# 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 = Cu2PdPt # 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 2.056577917e+02 2.056577917e+02 1.30 1.902884574e+02 1.902884574e+02 1.32 1.760033487e+02 1.760033487e+02 1.34 1.627323386e+02 1.627323386e+02 1.36 1.504083692e+02 1.504083692e+02 1.38 1.389625410e+02 1.389625410e+02 1.40 1.283241687e+02 1.283241687e+02 1.42 1.184238664e+02 1.184238664e+02 1.44 1.091972567e+02 1.091972567e+02 1.46 1.005884731e+02 1.005884731e+02 1.48 9.255208020e+01 9.255208020e+01 1.50 8.505153247e+01 8.505153247e+01 1.52 7.805456211e+01 7.805456211e+01 1.54 7.152858479e+01 7.152858479e+01 1.56 6.543884873e+01 6.543884873e+01 1.58 5.974934066e+01 5.974934066e+01 1.60 5.442480051e+01 5.442480051e+01 1.62 4.943256581e+01 4.943256581e+01 1.64 4.476895336e+01 4.476895336e+01 1.66 4.046943033e+01 4.046943033e+01 1.68 3.650848409e+01 3.650848409e+01 1.70 3.286240769e+01 3.286240769e+01 1.72 2.951102710e+01 2.951102710e+01 1.74 2.643596818e+01 2.643596818e+01 1.76 2.361930148e+01 2.361930148e+01 1.78 2.104290153e+01 2.104290153e+01 1.80 1.868850974e+01 1.868850974e+01 1.82 1.653820234e+01 1.653820234e+01 1.84 1.457490420e+01 1.457490420e+01 1.86 1.278268529e+01 1.278268529e+01 1.88 1.114675954e+01 1.114675954e+01 1.90 9.653310686e+00 9.653310686e+00 1.92 8.289367583e+00 8.289367583e+00 1.94 7.042872363e+00 7.042872363e+00 1.96 5.902903665e+00 5.902903665e+00 1.98 4.859886585e+00 4.859886585e+00 2.00 3.905633140e+00 3.905633140e+00 2.02 3.033178461e+00 3.033178461e+00 2.04 2.236494753e+00 2.236494753e+00 2.06 1.510197921e+00 1.510197921e+00 2.08 8.493222955e-01 8.493222955e-01 2.10 2.491840047e-01 2.491840047e-01 2.12 -2.946798907e-01 -2.946798907e-01 2.14 -7.865199518e-01 -7.865199518e-01 2.16 -1.230354028e+00 -1.230354028e+00 2.18 -1.629938491e+00 -1.629938491e+00 2.20 -1.988745686e+00 -1.988745686e+00 2.22 -2.309954568e+00 -2.309954568e+00 2.24 -2.596456241e+00 -2.596456241e+00 2.26 -2.850875581e+00 -2.850875581e+00 2.28 -3.075610103e+00 -3.075610103e+00 2.30 -3.272882014e+00 -3.272882014e+00 2.32 -3.444985294e+00 -3.444985294e+00 2.34 -3.595367531e+00 -3.595367531e+00 2.36 -3.725781381e+00 -3.725781381e+00 2.38 -3.837573058e+00 -3.837573058e+00 2.40 -3.932080187e+00 -3.932080187e+00 2.42 -4.010623182e+00 -4.010623182e+00 2.44 -4.074506873e+00 -4.074506873e+00 2.46 -4.125027575e+00 -4.125027575e+00 2.48 -4.163477569e+00 -4.163477569e+00 2.50 -4.191139748e+00 -4.191139748e+00 2.52 -4.209267867e+00 -4.209267867e+00 2.54 -4.219052206e+00 -4.219052206e+00 2.56 -4.221576543e+00 -4.221576543e+00 2.58 -4.217803072e+00 -4.217803072e+00 2.60 -4.208780999e+00 -4.208780999e+00 2.62 -4.195055499e+00 -4.195055499e+00 2.64 -4.176974225e+00 -4.176974225e+00 2.66 -4.155188052e+00 -4.155188052e+00 2.68 -4.129651930e+00 -4.129651930e+00 2.70 -4.100173623e+00 -4.100173623e+00 2.72 -4.066665323e+00 -4.066665323e+00 2.74 -4.029123302e+00 -4.029123302e+00 2.76 -3.987606351e+00 -3.987606351e+00 2.78 -3.942236249e+00 -3.942236249e+00 2.80 -3.893161665e+00 -3.893161665e+00 2.82 -3.840539492e+00 -3.840539492e+00 2.84 -3.784565121e+00 -3.784565121e+00 2.86 -3.725455920e+00 -3.725455920e+00 2.88 -3.663457804e+00 -3.663457804e+00 2.90 -3.598864628e+00 -3.598864628e+00 2.92 -3.532031474e+00 -3.532031474e+00 2.94 -3.463377415e+00 -3.463377415e+00 2.96 -3.393375321e+00 -3.393375321e+00 2.98 -3.322529054e+00 -3.322529054e+00 3.00 -3.251341511e+00 -3.251341511e+00 3.02 -3.180279681e+00 -3.180279681e+00 3.04 -3.109743851e+00 -3.109743851e+00 3.06 -3.040046928e+00 -3.040046928e+00 3.08 -2.971437499e+00 -2.971437499e+00 3.10 -2.904152721e+00 -2.904152721e+00 3.12 -2.838327657e+00 -2.838327657e+00 3.14 -2.774000762e+00 -2.774000762e+00 3.16 -2.711142130e+00 -2.711142130e+00 3.18 -2.649677380e+00 -2.649677380e+00 3.20 -2.589506071e+00 -2.589506071e+00 3.22 -2.530515071e+00 -2.530515071e+00 3.24 -2.472588025e+00 -2.472588025e+00 3.26 -2.415612157e+00 -2.415612157e+00 3.28 -2.359483350e+00 -2.359483350e+00 3.30 -2.304110098e+00 -2.304110098e+00 3.32 -2.249416542e+00 -2.249416542e+00 3.34 -2.195344561e+00 -2.195344561e+00 3.36 -2.141854793e+00 -2.141854793e+00 3.38 -2.088926489e+00 -2.088926489e+00 3.40 -2.036556186e+00 -2.036556186e+00 3.42 -1.984755352e+00 -1.984755352e+00 3.44 -1.933547258e+00 -1.933547258e+00 3.46 -1.882963410e+00 -1.882963410e+00 3.48 -1.833039899e+00 -1.833039899e+00 3.50 -1.783813960e+00 -1.783813960e+00 3.52 -1.735320991e+00 -1.735320991e+00 3.54 -1.687592175e+00 -1.687592175e+00 3.56 -1.640652778e+00 -1.640652778e+00 3.58 -1.594521136e+00 -1.594521136e+00 3.60 -1.549208307e+00 -1.549208307e+00 3.62 -1.504718313e+00 -1.504718313e+00 3.64 -1.461048942e+00 -1.461048942e+00 3.66 -1.418193008e+00 -1.418193008e+00 3.68 -1.376140006e+00 -1.376140006e+00 3.70 -1.334878036e+00 -1.334878036e+00 3.72 -1.294395869e+00 -1.294395869e+00 3.74 -1.254684948e+00 -1.254684948e+00 3.76 -1.215741105e+00 -1.215741105e+00 3.78 -1.177565723e+00 -1.177565723e+00 3.80 -1.140166107e+00 -1.140166107e+00 3.82 -1.103554899e+00 -1.103554899e+00 3.84 -1.067748509e+00 -1.067748509e+00 3.86 -1.032764699e+00 -1.032764699e+00 3.88 -9.986196609e-01 -9.986196609e-01 3.90 -9.653250261e-01 -9.653250261e-01 3.92 -9.328853215e-01 -9.328853215e-01 3.94 -9.012962796e-01 -9.012962796e-01 3.96 -8.705442560e-01 -8.705442560e-01 3.98 -8.406068258e-01 -8.406068258e-01 4.00 -8.114544062e-01 -8.114544062e-01 4.02 -7.830526341e-01 -7.830526341e-01 4.04 -7.553651535e-01 -7.553651535e-01 4.06 -7.283564668e-01 -7.283564668e-01 4.08 -7.019945406e-01 -7.019945406e-01 4.10 -6.762529173e-01 -6.762529173e-01 4.12 -6.511121736e-01 -6.511121736e-01 4.14 -6.265605690e-01 -6.265605690e-01 4.16 -6.025939136e-01 -6.025939136e-01 4.18 -5.792146457e-01 -5.792146457e-01 4.20 -5.564302648e-01 -5.564302648e-01 4.22 -5.342513187e-01 -5.342513187e-01 4.24 -5.126892102e-01 -5.126892102e-01 4.26 -4.917541118e-01 -4.917541118e-01 4.28 -4.714532531e-01 -4.714532531e-01 4.30 -4.517897677e-01 -4.517897677e-01 4.32 -4.327621765e-01 -4.327621765e-01 4.34 -4.143644574e-01 -4.143644574e-01 4.36 -3.965865483e-01 -3.965865483e-01 4.38 -3.794150667e-01 -3.794150667e-01 4.40 -3.628340238e-01 -3.628340238e-01 4.42 -3.468253565e-01 -3.468253565e-01 4.44 -3.313691815e-01 -3.313691815e-01 4.46 -3.164437717e-01 -3.164437717e-01 4.48 -3.020253397e-01 -3.020253397e-01 4.50 -2.880877697e-01 -2.880877697e-01 4.52 -2.746024570e-01 -2.746024570e-01 4.54 -2.615383942e-01 -2.615383942e-01 4.56 -2.488625982e-01 -2.488625982e-01 4.58 -2.365409098e-01 -2.365409098e-01 4.60 -2.245391375e-01 -2.245391375e-01 4.62 -2.128244556e-01 -2.128244556e-01 4.64 -2.013669671e-01 -2.013669671e-01 4.66 -1.901413055e-01 -1.901413055e-01 4.68 -1.791280946e-01 -1.791280946e-01 4.70 -1.683151702e-01 -1.683151702e-01 4.72 -1.576989078e-01 -1.576989078e-01 4.74 -1.472840296e-01 -1.472840296e-01 4.76 -1.370828430e-01 -1.370828430e-01 4.78 -1.271160670e-01 -1.271160670e-01 4.80 -1.174113892e-01 -1.174113892e-01 4.82 -1.080018086e-01 -1.080018086e-01 4.84 -9.892362880e-02 -9.892362880e-02 4.86 -9.021423643e-02 -9.021423643e-02 4.88 -8.190981480e-02 -8.190981480e-02 4.90 -7.404316897e-02 -7.404316897e-02 4.92 -6.664182971e-02 -6.664182971e-02 4.94 -5.972657531e-02 -5.972657531e-02 4.96 -5.331046466e-02 -5.331046466e-02 4.98 -4.739841892e-02 -4.739841892e-02 5.00 -4.198733167e-02 -4.198733167e-02 5.02 -3.706663820e-02 -3.706663820e-02 5.04 -3.261923955e-02 -3.261923955e-02 5.06 -2.862265999e-02 -2.862265999e-02 5.08 -2.505031646e-02 -2.505031646e-02 5.10 -2.187279294e-02 -2.187279294e-02 5.12 -1.905903164e-02 -1.905903164e-02 5.14 -1.657738756e-02 -1.657738756e-02 5.16 -1.439650947e-02 -1.439650947e-02 5.18 -1.248602504e-02 -1.248602504e-02 5.20 -1.081675727e-02 -1.081675727e-02 5.22 -9.361819191e-03 -9.361819191e-03 5.24 -8.096502325e-03 -8.096502325e-03 5.26 -6.998151488e-03 -6.998151488e-03 5.28 -6.046223815e-03 -6.046223815e-03 5.30 -5.222262596e-03 -5.222262596e-03 5.32 -4.509812212e-03 -4.509812212e-03 5.34 -3.894295067e-03 -3.894295067e-03 5.36 -3.362866558e-03 -3.362866558e-03 5.38 -2.904260038e-03 -2.904260038e-03 5.40 -2.508630294e-03 -2.508630294e-03 5.42 -2.167401435e-03 -2.167401435e-03 5.44 -1.873122963e-03 -1.873122963e-03 5.46 -1.619336299e-03 -1.619336299e-03 5.48 -1.400452867e-03 -1.400452867e-03 5.50 -1.211644076e-03 -1.211644076e-03 5.52 -1.048742980e-03 -1.048742980e-03 5.54 -9.081570667e-04 -9.081570667e-04 5.56 -7.867913761e-04 -7.867913761e-04 5.58 -6.819811059e-04 -6.819811059e-04 5.60 -5.914327609e-04 -5.914327609e-04 5.62 -5.131729562e-04 -5.131729562e-04 5.64 -4.455040018e-04 -4.455040018e-04 5.66 -3.869654651e-04 -3.869654651e-04 5.68 -3.363009699e-04 -3.363009699e-04 5.70 -2.924295657e-04 -2.924295657e-04 5.72 -2.544210689e-04 -2.544210689e-04 5.74 -2.214748481e-04 -2.214748481e-04 5.76 -1.929015853e-04 -1.929015853e-04 5.78 -1.681076072e-04 -1.681076072e-04 5.80 -1.465814296e-04 -1.465814296e-04 5.82 -1.278822060e-04 -1.278822060e-04 5.84 -1.116298132e-04 -1.116298132e-04 5.86 -9.749634218e-05 -9.749634218e-05 5.88 -8.519879551e-05 -8.519879551e-05 5.90 -7.449281954e-05 -7.449281954e-05 5.92 -6.516732389e-05 -6.516732389e-05 5.94 -5.703986178e-05 -5.703986178e-05 5.96 -4.995266254e-05 -4.995266254e-05 5.98 -4.376922331e-05 -4.376922331e-05 6.00 -3.837138000e-05 -3.837138000e-05