# 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 = AgNiPt2 # 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 2.892616876e+02 2.892616876e+02 1.30 2.689495198e+02 2.689495198e+02 1.32 2.500067373e+02 2.500067373e+02 1.34 2.323398819e+02 2.323398819e+02 1.36 2.158631040e+02 2.158631040e+02 1.38 2.004929575e+02 2.004929575e+02 1.40 1.861485141e+02 1.861485141e+02 1.42 1.727543031e+02 1.727543031e+02 1.44 1.602406682e+02 1.602406682e+02 1.46 1.485430127e+02 1.485430127e+02 1.48 1.376032091e+02 1.376032091e+02 1.50 1.273707832e+02 1.273707832e+02 1.52 1.178004855e+02 1.178004855e+02 1.54 1.088478403e+02 1.088478403e+02 1.56 1.004666436e+02 1.004666436e+02 1.58 9.260964584e+01 9.260964584e+01 1.60 8.523072402e+01 8.523072402e+01 1.62 7.828689552e+01 7.828689552e+01 1.64 7.173984963e+01 7.173984963e+01 1.66 6.555715061e+01 6.555715061e+01 1.68 5.971294030e+01 5.971294030e+01 1.70 5.418772507e+01 5.418772507e+01 1.72 4.900356179e+01 4.900356179e+01 1.74 4.423945244e+01 4.423945244e+01 1.76 3.987188567e+01 3.987188567e+01 1.78 3.587081084e+01 3.587081084e+01 1.80 3.220617286e+01 3.220617286e+01 1.82 2.884941273e+01 2.884941273e+01 1.84 2.577477452e+01 2.577477452e+01 1.86 2.295982966e+01 2.295982966e+01 1.88 2.038507641e+01 2.038507641e+01 1.90 1.803284682e+01 1.803284682e+01 1.92 1.588610698e+01 1.588610698e+01 1.94 1.392781271e+01 1.392781271e+01 1.96 1.214108519e+01 1.214108519e+01 1.98 1.050990029e+01 1.050990029e+01 2.00 9.019740931e+00 9.019740931e+00 2.02 7.657867602e+00 7.657867602e+00 2.04 6.413212159e+00 6.413212159e+00 2.06 5.276086142e+00 5.276086142e+00 2.08 4.237874143e+00 4.237874143e+00 2.10 3.290785606e+00 3.290785606e+00 2.12 2.427674734e+00 2.427674734e+00 2.14 1.641923542e+00 1.641923542e+00 2.16 9.273839622e-01 9.273839622e-01 2.18 2.783671554e-01 2.783671554e-01 2.20 -3.103433192e-01 -3.103433192e-01 2.22 -8.434792612e-01 -8.434792612e-01 2.24 -1.325291668e+00 -1.325291668e+00 2.26 -1.759574695e+00 -1.759574695e+00 2.28 -2.149708528e+00 -2.149708528e+00 2.30 -2.498719063e+00 -2.498719063e+00 2.32 -2.809350679e+00 -2.809350679e+00 2.34 -3.084143933e+00 -3.084143933e+00 2.36 -3.325506636e+00 -3.325506636e+00 2.38 -3.535768399e+00 -3.535768399e+00 2.40 -3.717215491e+00 -3.717215491e+00 2.42 -3.872109310e+00 -3.872109310e+00 2.44 -4.002772478e+00 -4.002772478e+00 2.46 -4.113720844e+00 -4.113720844e+00 2.48 -4.207505553e+00 -4.207505553e+00 2.50 -4.285464830e+00 -4.285464830e+00 2.52 -4.349035388e+00 -4.349035388e+00 2.54 -4.399698299e+00 -4.399698299e+00 2.56 -4.438907928e+00 -4.438907928e+00 2.58 -4.468014010e+00 -4.468014010e+00 2.60 -4.488195158e+00 -4.488195158e+00 2.62 -4.500420741e+00 -4.500420741e+00 2.64 -4.505445960e+00 -4.505445960e+00 2.66 -4.503840818e+00 -4.503840818e+00 2.68 -4.496031899e+00 -4.496031899e+00 2.70 -4.482346240e+00 -4.482346240e+00 2.72 -4.463048476e+00 -4.463048476e+00 2.74 -4.438366989e+00 -4.438366989e+00 2.76 -4.408508952e+00 -4.408508952e+00 2.78 -4.373654217e+00 -4.373654217e+00 2.80 -4.333904258e+00 -4.333904258e+00 2.82 -4.289350835e+00 -4.289350835e+00 2.84 -4.240110488e+00 -4.240110488e+00 2.86 -4.186335340e+00 -4.186335340e+00 2.88 -4.128230299e+00 -4.128230299e+00 2.90 -4.066073537e+00 -4.066073537e+00 2.92 -4.000235076e+00 -4.000235076e+00 2.94 -3.931186970e+00 -3.931186970e+00 2.96 -3.859498864e+00 -3.859498864e+00 2.98 -3.785821741e+00 -3.785821741e+00 3.00 -3.710905036e+00 -3.710905036e+00 3.02 -3.635380929e+00 -3.635380929e+00 3.04 -3.559791807e+00 -3.559791807e+00 3.06 -3.484585824e+00 -3.484585824e+00 3.08 -3.410094826e+00 -3.410094826e+00 3.10 -3.336531740e+00 -3.336531740e+00 3.12 -3.264003457e+00 -3.264003457e+00 3.14 -3.192532879e+00 -3.192532879e+00 3.16 -3.122083730e+00 -3.122083730e+00 3.18 -3.052583772e+00 -3.052583772e+00 3.20 -2.983946142e+00 -2.983946142e+00 3.22 -2.916082449e+00 -2.916082449e+00 3.24 -2.848909381e+00 -2.848909381e+00 3.26 -2.782382180e+00 -2.782382180e+00 3.28 -2.716557349e+00 -2.716557349e+00 3.30 -2.651499664e+00 -2.651499664e+00 3.32 -2.587263780e+00 -2.587263780e+00 3.34 -2.523898640e+00 -2.523898640e+00 3.36 -2.461449934e+00 -2.461449934e+00 3.38 -2.399961118e+00 -2.399961118e+00 3.40 -2.339473392e+00 -2.339473392e+00 3.42 -2.280025006e+00 -2.280025006e+00 3.44 -2.221650205e+00 -2.221650205e+00 3.46 -2.164378098e+00 -2.164378098e+00 3.48 -2.108231684e+00 -2.108231684e+00 3.50 -2.053227170e+00 -2.053227170e+00 3.52 -1.999373656e+00 -1.999373656e+00 3.54 -1.946673181e+00 -1.946673181e+00 3.56 -1.895121078e+00 -1.895121078e+00 3.58 -1.844706516e+00 -1.844706516e+00 3.60 -1.795413162e+00 -1.795413162e+00 3.62 -1.747219844e+00 -1.747219844e+00 3.64 -1.700101200e+00 -1.700101200e+00 3.66 -1.654028293e+00 -1.654028293e+00 3.68 -1.608969242e+00 -1.608969242e+00 3.70 -1.564889927e+00 -1.564889927e+00 3.72 -1.521754827e+00 -1.521754827e+00 3.74 -1.479528031e+00 -1.479528031e+00 3.76 -1.438174401e+00 -1.438174401e+00 3.78 -1.397660829e+00 -1.397660829e+00 3.80 -1.357957453e+00 -1.357957453e+00 3.82 -1.319038665e+00 -1.319038665e+00 3.84 -1.280883753e+00 -1.280883753e+00 3.86 -1.243477024e+00 -1.243477024e+00 3.88 -1.206807373e+00 -1.206807373e+00 3.90 -1.170867357e+00 -1.170867357e+00 3.92 -1.135651941e+00 -1.135651941e+00 3.94 -1.101157182e+00 -1.101157182e+00 3.96 -1.067379110e+00 -1.067379110e+00 3.98 -1.034313080e+00 -1.034313080e+00 4.00 -1.001953678e+00 -1.001953678e+00 4.02 -9.702952154e-01 -9.702952154e-01 4.04 -9.393326777e-01 -9.393326777e-01 4.06 -9.090629141e-01 -9.090629141e-01 4.08 -8.794858077e-01 -8.794858077e-01 4.10 -8.506051563e-01 -8.506051563e-01 4.12 -8.224290768e-01 -8.224290768e-01 4.14 -7.949696890e-01 -7.949696890e-01 4.16 -7.682421648e-01 -7.682421648e-01 4.18 -7.422631103e-01 -7.422631103e-01 4.20 -7.170485060e-01 -7.170485060e-01 4.22 -6.926114690e-01 -6.926114690e-01 4.24 -6.689601419e-01 -6.689601419e-01 4.26 -6.460959904e-01 -6.460959904e-01 4.28 -6.240127084e-01 -6.240127084e-01 4.30 -6.026958097e-01 -6.026958097e-01 4.32 -5.821228631e-01 -5.821228631e-01 4.34 -5.622642317e-01 -5.622642317e-01 4.36 -5.430841254e-01 -5.430841254e-01 4.38 -5.245417746e-01 -5.245417746e-01 4.40 -5.065925692e-01 -5.065925692e-01 4.42 -4.891890594e-01 -4.891890594e-01 4.44 -4.722817763e-01 -4.722817763e-01 4.46 -4.558198767e-01 -4.558198767e-01 4.48 -4.397516539e-01 -4.397516539e-01 4.50 -4.240249769e-01 -4.240249769e-01 4.52 -4.085877307e-01 -4.085877307e-01 4.54 -3.933883294e-01 -3.933883294e-01 4.56 -3.783763655e-01 -3.783763655e-01 4.58 -3.635034426e-01 -3.635034426e-01 4.60 -3.487242204e-01 -3.487242204e-01 4.62 -3.339976753e-01 -3.339976753e-01 4.64 -3.192885569e-01 -3.192885569e-01 4.66 -3.045689888e-01 -3.045689888e-01 4.68 -2.898201382e-01 -2.898201382e-01 4.70 -2.750338435e-01 -2.750338435e-01 4.72 -2.602140645e-01 -2.602140645e-01 4.74 -2.453779938e-01 -2.453779938e-01 4.76 -2.305566596e-01 -2.305566596e-01 4.78 -2.157948536e-01 -2.157948536e-01 4.80 -2.011502554e-01 -2.011502554e-01 4.82 -1.866916884e-01 -1.866916884e-01 4.84 -1.724965067e-01 -1.724965067e-01 4.86 -1.586472597e-01 -1.586472597e-01 4.88 -1.452278359e-01 -1.452278359e-01 4.90 -1.323193968e-01 -1.323193968e-01 4.92 -1.199964477e-01 -1.199964477e-01 4.94 -1.083233810e-01 -1.083233810e-01 4.96 -9.735178741e-02 -9.735178741e-02 4.98 -8.711871342e-02 -8.711871342e-02 5.00 -7.764592420e-02 -7.764592420e-02 5.02 -6.894014349e-02 -6.894014349e-02 5.04 -6.099412312e-02 -6.099412312e-02 5.06 -5.378833931e-02 -5.378833931e-02 5.08 -4.729319044e-02 -4.729319044e-02 5.10 -4.147193596e-02 -4.147193596e-02 5.12 -3.628100429e-02 -3.628100429e-02 5.14 -3.167311909e-02 -3.167311909e-02 5.16 -2.759948099e-02 -2.759948099e-02 5.18 -2.401128367e-02 -2.401128367e-02 5.20 -2.086090844e-02 -2.086090844e-02 5.22 -1.810282237e-02 -1.810282237e-02 5.24 -1.569420128e-02 -1.569420128e-02 5.26 -1.359519812e-02 -1.359519812e-02 5.28 -1.176899505e-02 -1.176899505e-02 5.30 -1.018286794e-02 -1.018286794e-02 5.32 -8.807274876e-03 -8.807274876e-03 5.34 -7.615695612e-03 -7.615695612e-03 5.36 -6.584503958e-03 -6.584503958e-03 5.38 -5.692783812e-03 -5.692783812e-03 5.40 -4.922114186e-03 -4.922114186e-03 5.42 -4.256341270e-03 -4.256341270e-03 5.44 -3.681350007e-03 -3.681350007e-03 5.46 -3.184843407e-03 -3.184843407e-03 5.48 -2.756134777e-03 -2.756134777e-03 5.50 -2.385955780e-03 -2.385955780e-03 5.52 -2.066281653e-03 -2.066281653e-03 5.54 -1.790173833e-03 -1.790173833e-03 5.56 -1.551639536e-03 -1.551639536e-03 5.58 -1.345507345e-03 -1.345507345e-03 5.60 -1.167317643e-03 -1.167317643e-03 5.62 -1.013226577e-03 -1.013226577e-03 5.64 -8.799222185e-04 -8.799222185e-04 5.66 -7.645516102e-04 -7.645516102e-04 5.68 -6.646574501e-04 -6.646574501e-04 5.70 -5.781232723e-04 -5.781232723e-04 5.72 -5.031260629e-04 -5.031260629e-04 5.74 -4.380953663e-04 -4.380953663e-04 5.76 -3.816780343e-04 -3.816780343e-04 5.78 -3.327078685e-04 -3.327078685e-04 5.80 -2.901794975e-04 -2.901794975e-04 5.82 -2.532259079e-04 -2.532259079e-04 5.84 -2.210991298e-04 -2.210991298e-04 5.86 -1.931536352e-04 -1.931536352e-04 5.88 -1.688320724e-04 -1.688320724e-04 5.90 -1.476530084e-04 -1.476530084e-04 5.92 -1.292003953e-04 -1.292003953e-04 5.94 -1.131145190e-04 -1.131145190e-04 5.96 -9.908421903e-05 -9.908421903e-05 5.98 -8.684019994e-05 -8.684019994e-05 6.00 -7.614928005e-05 -7.614928005e-05