# 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 = AlPtW2 # 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 3.648060690e+02 3.648060690e+02 1.30 3.394651992e+02 3.394651992e+02 1.32 3.158886801e+02 3.158886801e+02 1.34 2.939367403e+02 2.939367403e+02 1.36 2.734937926e+02 2.734937926e+02 1.38 2.544592760e+02 2.544592760e+02 1.40 2.367406197e+02 2.367406197e+02 1.42 2.202490230e+02 2.202490230e+02 1.44 2.048978423e+02 2.048978423e+02 1.46 1.906030189e+02 1.906030189e+02 1.48 1.772842913e+02 1.772842913e+02 1.50 1.648662158e+02 1.648662158e+02 1.52 1.532787594e+02 1.532787594e+02 1.54 1.424574161e+02 1.424574161e+02 1.56 1.323429464e+02 1.323429464e+02 1.58 1.228808694e+02 1.228808694e+02 1.60 1.140207000e+02 1.140207000e+02 1.62 1.057151098e+02 1.057151098e+02 1.64 9.791946798e+01 9.791946798e+01 1.66 9.059211872e+01 9.059211872e+01 1.68 8.369531390e+01 8.369531390e+01 1.70 7.719633005e+01 7.719633005e+01 1.72 7.106815578e+01 7.106815578e+01 1.74 6.528932579e+01 6.528932579e+01 1.76 5.984300032e+01 5.984300032e+01 1.78 5.471581025e+01 5.471581025e+01 1.80 4.989682491e+01 4.989682491e+01 1.82 4.537653817e+01 4.537653817e+01 1.84 4.114622315e+01 4.114622315e+01 1.86 3.719649732e+01 3.719649732e+01 1.88 3.351536794e+01 3.351536794e+01 1.90 3.008899310e+01 3.008899310e+01 1.92 2.693676978e+01 2.693676978e+01 1.94 2.406629525e+01 2.406629525e+01 1.96 2.145150640e+01 2.145150640e+01 1.98 1.906730966e+01 1.906730966e+01 2.00 1.689062864e+01 1.689062864e+01 2.02 1.490053489e+01 1.490053489e+01 2.04 1.307831629e+01 1.307831629e+01 2.06 1.140741029e+01 1.140741029e+01 2.08 9.873192525e+00 9.873192525e+00 2.10 8.462687255e+00 8.462687255e+00 2.12 7.164290722e+00 7.164290722e+00 2.14 5.967573635e+00 5.967573635e+00 2.16 4.863182657e+00 4.863182657e+00 2.18 3.842815255e+00 3.842815255e+00 2.20 2.899215647e+00 2.899215647e+00 2.22 2.026142161e+00 2.026142161e+00 2.24 1.218282229e+00 1.218282229e+00 2.26 4.711213214e-01 4.711213214e-01 2.28 -2.192100787e-01 -2.192100787e-01 2.30 -8.560859190e-01 -8.560859190e-01 2.32 -1.442513256e+00 -1.442513256e+00 2.34 -1.981233360e+00 -1.981233360e+00 2.36 -2.474796360e+00 -2.474796360e+00 2.38 -2.925614111e+00 -2.925614111e+00 2.40 -3.335997446e+00 -3.335997446e+00 2.42 -3.708183708e+00 -3.708183708e+00 2.44 -4.044359663e+00 -4.044359663e+00 2.46 -4.346683216e+00 -4.346683216e+00 2.48 -4.617304305e+00 -4.617304305e+00 2.50 -4.858251857e+00 -4.858251857e+00 2.52 -5.071697905e+00 -5.071697905e+00 2.54 -5.259974220e+00 -5.259974220e+00 2.56 -5.425347253e+00 -5.425347253e+00 2.58 -5.569959756e+00 -5.569959756e+00 2.60 -5.695769569e+00 -5.695769569e+00 2.62 -5.804501690e+00 -5.804501690e+00 2.64 -5.897623379e+00 -5.897623379e+00 2.66 -5.976148552e+00 -5.976148552e+00 2.68 -6.040470241e+00 -6.040470241e+00 2.70 -6.090886678e+00 -6.090886678e+00 2.72 -6.127886385e+00 -6.127886385e+00 2.74 -6.152793549e+00 -6.152793549e+00 2.76 -6.165805082e+00 -6.165805082e+00 2.78 -6.166990453e+00 -6.166990453e+00 2.80 -6.156496279e+00 -6.156496279e+00 2.82 -6.134544212e+00 -6.134544212e+00 2.84 -6.101431068e+00 -6.101431068e+00 2.86 -6.057532905e+00 -6.057532905e+00 2.88 -6.003313582e+00 -6.003313582e+00 2.90 -5.939336580e+00 -5.939336580e+00 2.92 -5.866276942e+00 -5.866276942e+00 2.94 -5.784928721e+00 -5.784928721e+00 2.96 -5.696202733e+00 -5.696202733e+00 2.98 -5.601110372e+00 -5.601110372e+00 3.00 -5.500731798e+00 -5.500731798e+00 3.02 -5.396305459e+00 -5.396305459e+00 3.04 -5.289614906e+00 -5.289614906e+00 3.06 -5.181467827e+00 -5.181467827e+00 3.08 -5.072421430e+00 -5.072421430e+00 3.10 -4.962912443e+00 -4.962912443e+00 3.12 -4.853238579e+00 -4.853238579e+00 3.14 -4.743555650e+00 -4.743555650e+00 3.16 -4.633887666e+00 -4.633887666e+00 3.18 -4.524156827e+00 -4.524156827e+00 3.20 -4.414217478e+00 -4.414217478e+00 3.22 -4.303863038e+00 -4.303863038e+00 3.24 -4.192852840e+00 -4.192852840e+00 3.26 -4.080940411e+00 -4.080940411e+00 3.28 -3.967899736e+00 -3.967899736e+00 3.30 -3.853549117e+00 -3.853549117e+00 3.32 -3.737772368e+00 -3.737772368e+00 3.34 -3.620536938e+00 -3.620536938e+00 3.36 -3.501908320e+00 -3.501908320e+00 3.38 -3.382059775e+00 -3.382059775e+00 3.40 -3.261276211e+00 -3.261276211e+00 3.42 -3.140028782e+00 -3.140028782e+00 3.44 -3.019234705e+00 -3.019234705e+00 3.46 -2.899902735e+00 -2.899902735e+00 3.48 -2.782969875e+00 -2.782969875e+00 3.50 -2.669267580e+00 -2.669267580e+00 3.52 -2.559494404e+00 -2.559494404e+00 3.54 -2.454198056e+00 -2.454198056e+00 3.56 -2.353768210e+00 -2.353768210e+00 3.58 -2.258439870e+00 -2.258439870e+00 3.60 -2.168305698e+00 -2.168305698e+00 3.62 -2.083334824e+00 -2.083334824e+00 3.64 -2.003395390e+00 -2.003395390e+00 3.66 -1.928278207e+00 -1.928278207e+00 3.68 -1.857719423e+00 -1.857719423e+00 3.70 -1.791420758e+00 -1.791420758e+00 3.72 -1.729066478e+00 -1.729066478e+00 3.74 -1.670336847e+00 -1.670336847e+00 3.76 -1.614918190e+00 -1.614918190e+00 3.78 -1.562509923e+00 -1.562509923e+00 3.80 -1.512829049e+00 -1.512829049e+00 3.82 -1.465612666e+00 -1.465612666e+00 3.84 -1.420618947e+00 -1.420618947e+00 3.86 -1.377627079e+00 -1.377627079e+00 3.88 -1.336436488e+00 -1.336436488e+00 3.90 -1.296865680e+00 -1.296865680e+00 3.92 -1.258750914e+00 -1.258750914e+00 3.94 -1.221944903e+00 -1.221944903e+00 3.96 -1.186315638e+00 -1.186315638e+00 3.98 -1.151745480e+00 -1.151745480e+00 4.00 -1.118130532e+00 -1.118130532e+00 4.02 -1.085380319e+00 -1.085380319e+00 4.04 -1.053417764e+00 -1.053417764e+00 4.06 -1.022179381e+00 -1.022179381e+00 4.08 -9.916155858e-01 -9.916155858e-01 4.10 -9.616909328e-01 -9.616909328e-01 4.12 -9.323842047e-01 -9.323842047e-01 4.14 -9.036878824e-01 -9.036878824e-01 4.16 -8.756071677e-01 -8.756071677e-01 4.18 -8.481581667e-01 -8.481581667e-01 4.20 -8.213653275e-01 -8.213653275e-01 4.22 -7.952582202e-01 -7.952582202e-01 4.24 -7.698678942e-01 -7.698678942e-01 4.26 -7.452231410e-01 -7.452231410e-01 4.28 -7.213470285e-01 -7.213470285e-01 4.30 -6.982540406e-01 -6.982540406e-01 4.32 -6.759480644e-01 -6.759480644e-01 4.34 -6.544213377e-01 -6.544213377e-01 4.36 -6.336543362e-01 -6.336543362e-01 4.38 -6.136164680e-01 -6.136164680e-01 4.40 -5.942673706e-01 -5.942673706e-01 4.42 -5.755585960e-01 -5.755585960e-01 4.44 -5.574354418e-01 -5.574354418e-01 4.46 -5.398387697e-01 -5.398387697e-01 4.48 -5.227066960e-01 -5.227066960e-01 4.50 -5.059761048e-01 -5.059761048e-01 4.52 -4.895839186e-01 -4.895839186e-01 4.54 -4.734679010e-01 -4.734679010e-01 4.56 -4.575683609e-01 -4.575683609e-01 4.58 -4.418286305e-01 -4.418286305e-01 4.60 -4.261956993e-01 -4.261956993e-01 4.62 -4.106214759e-01 -4.106214759e-01 4.64 -3.950636043e-01 -3.950636043e-01 4.66 -3.794852075e-01 -3.794852075e-01 4.68 -3.638574407e-01 -3.638574407e-01 4.70 -3.481605418e-01 -3.481605418e-01 4.72 -3.323848209e-01 -3.323848209e-01 4.74 -3.165315658e-01 -3.165315658e-01 4.76 -3.006137370e-01 -3.006137370e-01 4.78 -2.846563235e-01 -2.846563235e-01 4.80 -2.686962376e-01 -2.686962376e-01 4.82 -2.527817018e-01 -2.527817018e-01 4.84 -2.369709947e-01 -2.369709947e-01 4.86 -2.213307049e-01 -2.213307049e-01 4.88 -2.059334684e-01 -2.059334684e-01 4.90 -1.908553620e-01 -1.908553620e-01 4.92 -1.761731080e-01 -1.761731080e-01 4.94 -1.619612681e-01 -1.619612681e-01 4.96 -1.482895956e-01 -1.482895956e-01 4.98 -1.352206918e-01 -1.352206918e-01 5.00 -1.228080744e-01 -1.228080744e-01 5.02 -1.110947319e-01 -1.110947319e-01 5.04 -1.001121983e-01 -1.001121983e-01 5.06 -8.988015382e-02 -8.988015382e-02 5.08 -8.040652887e-02 -8.040652887e-02 5.10 -7.168806352e-02 -7.168806352e-02 5.12 -6.371125560e-02 -6.371125560e-02 5.14 -5.645361246e-02 -5.645361246e-02 5.16 -4.988511145e-02 -4.988511145e-02 5.18 -4.396977008e-02 -4.396977008e-02 5.20 -3.866723200e-02 -3.866723200e-02 5.22 -3.393428641e-02 -3.393428641e-02 5.24 -2.972625556e-02 -2.972625556e-02 5.26 -2.599820361e-02 -2.599820361e-02 5.28 -2.270594646e-02 -2.270594646e-02 5.30 -1.980685056e-02 -1.980685056e-02 5.32 -1.726037050e-02 -1.726037050e-02 5.34 -1.502820351e-02 -1.502820351e-02 5.36 -1.307547066e-02 -1.307547066e-02 5.38 -1.137020158e-02 -1.137020158e-02 5.40 -9.883249206e-03 -9.883249206e-03 5.42 -8.588270296e-03 -8.588270296e-03 5.44 -7.461629086e-03 -7.461629086e-03 5.46 -6.482249486e-03 -6.482249486e-03 5.48 -5.631435728e-03 -5.631435728e-03 5.50 -4.892676662e-03 -4.892676662e-03 5.52 -4.251444917e-03 -4.251444917e-03 5.54 -3.694998882e-03 -3.694998882e-03 5.56 -3.212192918e-03 -3.212192918e-03 5.58 -2.793299221e-03 -2.793299221e-03 5.60 -2.429843294e-03 -2.429843294e-03 5.62 -2.114453894e-03 -2.114453894e-03 5.64 -1.840727553e-03 -1.840727553e-03 5.66 -1.603107251e-03 -1.603107251e-03 5.68 -1.396774503e-03 -1.396774503e-03 5.70 -1.217553889e-03 -1.217553889e-03 5.72 -1.061828987e-03 -1.061828987e-03 5.74 -9.264686271e-04 -9.264686271e-04 5.76 -8.087624005e-04 -8.087624005e-04 5.78 -7.063644126e-04 -7.063644126e-04 5.80 -6.172443311e-04 -6.172443311e-04 5.82 -5.396448616e-04 -5.396448616e-04 5.84 -4.720448589e-04 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