# 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 = PdPt2Zr # 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 4.532310309e+02 4.532310309e+02 1.30 4.239805370e+02 4.239805370e+02 1.32 3.966616051e+02 3.966616051e+02 1.34 3.711275688e+02 3.711275688e+02 1.36 3.472438292e+02 3.472438292e+02 1.38 3.248887837e+02 3.248887837e+02 1.40 3.039552039e+02 3.039552039e+02 1.42 2.843511188e+02 2.843511188e+02 1.44 2.659951045e+02 2.659951045e+02 1.46 2.488079654e+02 2.488079654e+02 1.48 2.327087664e+02 2.327087664e+02 1.50 2.176174697e+02 2.176174697e+02 1.52 2.034589488e+02 2.034589488e+02 1.54 1.901642375e+02 1.901642375e+02 1.56 1.776697532e+02 1.776697532e+02 1.58 1.659161580e+02 1.659161580e+02 1.60 1.548480874e+02 1.548480874e+02 1.62 1.444143948e+02 1.444143948e+02 1.64 1.345686119e+02 1.345686119e+02 1.66 1.252692416e+02 1.252692416e+02 1.68 1.164801617e+02 1.164801617e+02 1.70 1.081705894e+02 1.081705894e+02 1.72 1.003142195e+02 1.003142195e+02 1.74 9.288720100e+01 9.288720100e+01 1.76 8.586578112e+01 8.586578112e+01 1.78 7.922490894e+01 7.922490894e+01 1.80 7.293873987e+01 7.293873987e+01 1.82 6.698244625e+01 6.698244625e+01 1.84 6.133469589e+01 6.133469589e+01 1.86 5.597912732e+01 5.597912732e+01 1.88 5.090380406e+01 5.090380406e+01 1.90 4.615131845e+01 4.615131845e+01 1.92 4.177850438e+01 4.177850438e+01 1.94 3.775975192e+01 3.775975192e+01 1.96 3.406744469e+01 3.406744469e+01 1.98 3.067405614e+01 3.067405614e+01 2.00 2.755336222e+01 2.755336222e+01 2.02 2.468132434e+01 2.468132434e+01 2.04 2.203647633e+01 2.203647633e+01 2.06 1.959991302e+01 1.959991302e+01 2.08 1.735504192e+01 1.735504192e+01 2.10 1.528721154e+01 1.528721154e+01 2.12 1.338325144e+01 1.338325144e+01 2.14 1.163106279e+01 1.163106279e+01 2.16 1.001930384e+01 1.001930384e+01 2.18 8.537251387e+00 8.537251387e+00 2.20 7.174824303e+00 7.174824303e+00 2.22 5.922663375e+00 5.922663375e+00 2.24 4.772204374e+00 4.772204374e+00 2.26 3.715701340e+00 3.715701340e+00 2.28 2.746204758e+00 2.746204758e+00 2.30 1.857496908e+00 1.857496908e+00 2.32 1.044022654e+00 1.044022654e+00 2.34 3.007741851e-01 3.007741851e-01 2.36 -3.767931227e-01 -3.767931227e-01 2.38 -9.928577619e-01 -9.928577619e-01 2.40 -1.551316150e+00 -1.551316150e+00 2.42 -2.055862730e+00 -2.055862730e+00 2.44 -2.510055851e+00 -2.510055851e+00 2.46 -2.917381357e+00 -2.917381357e+00 2.48 -3.281295613e+00 -3.281295613e+00 2.50 -3.605245700e+00 -3.605245700e+00 2.52 -3.892659618e+00 -3.892659618e+00 2.54 -4.146903518e+00 -4.146903518e+00 2.56 -4.371210004e+00 -4.371210004e+00 2.58 -4.568591887e+00 -4.568591887e+00 2.60 -4.741764255e+00 -4.741764255e+00 2.62 -4.893095806e+00 -4.893095806e+00 2.64 -5.024636495e+00 -5.024636495e+00 2.66 -5.138111027e+00 -5.138111027e+00 2.68 -5.234887748e+00 -5.234887748e+00 2.70 -5.316142807e+00 -5.316142807e+00 2.72 -5.383982458e+00 -5.383982458e+00 2.74 -5.440562380e+00 -5.440562380e+00 2.76 -5.486209628e+00 -5.486209628e+00 2.78 -5.521254437e+00 -5.521254437e+00 2.80 -5.546049119e+00 -5.546049119e+00 2.82 -5.560924935e+00 -5.560924935e+00 2.84 -5.566159338e+00 -5.566159338e+00 2.86 -5.562066553e+00 -5.562066553e+00 2.88 -5.549020561e+00 -5.549020561e+00 2.90 -5.527464393e+00 -5.527464393e+00 2.92 -5.497918650e+00 -5.497918650e+00 2.94 -5.460984599e+00 -5.460984599e+00 2.96 -5.417337442e+00 -5.417337442e+00 2.98 -5.367758474e+00 -5.367758474e+00 3.00 -5.313222677e+00 -5.313222677e+00 3.02 -5.254395754e+00 -5.254395754e+00 3.04 -5.191865581e+00 -5.191865581e+00 3.06 -5.126162283e+00 -5.126162283e+00 3.08 -5.057725911e+00 -5.057725911e+00 3.10 -4.986910242e+00 -4.986910242e+00 3.12 -4.913984848e+00 -4.913984848e+00 3.14 -4.839161481e+00 -4.839161481e+00 3.16 -4.762594135e+00 -4.762594135e+00 3.18 -4.684413207e+00 -4.684413207e+00 3.20 -4.604753163e+00 -4.604753163e+00 3.22 -4.523748240e+00 -4.523748240e+00 3.24 -4.441533499e+00 -4.441533499e+00 3.26 -4.358252773e+00 -4.358252773e+00 3.28 -4.274063656e+00 -4.274063656e+00 3.30 -4.189138923e+00 -4.189138923e+00 3.32 -4.103663925e+00 -4.103663925e+00 3.34 -4.017830384e+00 -4.017830384e+00 3.36 -3.931828056e+00 -3.931828056e+00 3.38 -3.845836403e+00 -3.845836403e+00 3.40 -3.760017413e+00 -3.760017413e+00 3.42 -3.674515848e+00 -3.674515848e+00 3.44 -3.589453371e+00 -3.589453371e+00 3.46 -3.504934365e+00 -3.504934365e+00 3.48 -3.421047634e+00 -3.421047634e+00 3.50 -3.337869094e+00 -3.337869094e+00 3.52 -3.255463803e+00 -3.255463803e+00 3.54 -3.173887129e+00 -3.173887129e+00 3.56 -3.093185167e+00 -3.093185167e+00 3.58 -3.013394626e+00 -3.013394626e+00 3.60 -2.934542451e+00 -2.934542451e+00 3.62 -2.856645426e+00 -2.856645426e+00 3.64 -2.779715586e+00 -2.779715586e+00 3.66 -2.703811450e+00 -2.703811450e+00 3.68 -2.629004852e+00 -2.629004852e+00 3.70 -2.555344312e+00 -2.555344312e+00 3.72 -2.482858434e+00 -2.482858434e+00 3.74 -2.411560098e+00 -2.411560098e+00 3.76 -2.341450866e+00 -2.341450866e+00 3.78 -2.272525395e+00 -2.272525395e+00 3.80 -2.204775599e+00 -2.204775599e+00 3.82 -2.138194194e+00 -2.138194194e+00 3.84 -2.072777270e+00 -2.072777270e+00 3.86 -2.008525611e+00 -2.008525611e+00 3.88 -1.945444693e+00 -1.945444693e+00 3.90 -1.883543520e+00 -1.883543520e+00 3.92 -1.822831507e+00 -1.822831507e+00 3.94 -1.763321706e+00 -1.763321706e+00 3.96 -1.705021114e+00 -1.705021114e+00 3.98 -1.647936006e+00 -1.647936006e+00 4.00 -1.592071095e+00 -1.592071095e+00 4.02 -1.537431275e+00 -1.537431275e+00 4.04 -1.484024063e+00 -1.484024063e+00 4.06 -1.431862182e+00 -1.431862182e+00 4.08 -1.380965756e+00 -1.380965756e+00 4.10 -1.331360144e+00 -1.331360144e+00 4.12 -1.283090601e+00 -1.283090601e+00 4.14 -1.236197747e+00 -1.236197747e+00 4.16 -1.190731189e+00 -1.190731189e+00 4.18 -1.146741164e+00 -1.146741164e+00 4.20 -1.104273839e+00 -1.104273839e+00 4.22 -1.063366415e+00 -1.063366415e+00 4.24 -1.024042669e+00 -1.024042669e+00 4.26 -9.863094734e-01 -9.863094734e-01 4.28 -9.501546888e-01 -9.501546888e-01 4.30 -9.155466065e-01 -9.155466065e-01 4.32 -8.824348721e-01 -8.824348721e-01 4.34 -8.507526261e-01 -8.507526261e-01 4.36 -8.204194729e-01 -8.204194729e-01 4.38 -7.913448551e-01 -7.913448551e-01 4.40 -7.634314481e-01 -7.634314481e-01 4.42 -7.365782848e-01 -7.365782848e-01 4.44 -7.106834299e-01 -7.106834299e-01 4.46 -6.856461349e-01 -6.856461349e-01 4.48 -6.613684888e-01 -6.613684888e-01 4.50 -6.377566416e-01 -6.377566416e-01 4.52 -6.147217106e-01 -6.147217106e-01 4.54 -5.921804901e-01 -5.921804901e-01 4.56 -5.700560794e-01 -5.700560794e-01 4.58 -5.482785286e-01 -5.482785286e-01 4.60 -5.267855756e-01 -5.267855756e-01 4.62 -5.055235203e-01 -5.055235203e-01 4.64 -4.844482467e-01 -4.844482467e-01 4.66 -4.635263682e-01 -4.635263682e-01 4.68 -4.427364321e-01 -4.427364321e-01 4.70 -4.220700817e-01 -4.220700817e-01 4.72 -4.015330372e-01 -4.015330372e-01 4.74 -3.811457341e-01 -3.811457341e-01 4.76 -3.609434444e-01 -3.609434444e-01 4.78 -3.409757194e-01 -3.409757194e-01 4.80 -3.213019799e-01 -3.213019799e-01 4.82 -3.020020236e-01 -3.020020236e-01 4.84 -2.831530539e-01 -2.831530539e-01 4.86 -2.648399082e-01 -2.648399082e-01 4.88 -2.471472429e-01 -2.471472429e-01 4.90 -2.301552763e-01 -2.301552763e-01 4.92 -2.139357720e-01 -2.139357720e-01 4.94 -1.985486053e-01 -1.985486053e-01 4.96 -1.840391869e-01 -1.840391869e-01 4.98 -1.704369155e-01 -1.704369155e-01 5.00 -1.577547081e-01 -1.577547081e-01 5.02 -1.459895367e-01 -1.459895367e-01 5.04 -1.351238076e-01 -1.351238076e-01 5.06 -1.251273578e-01 -1.251273578e-01 5.08 -1.159598234e-01 -1.159598234e-01 5.10 -1.075731464e-01 -1.075731464e-01 5.12 -9.991402670e-02 -9.991402670e-02 5.14 -9.292617228e-02 -9.292617228e-02 5.16 -8.655225638e-02 -8.655225638e-02 5.18 -8.073553709e-02 -8.073553709e-02 5.20 -7.542113171e-02 -7.542113171e-02 5.22 -7.055697141e-02 -7.055697141e-02 5.24 -6.609447064e-02 -6.609447064e-02 5.26 -6.198889584e-02 -6.198889584e-02 5.28 -5.819953064e-02 -5.819953064e-02 5.30 -5.469028015e-02 -5.469028015e-02 5.32 -5.142921433e-02 -5.142921433e-02 5.34 -4.838844830e-02 -4.838844830e-02 5.36 -4.554399906e-02 -4.554399906e-02 5.38 -4.287557551e-02 -4.287557551e-02 5.40 -4.036631262e-02 -4.036631262e-02 5.42 -3.800245422e-02 -3.800245422e-02 5.44 -3.577299667e-02 -3.577299667e-02 5.46 -3.366929389e-02 -3.366929389e-02 5.48 -3.168463482e-02 -3.168463482e-02 5.50 -2.981381062e-02 -2.981381062e-02 5.52 -2.805268623e-02 -2.805268623e-02 5.54 -2.639779391e-02 -2.639779391e-02 5.56 -2.484597631e-02 -2.484597631e-02 5.58 -2.339409276e-02 -2.339409276e-02 5.60 -2.203879683e-02 -2.203879683e-02 5.62 -2.077632157e-02 -2.077632157e-02 5.64 -1.960258451e-02 -1.960258451e-02 5.66 -1.851312485e-02 -1.851312485e-02 5.68 -1.750309942e-02 -1.750309942e-02 5.70 -1.656737197e-02 -1.656737197e-02 5.72 -1.570062092e-02 -1.570062092e-02 5.74 -1.489745143e-02 -1.489745143e-02 5.76 -1.415250141e-02 -1.415250141e-02 5.78 -1.346053407e-02 -1.346053407e-02 5.80 -1.281651309e-02 -1.281651309e-02 5.82 -1.221565913e-02 -1.221565913e-02 5.84 -1.165348834e-02 -1.165348834e-02 5.86 -1.112583498e-02 -1.112583498e-02 5.88 -1.062886079e-02 -1.062886079e-02 5.90 -1.015905398e-02 -1.015905398e-02 5.92 -9.713221021e-03 -9.713221021e-03 5.94 -9.288473417e-03 -9.288473417e-03 5.96 -8.882212059e-03 -8.882212059e-03 5.98 -8.492110695e-03 -8.492110695e-03 6.00 -8.116100013e-03 -8.116100013e-03