618e+00 3.20 -2.984095938e+00 -2.984095938e+00 3.22 -2.958668229e+00 -2.958668229e+00 3.24 -2.929880102e+00 -2.929880102e+00 3.26 -2.898112082e+00 -2.898112082e+00 3.28 -2.863738751e+00 -2.863738751e+00 3.30 -2.827123959e+00 -2.827123959e+00 3.32 -2.788616068e+00 -2.788616068e+00 3.34 -2.748543023e+00 -2.748543023e+00 3.36 -2.707207206e+00 -2.707207206e+00 3.38 -2.664917824e+00 -2.664917824e+00 3.40 -2.621936693e+00 -2.621936693e+00 3.42 -2.578395985e+00 -2.578395985e+00 3.44 -2.534396092e+00 -2.534396092e+00 3.46 -2.490006236e+00 -2.490006236e+00 3.48 -2.445264374e+00 -2.445264374e+00 3.50 -2.400179383e+00 -2.400179383e+00 3.52 -2.354734886e+00 -2.354734886e+00 3.54 -2.308890732e+00 -2.308890732e+00 3.56 -2.262569498e+00 -2.262569498e+00 3.58 -2.215676818e+00 -2.215676818e+00 3.60 -2.168119175e+00 -2.168119175e+00 3.62 -2.119809678e+00 -2.119809678e+00 3.64 -2.070674073e+00 -2.070674073e+00 3.66 -2.020656795e+00 -2.020656795e+00 3.68 -1.969726897e+00 -1.969726897e+00 3.70 -1.917883618e+00 -1.917883618e+00 3.72 -1.865161238e+00 -1.865161238e+00 3.74 -1.811632772e+00 -1.811632772e+00 3.76 -1.757412009e+00 -1.757412009e+00 3.78 -1.702653464e+00 -1.702653464e+00 3.80 -1.647549890e+00 -1.647549890e+00 3.82 -1.592327209e+00 -1.592327209e+00 3.84 -1.537236946e+00 -1.537236946e+00 3.86 -1.482546550e+00 -1.482546550e+00 3.88 -1.428528233e+00 -1.428528233e+00 3.90 -1.375447203e+00 -1.375447203e+00 3.92 -1.323549584e+00 -1.323549584e+00 3.94 -1.273055547e+00 -1.273055547e+00 3.96 -1.224146829e+00 -1.224146829e+00 3.98 -1.176965238e+00 -1.176965238e+00 4.00 -1.131609871e+00 -1.131609871e+00 4.02 -1.088137988e+00 -1.088137988e+00 4.04 -1.046568169e+00 -1.046568169e+00 4.06 -1.006885075e+00 -1.006885075e+00 4.08 -9.690451403e-01 -9.690451403e-01 4.10 -9.329801564e-01 -9.329801564e-01 4.12 -8.986131422e-01 -8.986131422e-01 4.14 -8.658477825e-01 -8.658477825e-01 4.16 -8.345841306e-01 -8.345841306e-01 4.18 -8.047194730e-01 -8.047194730e-01 4.20 -7.761514038e-01 -7.761514038e-01 4.22 -7.487802408e-01 -7.487802408e-01 4.24 -7.225108959e-01 -7.225108959e-01 4.26 -6.972543131e-01 -6.972543131e-01 4.28 -6.729285809e-01 -6.729285809e-01 4.30 -6.494598022e-01 -6.494598022e-01 4.32 -6.267827757e-01 -6.267827757e-01 4.34 -6.048415120e-01 -6.048415120e-01 4.36 -5.835895708e-01 -5.835895708e-01 4.38 -5.629901802e-01 -5.629901802e-01 4.40 -5.430160759e-01 -5.430160759e-01 4.42 -5.236489970e-01 -5.236489970e-01 4.44 -5.048787871e-01 -5.048787871e-01 4.46 -4.867020883e-01 -4.867020883e-01 4.48 -4.691206654e-01 -4.691206654e-01 4.50 -4.521394610e-01 -4.521394610e-01 4.52 -4.357645339e-01 -4.357645339e-01 4.54 -4.200010666e-01 -4.200010666e-01 4.56 -4.048516288e-01 -4.048516288e-01 4.58 -3.903148528e-01 -3.903148528e-01 4.60 -3.763846128e-01 -3.763846128e-01 4.62 -3.630497330e-01 -3.630497330e-01 4.64 -3.502941753e-01 -3.502941753e-01 4.66 -3.380976075e-01 -3.380976075e-01 4.68 -3.264362259e-01 -3.264362259e-01 4.70 -3.152837023e-01 -3.152837023e-01 4.72 -3.046121413e-01 -3.046121413e-01 4.74 -2.943929635e-01 -2.943929635e-01 4.76 -2.845976592e-01 -2.845976592e-01 4.78 -2.751983882e-01 -2.751983882e-01 4.80 -2.661668688e-01 -2.661668688e-01 4.82 -2.574811349e-01 -2.574811349e-01 4.84 -2.491156119e-01 -2.491156119e-01 4.86 -2.410482355e-01 -2.410482355e-01 4.88 -2.332586115e-01 -2.332586115e-01 4.90 -2.257279748e-01 -2.257279748e-01 4.92 -2.184391177e-01 -2.184391177e-01 4.94 -2.113763087e-01 -2.113763087e-01 4.96 -2.045252079e-01 -2.045252079e-01 4.98 -1.978727903e-01 -1.978727903e-01 5.00 -1.914072819e-01 -1.914072819e-01 5.02 -1.851181110e-01 -1.851181110e-01 5.04 -1.789958769e-01 -1.789958769e-01 5.06 -1.730323335e-01 -1.730323335e-01 5.08 -1.672203840e-01 -1.672203840e-01 5.10 -1.615540818e-01 -1.615540818e-01 5.12 -1.560286319e-01 -1.560286319e-01 5.14 -1.506403847e-01 -1.506403847e-01 5.16 -1.453868118e-01 -1.453868118e-01 5.18 -1.402664580e-01 -1.402664580e-01 5.20 -1.352788592e-01 -1.352788592e-01 5.22 -1.304244232e-01 -1.304244232e-01 5.24 -1.257042697e-01 -1.257042697e-01 5.26 -1.211199736e-01 -1.211199736e-01 5.28 -1.166729030e-01 -1.166729030e-01 5.30 -1.123651080e-01 -1.123651080e-01 5.32 -1.081985818e-01 -1.081985818e-01 5.34 -1.041748189e-01 -1.041748189e-01 5.36 -1.002946045e-01 -1.002946045e-01 5.38 -9.655784958e-02 -9.655784958e-02 5.40 -9.296348129e-02 -9.296348129e-02 5.42 -8.950939338e-02 -8.950939338e-02 5.44 -8.619245570e-02 -8.619245570e-02 5.46 -8.300857572e-02 -8.300857572e-02 5.48 -7.995280229e-02 -7.995280229e-02 5.50 -7.701945910e-02 -7.701945910e-02 5.52 -7.420229512e-02 -7.420229512e-02 5.54 -7.149464035e-02 -7.149464035e-02 5.56 -6.888955709e-02 -6.888955709e-02 5.58 -6.637997957e-02 -6.637997957e-02 5.60 -6.395883741e-02 -6.395883741e-02 5.62 -6.161916072e-02 -6.161916072e-02 5.64 -5.935416690e-02 -5.935416690e-02 5.66 -5.715733041e-02 -5.715733041e-02 5.68 -5.502243792e-02 -5.502243792e-02 5.70 -5.294363181e-02 -5.294363181e-02 5.72 -5.091544507e-02 -5.091544507e-02 5.74 -4.893283045e-02 -4.893283045e-02 5.76 -4.699118661e-02 -4.699118661e-02 5.78 -4.508638318e-02 -4.508638318e-02 5.80 -4.321478531e-02 -4.321478531e-02 5.82 -4.137328020e-02 -4.137328020e-02 5.84 -3.955930444e-02 -3.955930444e-02 5.86 -3.777087132e-02 -3.777087132e-02 5.88 -3.600659692e-02 -3.600659692e-02 5.90 -3.426572260e-02 -3.426572260e-02 5.92 -3.254813129e-02 -3.254813129e-02 5.94 -3.085435410e-02 -3.085435410e-02 5.96 -2.918556427e-02 -2.918556427e-02 5.98 -2.754355557e-02 -2.754355557e-02 6.00 -2.593070056e-02 -2.593070056e-02