# 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 = AgMg2W # 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 4.321975597e+02 4.321975597e+02 1.30 4.001089116e+02 4.001089116e+02 1.32 3.704601037e+02 3.704601037e+02 1.34 3.430565980e+02 3.430565980e+02 1.36 3.177184209e+02 3.177184209e+02 1.38 2.942788208e+02 2.942788208e+02 1.40 2.725838428e+02 2.725838428e+02 1.42 2.524922497e+02 2.524922497e+02 1.44 2.338752836e+02 2.338752836e+02 1.46 2.166160289e+02 2.166160289e+02 1.48 2.006085361e+02 2.006085361e+02 1.50 1.857569186e+02 1.857569186e+02 1.52 1.719744206e+02 1.719744206e+02 1.54 1.591823725e+02 1.591823725e+02 1.56 1.473091308e+02 1.473091308e+02 1.58 1.362891257e+02 1.362891257e+02 1.60 1.260620237e+02 1.260620237e+02 1.62 1.165719771e+02 1.165719771e+02 1.64 1.077669966e+02 1.077669966e+02 1.66 9.959876454e+01 9.959876454e+01 1.68 9.202233721e+01 9.202233721e+01 1.70 8.499519702e+01 8.499519702e+01 1.72 7.847770644e+01 7.847770644e+01 1.74 7.243408554e+01 7.243408554e+01 1.76 6.683013408e+01 6.683013408e+01 1.78 6.163289179e+01 6.163289179e+01 1.80 5.681183383e+01 5.681183383e+01 1.82 5.233852307e+01 5.233852307e+01 1.84 4.818667389e+01 4.818667389e+01 1.86 4.433225880e+01 4.433225880e+01 1.88 4.075351822e+01 4.075351822e+01 1.90 3.743082425e+01 3.743082425e+01 1.92 3.434640910e+01 3.434640910e+01 1.94 3.148403398e+01 3.148403398e+01 1.96 2.882868510e+01 2.882868510e+01 1.98 2.636635281e+01 2.636635281e+01 2.00 2.408389098e+01 2.408389098e+01 2.02 2.196892350e+01 2.196892350e+01 2.04 2.000976854e+01 2.000976854e+01 2.06 1.819536657e+01 1.819536657e+01 2.08 1.651521720e+01 1.651521720e+01 2.10 1.495934407e+01 1.495934407e+01 2.12 1.351830011e+01 1.351830011e+01 2.14 1.218321137e+01 1.218321137e+01 2.16 1.094584099e+01 1.094584099e+01 2.18 9.798642340e+00 9.798642340e+00 2.20 8.734786674e+00 8.734786674e+00 2.22 7.748255238e+00 7.748255238e+00 2.24 6.833439200e+00 6.833439200e+00 2.26 5.985240766e+00 5.985240766e+00 2.28 5.199098237e+00 5.199098237e+00 2.30 4.470892107e+00 4.470892107e+00 2.32 3.796856371e+00 3.796856371e+00 2.34 3.173558845e+00 3.173558845e+00 2.36 2.598083752e+00 2.598083752e+00 2.38 2.067713383e+00 2.067713383e+00 2.40 1.579779628e+00 1.579779628e+00 2.42 1.131681499e+00 1.131681499e+00 2.44 7.208990026e-01 7.208990026e-01 2.46 3.450020724e-01 3.450020724e-01 2.48 1.658581238e-03 1.658581238e-03 2.50 -3.113588606e-01 -3.113588606e-01 2.52 -5.961670116e-01 -5.961670116e-01 2.54 -8.547672618e-01 -8.547672618e-01 2.56 -1.089042546e+00 -1.089042546e+00 2.58 -1.300756358e+00 -1.300756358e+00 2.60 -1.491553753e+00 -1.491553753e+00 2.62 -1.662963120e+00 -1.662963120e+00 2.64 -1.816400098e+00 -1.816400098e+00 2.66 -1.953167741e+00 -1.953167741e+00 2.68 -2.074462296e+00 -2.074462296e+00 2.70 -2.181379118e+00 -2.181379118e+00 2.72 -2.274921705e+00 -2.274921705e+00 2.74 -2.356012328e+00 -2.356012328e+00 2.76 -2.425502695e+00 -2.425502695e+00 2.78 -2.484183208e+00 -2.484183208e+00 2.80 -2.532791835e+00 -2.532791835e+00 2.82 -2.572019749e+00 -2.572019749e+00 2.84 -2.602652004e+00 -2.602652004e+00 2.86 -2.625233727e+00 -2.625233727e+00 2.88 -2.640121990e+00 -2.640121990e+00 2.90 -2.647684433e+00 -2.647684433e+00 2.92 -2.648306326e+00 -2.648306326e+00 2.94 -2.642399143e+00 -2.642399143e+00 2.96 -2.630425706e+00 -2.630425706e+00 2.98 -2.612902332e+00 -2.612902332e+00 3.00 -2.590375269e+00 -2.590375269e+00 3.02 -2.563413954e+00 -2.563413954e+00 3.04 -2.532599979e+00 -2.532599979e+00 3.06 -2.498512922e+00 -2.498512922e+00 3.08 -2.461710728e+00 -2.461710728e+00 3.10 -2.422712851e+00 -2.422712851e+00 3.12 -2.381983764e+00 -2.381983764e+00 3.14 -2.339924074e+00 -2.339924074e+00 3.16 -2.296862278e+00 -2.296862278e+00 3.18 -2.253058432e+00 -2.253058432e+00 3.20 -2.208710121e+00 -2.208710121e+00 3.22 -2.163962817e+00 -2.163962817e+00 3.24 -2.118922108e+00 -2.118922108e+00 3.26 -2.073666040e+00 -2.073666040e+00 3.28 -2.028256185e+00 -2.028256185e+00 3.30 -1.982776568e+00 -1.982776568e+00 3.32 -1.937299333e+00 -1.937299333e+00 3.34 -1.891791041e+00 -1.891791041e+00 3.36 -1.846234255e+00 -1.846234255e+00 3.38 -1.800633869e+00 -1.800633869e+00 3.40 -1.755018300e+00 -1.755018300e+00 3.42 -1.709346217e+00 -1.709346217e+00 3.44 -1.663424090e+00 -1.663424090e+00 3.46 -1.617121190e+00 -1.617121190e+00 3.48 -1.570397855e+00 -1.570397855e+00 3.50 -1.523299690e+00 -1.523299690e+00 3.52 -1.475946410e+00 -1.475946410e+00 3.54 -1.428516127e+00 -1.428516127e+00 3.56 -1.381226659e+00 -1.381226659e+00 3.58 -1.334315856e+00 -1.334315856e+00 3.60 -1.288022959e+00 -1.288022959e+00 3.62 -1.242572656e+00 -1.242572656e+00 3.64 -1.198162956e+00 -1.198162956e+00 3.66 -1.154957318e+00 -1.154957318e+00 3.68 -1.113080915e+00 -1.113080915e+00 3.70 -1.072620462e+00 -1.072620462e+00 3.72 -1.033626775e+00 -1.033626775e+00 3.74 -9.961191939e-01 -9.961191939e-01 3.76 -9.600910073e-01 -9.600910073e-01 3.78 -9.255151928e-01 -9.255151928e-01 3.80 -8.923499124e-01 -8.923499124e-01 3.82 -8.605433928e-01 -8.605433928e-01 3.84 -8.300379558e-01 -8.300379558e-01 3.86 -8.007731059e-01 -8.007731059e-01 3.88 -7.726876937e-01 -7.726876937e-01 3.90 -7.457212734e-01 -7.457212734e-01 3.92 -7.198146284e-01 -7.198146284e-01 3.94 -6.949109966e-01 -6.949109966e-01 3.96 -6.709547827e-01 -6.709547827e-01 3.98 -6.478926353e-01 -6.478926353e-01 4.00 -6.256732919e-01 -6.256732919e-01 4.02 -6.042477554e-01 -6.042477554e-01 4.04 -5.835695196e-01 -5.835695196e-01 4.06 -5.635948120e-01 -5.635948120e-01 4.08 -5.442828238e-01 -5.442828238e-01 4.10 -5.255952314e-01 -5.255952314e-01 4.12 -5.074992156e-01 -5.074992156e-01 4.14 -4.899630734e-01 -4.899630734e-01 4.16 -4.729595143e-01 -4.729595143e-01 4.18 -4.564648776e-01 -4.564648776e-01 4.20 -4.404591643e-01 -4.404591643e-01 4.22 -4.249260108e-01 -4.249260108e-01 4.24 -4.098525787e-01 -4.098525787e-01 4.26 -3.952293317e-01 -3.952293317e-01 4.28 -3.810496745e-01 -3.810496745e-01 4.30 -3.673094412e-01 -3.673094412e-01 4.32 -3.540062404e-01 -3.540062404e-01 4.34 -3.411386856e-01 -3.411386856e-01 4.36 -3.287055677e-01 -3.287055677e-01 4.38 -3.167050379e-01 -3.167050379e-01 4.40 -3.051338787e-01 -3.051338787e-01 4.42 -2.939869308e-01 -2.939869308e-01 4.44 -2.832567230e-01 -2.832567230e-01 4.46 -2.729333247e-01 -2.729333247e-01 4.48 -2.630044091e-01 -2.630044091e-01 4.50 -2.534554935e-01 -2.534554935e-01 4.52 -2.442703047e-01 -2.442703047e-01 4.54 -2.354312147e-01 -2.354312147e-01 4.56 -2.269196973e-01 -2.269196973e-01 4.58 -2.187167643e-01 -2.187167643e-01 4.60 -2.108033554e-01 -2.108033554e-01 4.62 -2.031606696e-01 -2.031606696e-01 4.64 -1.957704352e-01 -1.957704352e-01 4.66 -1.886151235e-01 -1.886151235e-01 4.68 -1.816781197e-01 -1.816781197e-01 4.70 -1.749438591e-01 -1.749438591e-01 4.72 -1.683979457e-01 -1.683979457e-01 4.74 -1.620272590e-01 -1.620272590e-01 4.76 -1.558200594e-01 -1.558200594e-01 4.78 -1.497660953e-01 -1.497660953e-01 4.80 -1.438563135e-01 -1.438563135e-01 4.82 -1.380846214e-01 -1.380846214e-01 4.84 -1.324453761e-01 -1.324453761e-01 4.86 -1.269352769e-01 -1.269352769e-01 4.88 -1.215529126e-01 -1.215529126e-01 4.90 -1.162987351e-01 -1.162987351e-01 4.92 -1.111749623e-01 -1.111749623e-01 4.94 -1.061853995e-01 -1.061853995e-01 4.96 -1.013351722e-01 -1.013351722e-01 4.98 -9.663037652e-02 -9.663037652e-02 5.00 -9.207765885e-02 -9.207765885e-02 5.02 -8.768375097e-02 -8.768375097e-02 5.04 -8.345499289e-02 -8.345499289e-02 5.06 -7.939686041e-02 -7.939686041e-02 5.08 -7.551357528e-02 -7.551357528e-02 5.10 -7.180779668e-02 -7.180779668e-02 5.12 -6.828042187e-02 -6.828042187e-02 5.14 -6.493050672e-02 -6.493050672e-02 5.16 -6.175530327e-02 -6.175530327e-02 5.18 -5.875038718e-02 -5.875038718e-02 5.20 -5.590914628e-02 -5.590914628e-02 5.22 -5.322453425e-02 -5.322453425e-02 5.24 -5.068911419e-02 -5.068911419e-02 5.26 -4.829475746e-02 -4.829475746e-02 5.28 -4.603297605e-02 -4.603297605e-02 5.30 -4.389521846e-02 -4.389521846e-02 5.32 -4.187311953e-02 -4.187311953e-02 5.34 -3.995869945e-02 -3.995869945e-02 5.36 -3.814451060e-02 -3.814451060e-02 5.38 -3.642373345e-02 -3.642373345e-02 5.40 -3.479022517e-02 -3.479022517e-02 5.42 -3.323852535e-02 -3.323852535e-02 5.44 -3.176382460e-02 -3.176382460e-02 5.46 -3.036190299e-02 -3.036190299e-02 5.48 -2.902904616e-02 -2.902904616e-02 5.50 -2.776194799e-02 -2.776194799e-02 5.52 -2.655760861e-02 -2.655760861e-02 5.54 -2.541323664e-02 -2.541323664e-02 5.56 -2.432616279e-02 -2.432616279e-02 5.58 -2.329377054e-02 -2.329377054e-02 5.60 -2.231344677e-02 -2.231344677e-02 5.62 -2.138255308e-02 -2.138255308e-02 5.64 -2.049841602e-02 -2.049841602e-02 5.66 -1.965833280e-02 -1.965833280e-02 5.68 -1.885958836e-02 -1.885958836e-02 5.70 -1.809947903e-02 -1.809947903e-02 5.72 -1.737533888e-02 -1.737533888e-02 5.74 -1.668456482e-02 -1.668456482e-02 5.76 -1.602460523e-02 -1.602460523e-02 5.78 -1.539303325e-02 -1.539303325e-02 5.80 -1.478756235e-02 -1.478756235e-02 5.82 -1.420602985e-02 -1.420602985e-02 5.84 -1.364640106e-02 -1.364640106e-02 5.86 -1.310677007e-02 -1.310677007e-02 5.88 -1.258535814e-02 -1.258535814e-02 5.90 -1.208051060e-02 -1.208051060e-02 5.92 -1.159069331e-02 -1.159069331e-02 5.94 -1.111448928e-02 -1.111448928e-02 5.96 -1.065059624e-02 -1.065059624e-02 5.98 -1.019782565e-02 -1.019782565e-02 6.00 -9.755103329e-03 -9.755103329e-03