# 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 = Cu2NiPt # 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 1.543216781e+02 1.543216781e+02 1.30 1.423014363e+02 1.423014363e+02 1.32 1.311467068e+02 1.311467068e+02 1.34 1.208043926e+02 1.208043926e+02 1.36 1.112233467e+02 1.112233467e+02 1.38 1.023485398e+02 1.023485398e+02 1.40 9.412051433e+01 9.412051433e+01 1.42 8.647907542e+01 8.647907542e+01 1.44 7.936839571e+01 7.936839571e+01 1.46 7.274120753e+01 7.274120753e+01 1.48 6.656031798e+01 6.656031798e+01 1.50 6.079665860e+01 6.079665860e+01 1.52 5.542509619e+01 5.542509619e+01 1.54 5.042061049e+01 5.042061049e+01 1.56 4.575665753e+01 4.575665753e+01 1.58 4.140559288e+01 4.140559288e+01 1.60 3.734003204e+01 3.734003204e+01 1.62 3.355836801e+01 3.355836801e+01 1.64 3.008403583e+01 3.008403583e+01 1.66 2.689169445e+01 2.689169445e+01 1.68 2.395962220e+01 2.395962220e+01 1.70 2.127050337e+01 2.127050337e+01 1.72 1.881001357e+01 1.881001357e+01 1.74 1.656507176e+01 1.656507176e+01 1.76 1.452227186e+01 1.452227186e+01 1.78 1.266706819e+01 1.266706819e+01 1.80 1.098392931e+01 1.098392931e+01 1.82 9.457133789e+00 9.457133789e+00 1.84 8.071622531e+00 8.071622531e+00 1.86 6.813497996e+00 6.813497996e+00 1.88 5.670125860e+00 5.670125860e+00 1.90 4.630040153e+00 4.630040153e+00 1.92 3.682866003e+00 3.682866003e+00 1.94 2.819346392e+00 2.819346392e+00 1.96 2.031429906e+00 2.031429906e+00 1.98 1.312317499e+00 1.312317499e+00 2.00 6.563851843e-01 6.563851843e-01 2.02 5.897320704e-02 5.897320704e-02 2.04 -4.838937345e-01 -4.838937345e-01 2.06 -9.757687231e-01 -9.757687231e-01 2.08 -1.419971973e+00 -1.419971973e+00 2.10 -1.819696280e+00 -1.819696280e+00 2.12 -2.178044601e+00 -2.178044601e+00 2.14 -2.498023706e+00 -2.498023706e+00 2.16 -2.782517432e+00 -2.782517432e+00 2.18 -3.034259959e+00 -3.034259959e+00 2.20 -3.255822607e+00 -3.255822607e+00 2.22 -3.449617643e+00 -3.449617643e+00 2.24 -3.617915073e+00 -3.617915073e+00 2.26 -3.762866971e+00 -3.762866971e+00 2.28 -3.886539644e+00 -3.886539644e+00 2.30 -3.992123773e+00 -3.992123773e+00 2.32 -4.082059959e+00 -4.082059959e+00 2.34 -4.157659612e+00 -4.157659612e+00 2.36 -4.220212623e+00 -4.220212623e+00 2.38 -4.270924360e+00 -4.270924360e+00 2.40 -4.310867051e+00 -4.310867051e+00 2.42 -4.340964818e+00 -4.340964818e+00 2.44 -4.362014707e+00 -4.362014707e+00 2.46 -4.374728544e+00 -4.374728544e+00 2.48 -4.379780570e+00 -4.379780570e+00 2.50 -4.377846863e+00 -4.377846863e+00 2.52 -4.369622173e+00 -4.369622173e+00 2.54 -4.355813084e+00 -4.355813084e+00 2.56 -4.337110169e+00 -4.337110169e+00 2.58 -4.314149619e+00 -4.314149619e+00 2.60 -4.287476573e+00 -4.287476573e+00 2.62 -4.257842368e+00 -4.257842368e+00 2.64 -4.225337908e+00 -4.225337908e+00 2.66 -4.189720074e+00 -4.189720074e+00 2.68 -4.150840661e+00 -4.150840661e+00 2.70 -4.108649576e+00 -4.108649576e+00 2.72 -4.063189513e+00 -4.063189513e+00 2.74 -4.014579414e+00 -4.014579414e+00 2.76 -3.962988372e+00 -3.962988372e+00 2.78 -3.908614912e+00 -3.908614912e+00 2.80 -3.851686065e+00 -3.851686065e+00 2.82 -3.792403616e+00 -3.792403616e+00 2.84 -3.730932931e+00 -3.730932931e+00 2.86 -3.667416347e+00 -3.667416347e+00 2.88 -3.601995250e+00 -3.601995250e+00 2.90 -3.534834849e+00 -3.534834849e+00 2.92 -3.466145515e+00 -3.466145515e+00 2.94 -3.396195343e+00 -3.396195343e+00 2.96 -3.325310207e+00 -3.325310207e+00 2.98 -3.253860106e+00 -3.253860106e+00 3.00 -3.182233909e+00 -3.182233909e+00 3.02 -3.110807870e+00 -3.110807870e+00 3.04 -3.039946194e+00 -3.039946194e+00 3.06 -2.970045037e+00 -2.970045037e+00 3.08 -2.901400467e+00 -2.901400467e+00 3.10 -2.834186741e+00 -2.834186741e+00 3.12 -2.768478145e+00 -2.768478145e+00 3.14 -2.704274841e+00 -2.704274841e+00 3.16 -2.641527409e+00 -2.641527409e+00 3.18 -2.580157043e+00 -2.580157043e+00 3.20 -2.520070416e+00 -2.520070416e+00 3.22 -2.461169723e+00 -2.461169723e+00 3.24 -2.403359078e+00 -2.403359078e+00 3.26 -2.346548515e+00 -2.346548515e+00 3.28 -2.290656598e+00 -2.290656598e+00 3.30 -2.235612267e+00 -2.235612267e+00 3.32 -2.181356181e+00 -2.181356181e+00 3.34 -2.127841609e+00 -2.127841609e+00 3.36 -2.075034747e+00 -2.075034747e+00 3.38 -2.022914372e+00 -2.022914372e+00 3.40 -1.971470773e+00 -1.971470773e+00 3.42 -1.920704043e+00 -1.920704043e+00 3.44 -1.870621856e+00 -1.870621856e+00 3.46 -1.821236992e+00 -1.821236992e+00 3.48 -1.772564825e+00 -1.772564825e+00 3.50 -1.724621012e+00 -1.724621012e+00 3.52 -1.677419550e+00 -1.677419550e+00 3.54 -1.630971319e+00 -1.630971319e+00 3.56 -1.585283137e+00 -1.585283137e+00 3.58 -1.540357353e+00 -1.540357353e+00 3.60 -1.496191919e+00 -1.496191919e+00 3.62 -1.452780916e+00 -1.452780916e+00 3.64 -1.410115481e+00 -1.410115481e+00 3.66 -1.368185088e+00 -1.368185088e+00 3.68 -1.326979130e+00 -1.326979130e+00 3.70 -1.286488717e+00 -1.286488717e+00 3.72 -1.246708563e+00 -1.246708563e+00 3.74 -1.207638780e+00 -1.207638780e+00 3.76 -1.169286319e+00 -1.169286319e+00 3.78 -1.131665793e+00 -1.131665793e+00 3.80 -1.094799370e+00 -1.094799370e+00 3.82 -1.058715573e+00 -1.058715573e+00 3.84 -1.023446909e+00 -1.023446909e+00 3.86 -9.890265034e-01 -9.890265034e-01 3.88 -9.554841266e-01 -9.554841266e-01 3.90 -9.228421653e-01 -9.228421653e-01 3.92 -8.911121493e-01 -8.911121493e-01 3.94 -8.602923862e-01 -8.602923862e-01 3.96 -8.303670290e-01 -8.303670290e-01 3.98 -8.013066935e-01 -8.013066935e-01 4.00 -7.730704506e-01 -7.730704506e-01 4.02 -7.456088648e-01 -7.456088648e-01 4.04 -7.188676489e-01 -7.188676489e-01 4.06 -6.927915032e-01 -6.927915032e-01 4.08 -6.673277560e-01 -6.673277560e-01 4.10 -6.424294943e-01 -6.424294943e-01 4.12 -6.180579749e-01 -6.180579749e-01 4.14 -5.941841171e-01 -5.941841171e-01 4.16 -5.707890625e-01 -5.707890625e-01 4.18 -5.478637619e-01 -5.478637619e-01 4.20 -5.254077174e-01 -5.254077174e-01 4.22 -5.034270845e-01 -5.034270845e-01 4.24 -4.819324343e-01 -4.819324343e-01 4.26 -4.609365201e-01 -4.609365201e-01 4.28 -4.404523829e-01 -4.404523829e-01 4.30 -4.204920468e-01 -4.204920468e-01 4.32 -4.010659229e-01 -4.010659229e-01 4.34 -3.821828796e-01 -3.821828796e-01 4.36 -3.638507953e-01 -3.638507953e-01 4.38 -3.460773107e-01 -3.460773107e-01 4.40 -3.288704713e-01 -3.288704713e-01 4.42 -3.122389931e-01 -3.122389931e-01 4.44 -2.961919844e-01 -2.961919844e-01 4.46 -2.807380893e-01 -2.807380893e-01 4.48 -2.658841543e-01 -2.658841543e-01 4.50 -2.516336290e-01 -2.516336290e-01 4.52 -2.379849751e-01 -2.379849751e-01 4.54 -2.249303625e-01 -2.249303625e-01 4.56 -2.124548874e-01 -2.124548874e-01 4.58 -2.005364572e-01 -2.005364572e-01 4.60 -1.891463863e-01 -1.891463863e-01 4.62 -1.782506419e-01 -1.782506419e-01 4.64 -1.678116159e-01 -1.678116159e-01 4.66 -1.577902359e-01 -1.577902359e-01 4.68 -1.481481859e-01 -1.481481859e-01 4.70 -1.388500843e-01 -1.388500843e-01 4.72 -1.298660700e-01 -1.298660700e-01 4.74 -1.211718765e-01 -1.211718765e-01 4.76 -1.127503030e-01 -1.127503030e-01 4.78 -1.045927945e-01 -1.045927945e-01 4.80 -9.669883796e-02 -9.669883796e-02 4.82 -8.907526304e-02 -8.907526304e-02 4.84 -8.173502792e-02 -8.173502792e-02 4.86 -7.469558754e-02 -7.469558754e-02 4.88 -6.797697619e-02 -6.797697619e-02 4.90 -6.159977712e-02 -6.159977712e-02 4.92 -5.558315978e-02 -5.558315977e-02 4.94 -4.994315379e-02 -4.994315379e-02 4.96 -4.469129518e-02 -4.469129518e-02 4.98 -3.983372936e-02 -3.983372936e-02 5.00 -3.537079822e-02 -3.537079822e-02 5.02 -3.129708362e-02 -3.129708362e-02 5.04 -2.760183595e-02 -2.760183595e-02 5.06 -2.426968964e-02 -2.426968964e-02 5.08 -2.128155719e-02 -2.128155719e-02 5.10 -1.861559713e-02 -1.861559713e-02 5.12 -1.624817417e-02 -1.624817417e-02 5.14 -1.415474203e-02 -1.415474203e-02 5.16 -1.231057747e-02 -1.231057747e-02 5.18 -1.069114973e-02 -1.069114973e-02 5.20 -9.273374037e-03 -9.273374037e-03 5.22 -8.035498559e-03 -8.035498559e-03 5.24 -6.957203751e-03 -6.957203751e-03 5.26 -6.019770050e-03 -6.019770050e-03 5.28 -5.206149292e-03 -5.206149292e-03 5.30 -4.500963872e-03 -4.500963872e-03 5.32 -3.890454229e-03 -3.890454229e-03 5.34 -3.362391615e-03 -3.362391615e-03 5.36 -2.905969531e-03 -2.905969531e-03 5.38 -2.511684036e-03 -2.511684036e-03 5.40 -2.171210444e-03 -2.171210444e-03 5.42 -1.877281721e-03 -1.877281721e-03 5.44 -1.623572132e-03 -1.623572132e-03 5.46 -1.404588374e-03 -1.404588374e-03 5.48 -1.215569420e-03 -1.215569420e-03 5.50 -1.052395590e-03 -1.052395590e-03 5.52 -9.115068708e-04 -9.115068708e-04 5.54 -7.898301509e-04 -7.898301509e-04 5.56 -6.847148574e-04 -6.847148574e-04 5.58 -5.938763356e-04 -5.938763356e-04 5.60 -5.153462772e-04 -5.153462772e-04 5.62 -4.474294851e-04 -4.474294851e-04 5.64 -3.886662829e-04 -3.886662829e-04 5.66 -3.377999204e-04 -3.377999204e-04 5.68 -2.937483690e-04 -2.937483690e-04 5.70 -2.555799616e-04 -2.555799616e-04 5.72 -2.224923816e-04 -2.224923816e-04 5.74 -1.937945618e-04 -1.937945618e-04 5.76 -1.688911043e-04 -1.688911043e-04 5.78 -1.472688810e-04 -1.472688810e-04 5.80 -1.284855136e-04 -1.284855136e-04 5.82 -1.121594757e-04 -1.121594757e-04 5.84 -9.796158870e-05 -9.796158870e-05 5.86 -8.560771744e-05 -8.560771744e-05 5.88 -7.485249613e-05 -7.485249613e-05 5.90 -6.548393933e-05 -6.548393933e-05 5.92 -5.731881233e-05 -5.731881233e-05 5.94 -5.019865336e-05 -5.019865336e-05 5.96 -4.398635508e-05 -4.398635508e-05 5.98 -3.856322588e-05 -3.856322588e-05 6.00 -3.382646289e-05 -3.382646289e-05