# 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 = NiPd2Pt # 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 2.822705792e+02 2.822705792e+02 1.30 2.619209692e+02 2.619209692e+02 1.32 2.429937619e+02 2.429937619e+02 1.34 2.253871881e+02 2.253871881e+02 1.36 2.090065317e+02 2.090065317e+02 1.38 1.937606471e+02 1.937606471e+02 1.40 1.795624615e+02 1.795624615e+02 1.42 1.663311154e+02 1.663311154e+02 1.44 1.539929898e+02 1.539929898e+02 1.46 1.424812920e+02 1.424812920e+02 1.48 1.317352889e+02 1.317352889e+02 1.50 1.216995345e+02 1.216995345e+02 1.52 1.123226825e+02 1.123226825e+02 1.54 1.035561556e+02 1.035561556e+02 1.56 9.535367486e+01 9.535367486e+01 1.58 8.767191262e+01 8.767191262e+01 1.60 8.047141772e+01 8.047141772e+01 1.62 7.371689603e+01 7.371689603e+01 1.64 6.737672306e+01 6.737672306e+01 1.66 6.142229772e+01 6.142229772e+01 1.68 5.582789028e+01 5.582789028e+01 1.70 5.061132632e+01 5.061132632e+01 1.72 4.581620590e+01 4.581620590e+01 1.74 4.141396576e+01 4.141396576e+01 1.76 3.737587200e+01 3.737587200e+01 1.78 3.367380054e+01 3.367380054e+01 1.80 3.028023441e+01 3.028023441e+01 1.82 2.716893193e+01 2.716893193e+01 1.84 2.431560802e+01 2.431560802e+01 1.86 2.169823412e+01 2.169823412e+01 1.88 1.929696308e+01 1.929696308e+01 1.90 1.709388443e+01 1.709388443e+01 1.92 1.507278576e+01 1.507278576e+01 1.94 1.321896895e+01 1.321896895e+01 1.96 1.151909268e+01 1.151909268e+01 1.98 9.961019045e+00 9.961019045e+00 2.00 8.533669975e+00 8.533669975e+00 2.02 7.226901868e+00 7.226901868e+00 2.04 6.031397788e+00 6.031397788e+00 2.06 4.938574403e+00 4.938574403e+00 2.08 3.940502973e+00 3.940502973e+00 2.10 3.029844604e+00 3.029844604e+00 2.12 2.199800622e+00 2.199800622e+00 2.14 1.444079327e+00 1.444079327e+00 2.16 7.568776865e-01 7.568776865e-01 2.18 1.328708872e-01 1.328708872e-01 2.20 -4.328006558e-01 -4.328006558e-01 2.22 -9.445544464e-01 -9.445544464e-01 2.24 -1.406400168e+00 -1.406400168e+00 2.26 -1.821981151e+00 -1.821981151e+00 2.28 -2.194619008e+00 -2.194619008e+00 2.30 -2.527360118e+00 -2.527360118e+00 2.32 -2.823024128e+00 -2.823024128e+00 2.34 -3.084252385e+00 -3.084252385e+00 2.36 -3.313550797e+00 -3.313550797e+00 2.38 -3.513321167e+00 -3.513321167e+00 2.40 -3.686107229e+00 -3.686107229e+00 2.42 -3.835446974e+00 -3.835446974e+00 2.44 -3.963321929e+00 -3.963321929e+00 2.46 -4.071424478e+00 -4.071424478e+00 2.48 -4.161446975e+00 -4.161446975e+00 2.50 -4.235073854e+00 -4.235073854e+00 2.52 -4.293963859e+00 -4.293963859e+00 2.54 -4.339717061e+00 -4.339717061e+00 2.56 -4.373829053e+00 -4.373829053e+00 2.58 -4.397640091e+00 -4.397640091e+00 2.60 -4.412301314e+00 -4.412301314e+00 2.62 -4.418761187e+00 -4.418761187e+00 2.64 -4.417777445e+00 -4.417777445e+00 2.66 -4.410182618e+00 -4.410182618e+00 2.68 -4.396922100e+00 -4.396922100e+00 2.70 -4.378102615e+00 -4.378102615e+00 2.72 -4.353781031e+00 -4.353781031e+00 2.74 -4.323970649e+00 -4.323970649e+00 2.76 -4.288733501e+00 -4.288733501e+00 2.78 -4.248183924e+00 -4.248183924e+00 2.80 -4.202477708e+00 -4.202477708e+00 2.82 -4.151806282e+00 -4.151806282e+00 2.84 -4.096424745e+00 -4.096424745e+00 2.86 -4.036684240e+00 -4.036684240e+00 2.88 -3.972980352e+00 -3.972980352e+00 2.90 -3.905756834e+00 -3.905756834e+00 2.92 -3.835511766e+00 -3.835511766e+00 2.94 -3.762793575e+00 -3.762793575e+00 2.96 -3.688185057e+00 -3.688185057e+00 2.98 -3.612276589e+00 -3.612276589e+00 3.00 -3.535632949e+00 -3.535632949e+00 3.02 -3.458760286e+00 -3.458760286e+00 3.04 -3.382080063e+00 -3.382080063e+00 3.06 -3.305914907e+00 -3.305914907e+00 3.08 -3.230487895e+00 -3.230487895e+00 3.10 -3.155933436e+00 -3.155933436e+00 3.12 -3.082315523e+00 -3.082315523e+00 3.14 -3.009648580e+00 -3.009648580e+00 3.16 -2.937929095e+00 -2.937929095e+00 3.18 -2.867200922e+00 -2.867200922e+00 3.20 -2.797504071e+00 -2.797504071e+00 3.22 -2.728859499e+00 -2.728859499e+00 3.24 -2.661279137e+00 -2.661279137e+00 3.26 -2.594771875e+00 -2.594771875e+00 3.28 -2.529346787e+00 -2.529346787e+00 3.30 -2.465014615e+00 -2.465014615e+00 3.32 -2.401788196e+00 -2.401788196e+00 3.34 -2.339682243e+00 -2.339682243e+00 3.36 -2.278712729e+00 -2.278712729e+00 3.38 -2.218896024e+00 -2.218896024e+00 3.40 -2.160247883e+00 -2.160247883e+00 3.42 -2.102782404e+00 -2.102782404e+00 3.44 -2.046511016e+00 -2.046511016e+00 3.46 -1.991441621e+00 -1.991441621e+00 3.48 -1.937577919e+00 -1.937577919e+00 3.50 -1.884918969e+00 -1.884918969e+00 3.52 -1.833458970e+00 -1.833458970e+00 3.54 -1.783187252e+00 -1.783187252e+00 3.56 -1.734088412e+00 -1.734088412e+00 3.58 -1.686142555e+00 -1.686142555e+00 3.60 -1.639325588e+00 -1.639325588e+00 3.62 -1.593609533e+00 -1.593609533e+00 3.64 -1.548962872e+00 -1.548962872e+00 3.66 -1.505350921e+00 -1.505350921e+00 3.68 -1.462736283e+00 -1.462736283e+00 3.70 -1.421079415e+00 -1.421079415e+00 3.72 -1.380339322e+00 -1.380339322e+00 3.74 -1.340474385e+00 -1.340474385e+00 3.76 -1.301443264e+00 -1.301443264e+00 3.78 -1.263205818e+00 -1.263205818e+00 3.80 -1.225723895e+00 -1.225723895e+00 3.82 -1.188961925e+00 -1.188961925e+00 3.84 -1.152887185e+00 -1.152887185e+00 3.86 -1.117469738e+00 -1.117469738e+00 3.88 -1.082682077e+00 -1.082682077e+00 3.90 -1.048498619e+00 -1.048498619e+00 3.92 -1.014895224e+00 -1.014895224e+00 3.94 -9.818489644e-01 -9.818489644e-01 3.96 -9.493382989e-01 -9.493382989e-01 3.98 -9.173437610e-01 -9.173437610e-01 4.00 -8.858491344e-01 -8.858491344e-01 4.02 -8.548429953e-01 -8.548429953e-01 4.04 -8.243204102e-01 -8.243204102e-01 4.06 -7.942845183e-01 -7.942845183e-01 4.08 -7.647477169e-01 -7.647477169e-01 4.10 -7.357321867e-01 -7.357321867e-01 4.12 -7.072695785e-01 -7.072695785e-01 4.14 -6.793997136e-01 -6.793997136e-01 4.16 -6.521683837e-01 -6.521683837e-01 4.18 -6.256243500e-01 -6.256243500e-01 4.20 -5.998158318e-01 -5.998158318e-01 4.22 -5.747868414e-01 -5.747868414e-01 4.24 -5.505737645e-01 -5.505737645e-01 4.26 -5.272025656e-01 -5.272025656e-01 4.28 -5.046869173e-01 -5.046869173e-01 4.30 -4.830274240e-01 -4.830274240e-01 4.32 -4.622119595e-01 -4.622119595e-01 4.34 -4.422169865e-01 -4.422169865e-01 4.36 -4.230096108e-01 -4.230096108e-01 4.38 -4.045500503e-01 -4.045500503e-01 4.40 -3.867941885e-01 -3.867941885e-01 4.42 -3.696959150e-01 -3.696959150e-01 4.44 -3.532090368e-01 -3.532090368e-01 4.46 -3.372886385e-01 -3.372886385e-01 4.48 -3.218918770e-01 -3.218918770e-01 4.50 -3.069782891e-01 -3.069782891e-01 4.52 -2.925097608e-01 -2.925097608e-01 4.54 -2.784503452e-01 -2.784503452e-01 4.56 -2.647661160e-01 -2.647661160e-01 4.58 -2.514252091e-01 -2.514252091e-01 4.60 -2.383981483e-01 -2.383981483e-01 4.62 -2.256584766e-01 -2.256584766e-01 4.64 -2.131836477e-01 -2.131836477e-01 4.66 -2.009560756e-01 -2.009560756e-01 4.68 -1.889642038e-01 -1.889642038e-01 4.70 -1.772034416e-01 -1.772034416e-01 4.72 -1.656768228e-01 -1.656768228e-01 4.74 -1.543952648e-01 -1.543952648e-01 4.76 -1.433773464e-01 -1.433773464e-01 4.78 -1.326485663e-01 -1.326485663e-01 4.80 -1.222400974e-01 -1.222400974e-01 4.82 -1.121871052e-01 -1.121871052e-01 4.84 -1.025267347e-01 -1.025267347e-01 4.86 -9.329592597e-02 -9.329592597e-02 4.88 -8.452922139e-02 -8.452922139e-02 4.90 -7.625673978e-02 -7.625673978e-02 4.92 -6.850247555e-02 -6.850247555e-02 4.94 -6.128304012e-02 -6.128304012e-02 4.96 -5.460693761e-02 -5.460693761e-02 4.98 -4.847436358e-02 -4.847436358e-02 5.00 -4.287750618e-02 -4.287750618e-02 5.02 -3.780126969e-02 -3.780126969e-02 5.04 -3.322466021e-02 -3.322466021e-02 5.06 -2.912140152e-02 -2.912140152e-02 5.08 -2.546109285e-02 -2.546109285e-02 5.10 -2.221111899e-02 -2.221111899e-02 5.12 -1.933773848e-02 -1.933773848e-02 5.14 -1.680706289e-02 -1.680706289e-02 5.16 -1.458585395e-02 -1.458585395e-02 5.18 -1.264199470e-02 -1.264199470e-02 5.20 -1.094545066e-02 -1.094545066e-02 5.22 -9.468291260e-03 -9.468291260e-03 5.24 -8.184780926e-03 -8.184780926e-03 5.26 -7.071472067e-03 -7.071472067e-03 5.28 -6.107203990e-03 -6.107203990e-03 5.30 -5.273033290e-03 -5.273033290e-03 5.32 -4.552117238e-03 -4.552117238e-03 5.34 -3.929567650e-03 -3.929567650e-03 5.36 -3.392288835e-03 -3.392288835e-03 5.38 -2.928809842e-03 -2.928809842e-03 5.40 -2.529118333e-03 -2.529118333e-03 5.42 -2.184501098e-03 -2.184501098e-03 5.44 -1.887394413e-03 -1.887394413e-03 5.46 -1.631246063e-03 -1.631246063e-03 5.48 -1.410389864e-03 -1.410389864e-03 5.50 -1.219932780e-03 -1.219932780e-03 5.52 -1.055654275e-03 -1.055654275e-03 5.54 -9.139172107e-04 -9.139172107e-04 5.56 -7.915894388e-04 -7.915894388e-04 5.58 -6.859751345e-04 -6.859751345e-04 5.60 -5.947549086e-04 -5.947549086e-04 5.62 -5.159337498e-04 -5.159337498e-04 5.64 -4.477958969e-04 -4.477958969e-04 5.66 -3.888658104e-04 -3.888658104e-04 5.68 -3.378744803e-04 -3.378744803e-04 5.70 -2.937303875e-04 -2.937303875e-04 5.72 -2.554945048e-04 -2.554945048e-04 5.74 -2.223587982e-04 -2.223587982e-04 5.76 -1.936277533e-04 -1.936277533e-04 5.78 -1.687025080e-04 -1.687025080e-04 5.80 -1.470672334e-04 -1.470672334e-04 5.82 -1.282774443e-04 -1.282774443e-04 5.84 -1.119499698e-04 -1.119499698e-04 5.86 -9.775434876e-05 -9.775434876e-05 5.88 -8.540544618e-05 -8.540544618e-05 5.90 -7.465711844e-05 -7.465711844e-05 5.92 -6.529677643e-05 -6.529677643e-05 5.94 -5.714071872e-05 -5.714071872e-05 5.96 -5.003012462e-05 -5.003012462e-05 5.98 -4.382761273e-05 -4.382761273e-05 6.00 -3.841428423e-05 -3.841428423e-05