# 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 = AlNi2W # 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 1.598011120e+02 1.598011120e+02 1.30 1.471270586e+02 1.471270586e+02 1.32 1.354372362e+02 1.354372362e+02 1.34 1.246511377e+02 1.246511377e+02 1.36 1.146956926e+02 1.146956926e+02 1.38 1.055049159e+02 1.055049159e+02 1.40 9.701824907e+01 9.701824907e+01 1.42 8.917910270e+01 8.917910270e+01 1.44 8.193414073e+01 8.193414073e+01 1.46 7.523319325e+01 7.523319325e+01 1.48 6.902983927e+01 6.902983927e+01 1.50 6.328239200e+01 6.328239200e+01 1.52 5.795453922e+01 5.795453922e+01 1.54 5.301509705e+01 5.301509705e+01 1.56 4.843696936e+01 4.843696936e+01 1.58 4.419584325e+01 4.419584325e+01 1.60 4.026918440e+01 4.026918440e+01 1.62 3.663575983e+01 3.663575983e+01 1.64 3.327549464e+01 3.327549464e+01 1.66 3.016937397e+01 3.016937397e+01 1.68 2.729954766e+01 2.729954766e+01 1.70 2.464936514e+01 2.464936514e+01 1.72 2.220251789e+01 2.220251789e+01 1.74 1.994347379e+01 1.994347379e+01 1.76 1.785773583e+01 1.785773583e+01 1.78 1.593320943e+01 1.593320943e+01 1.80 1.415703503e+01 1.415703503e+01 1.82 1.251716088e+01 1.251716088e+01 1.84 1.100287887e+01 1.100287887e+01 1.86 9.604822206e+00 9.604822206e+00 1.88 8.314783910e+00 8.314783910e+00 1.90 7.125416409e+00 7.125416409e+00 1.92 6.029912789e+00 6.029912789e+00 1.94 5.021772195e+00 5.021772195e+00 1.96 4.094711320e+00 4.094711320e+00 1.98 3.242711181e+00 3.242711181e+00 2.00 2.460123790e+00 2.460123790e+00 2.02 1.741750676e+00 1.741750676e+00 2.04 1.082843325e+00 1.082843325e+00 2.06 4.790290579e-01 4.790290579e-01 2.08 -7.379573440e-02 -7.379573440e-02 2.10 -5.795532372e-01 -5.795532372e-01 2.12 -1.042018493e+00 -1.042018493e+00 2.14 -1.464796563e+00 -1.464796563e+00 2.16 -1.851264282e+00 -1.851264282e+00 2.18 -2.204508439e+00 -2.204508439e+00 2.20 -2.527286855e+00 -2.527286855e+00 2.22 -2.822024399e+00 -2.822024399e+00 2.24 -3.090833105e+00 -3.090833105e+00 2.26 -3.335468853e+00 -3.335468853e+00 2.28 -3.557685850e+00 -3.557685850e+00 2.30 -3.759127394e+00 -3.759127394e+00 2.32 -3.941301256e+00 -3.941301256e+00 2.34 -4.105615453e+00 -4.105615453e+00 2.36 -4.253385116e+00 -4.253385116e+00 2.38 -4.385810397e+00 -4.385810397e+00 2.40 -4.503776081e+00 -4.503776081e+00 2.42 -4.607877239e+00 -4.607877239e+00 2.44 -4.698691229e+00 -4.698691229e+00 2.46 -4.776799378e+00 -4.776799378e+00 2.48 -4.842803050e+00 -4.842803050e+00 2.50 -4.897337746e+00 -4.897337746e+00 2.52 -4.941077653e+00 -4.941077653e+00 2.54 -4.974730069e+00 -4.974730069e+00 2.56 -4.999023256e+00 -4.999023256e+00 2.58 -5.014691426e+00 -5.014691426e+00 2.60 -5.022458370e+00 -5.022458370e+00 2.62 -5.023020453e+00 -5.023020453e+00 2.64 -5.017027502e+00 -5.017027502e+00 2.66 -5.005067665e+00 -5.005067665e+00 2.68 -4.987666202e+00 -4.987666202e+00 2.70 -4.965288019e+00 -4.965288019e+00 2.72 -4.938583426e+00 -4.938583426e+00 2.74 -4.908689634e+00 -4.908689634e+00 2.76 -4.875643775e+00 -4.875643775e+00 2.78 -4.839382820e+00 -4.839382820e+00 2.80 -4.799698946e+00 -4.799698946e+00 2.82 -4.756312974e+00 -4.756312974e+00 2.84 -4.709001880e+00 -4.709001880e+00 2.86 -4.657599963e+00 -4.657599963e+00 2.88 -4.602018813e+00 -4.602018813e+00 2.90 -4.542220089e+00 -4.542220089e+00 2.92 -4.478214863e+00 -4.478214863e+00 2.94 -4.410073579e+00 -4.410073579e+00 2.96 -4.337936158e+00 -4.337936158e+00 2.98 -4.262020181e+00 -4.262020181e+00 3.00 -4.182624821e+00 -4.182624821e+00 3.02 -4.100128239e+00 -4.100128239e+00 3.04 -4.014976549e+00 -4.014976549e+00 3.06 -3.927663809e+00 -3.927663809e+00 3.08 -3.838704209e+00 -3.838704209e+00 3.10 -3.748600138e+00 -3.748600138e+00 3.12 -3.657811019e+00 -3.657811019e+00 3.14 -3.566728188e+00 -3.566728188e+00 3.16 -3.475659568e+00 -3.475659568e+00 3.18 -3.384825603e+00 -3.384825603e+00 3.20 -3.294365353e+00 -3.294365353e+00 3.22 -3.204350056e+00 -3.204350056e+00 3.24 -3.114800925e+00 -3.114800925e+00 3.26 -3.025708264e+00 -3.025708264e+00 3.28 -2.937049818e+00 -2.937049818e+00 3.30 -2.848807091e+00 -2.848807091e+00 3.32 -2.760978995e+00 -2.760978995e+00 3.34 -2.673592536e+00 -2.673592536e+00 3.36 -2.586710406e+00 -2.586710406e+00 3.38 -2.500435317e+00 -2.500435317e+00 3.40 -2.414910955e+00 -2.414910955e+00 3.42 -2.330319480e+00 -2.330319480e+00 3.44 -2.246875629e+00 -2.246875629e+00 3.46 -2.164817806e+00 -2.164817806e+00 3.48 -2.084396768e+00 -2.084396768e+00 3.50 -2.005862871e+00 -2.005862871e+00 3.52 -1.929453023e+00 -1.929453023e+00 3.54 -1.855378553e+00 -1.855378553e+00 3.56 -1.783815086e+00 -1.783815086e+00 3.58 -1.714895241e+00 -1.714895241e+00 3.60 -1.648704609e+00 -1.648704609e+00 3.62 -1.585281066e+00 -1.585281066e+00 3.64 -1.524617119e+00 -1.524617119e+00 3.66 -1.466664750e+00 -1.466664750e+00 3.68 -1.411342060e+00 -1.411342060e+00 3.70 -1.358541016e+00 -1.358541016e+00 3.72 -1.308135619e+00 -1.308135619e+00 3.74 -1.259989920e+00 -1.259989920e+00 3.76 -1.213965408e+00 -1.213965408e+00 3.78 -1.169927371e+00 -1.169927371e+00 3.80 -1.127749910e+00 -1.127749910e+00 3.82 -1.087319345e+00 -1.087319345e+00 3.84 -1.048535852e+00 -1.048535852e+00 3.86 -1.011313299e+00 -1.011313299e+00 3.88 -9.755774246e-01 -9.755774246e-01 3.90 -9.412627222e-01 -9.412627222e-01 3.92 -9.083085601e-01 -9.083085601e-01 3.94 -8.766552200e-01 -8.766552200e-01 3.96 -8.462404096e-01 -8.462404096e-01 3.98 -8.169968312e-01 -8.169968312e-01 4.00 -7.888509830e-01 -7.888509830e-01 4.02 -7.617232219e-01 -7.617232219e-01 4.04 -7.355288795e-01 -7.355288795e-01 4.06 -7.101801140e-01 -7.101801140e-01 4.08 -6.855881656e-01 -6.855881656e-01 4.10 -6.616657243e-01 -6.616657243e-01 4.12 -6.383292772e-01 -6.383292772e-01 4.14 -6.155011754e-01 -6.155011754e-01 4.16 -5.931115818e-01 -5.931115818e-01 4.18 -5.711001245e-01 -5.711001245e-01 4.20 -5.494173052e-01 -5.494173052e-01 4.22 -5.280256197e-01 -5.280256197e-01 4.24 -5.069003363e-01 -5.069003363e-01 4.26 -4.860298631e-01 -4.860298631e-01 4.28 -4.654156452e-01 -4.654156452e-01 4.30 -4.450715582e-01 -4.450715582e-01 4.32 -4.250228125e-01 -4.250228125e-01 4.34 -4.053044339e-01 -4.053044339e-01 4.36 -3.859594248e-01 -3.859594248e-01 4.38 -3.670367256e-01 -3.670367256e-01 4.40 -3.485890755e-01 -3.485890755e-01 4.42 -3.306708354e-01 -3.306708354e-01 4.44 -3.133357890e-01 -3.133357890e-01 4.46 -2.966349157e-01 -2.966349157e-01 4.48 -2.806141418e-01 -2.806141418e-01 4.50 -2.653121211e-01 -2.653121211e-01 4.52 -2.507581615e-01 -2.507581615e-01 4.54 -2.369704714e-01 -2.369704714e-01 4.56 -2.239549169e-01 -2.239549169e-01 4.58 -2.117044533e-01 -2.117044533e-01 4.60 -2.001993294e-01 -2.001993294e-01 4.62 -1.894080463e-01 -1.894080463e-01 4.64 -1.792889700e-01 -1.792889700e-01 4.66 -1.697924232e-01 -1.697924232e-01 4.68 -1.608630644e-01 -1.608630644e-01 4.70 -1.524423454e-01 -1.524423454e-01 4.72 -1.444708515e-01 -1.444708515e-01 4.74 -1.368901729e-01 -1.368901729e-01 4.76 -1.296454351e-01 -1.296454351e-01 4.78 -1.226863010e-01 -1.226863010e-01 4.80 -1.159684535e-01 -1.159684535e-01 4.82 -1.094545043e-01 -1.094545043e-01 4.84 -1.031143605e-01 -1.031143605e-01 4.86 -9.692568660e-02 -9.692568660e-02 4.88 -9.087402734e-02 -9.087402734e-02 4.90 -8.495263504e-02 -8.495263504e-02 4.92 -7.916199609e-02 -7.916199609e-02 4.94 -7.350906095e-02 -7.350906095e-02 4.96 -6.800619709e-02 -6.800619709e-02 4.98 -6.266990591e-02 -6.266990591e-02 5.00 -5.751936973e-02 -5.751936973e-02 5.02 -5.257491726e-02 -5.257491726e-02 5.04 -4.785651115e-02 -4.785651115e-02 5.06 -4.338236334e-02 -4.338236334e-02 5.08 -3.916777266e-02 -3.916777266e-02 5.10 -3.522425517e-02 -3.522425517e-02 5.12 -3.155900554e-02 -3.155900554e-02 5.14 -2.817469236e-02 -2.817469236e-02 5.16 -2.506955916e-02 -2.506955916e-02 5.18 -2.223777554e-02 -2.223777554e-02 5.20 -1.966997330e-02 -1.966997330e-02 5.22 -1.735389688e-02 -1.735389688e-02 5.24 -1.527509833e-02 -1.527509833e-02 5.26 -1.341759568e-02 -1.341759568e-02 5.28 -1.176421071e-02 -1.176421071e-02 5.30 -1.029794149e-02 -1.029794149e-02 5.32 -9.001989922e-03 -9.001989922e-03 5.34 -7.859959099e-03 -7.859959099e-03 5.36 -6.856161639e-03 -6.856161639e-03 5.38 -5.975832489e-03 -5.975832489e-03 5.40 -5.205261305e-03 -5.205261305e-03 5.42 -4.531859898e-03 -4.531859898e-03 5.44 -3.944179379e-03 -3.944179379e-03 5.46 -3.431889955e-03 -3.431889955e-03 5.48 -2.985734394e-03 -2.985734394e-03 5.50 -2.597464118e-03 -2.597464118e-03 5.52 -2.259764993e-03 -2.259764993e-03 5.54 -1.966178184e-03 -1.966178184e-03 5.56 -1.711020048e-03 -1.711020048e-03 5.58 -1.489303851e-03 -1.489303851e-03 5.60 -1.296665193e-03 -1.296665193e-03 5.62 -1.129292304e-03 -1.129292304e-03 5.64 -9.838618540e-04 -9.838618540e-04 5.66 -8.574805320e-04 -8.574805320e-04 5.68 -7.476323677e-04 -7.476323677e-04 5.70 -6.521316004e-04 -6.521316004e-04 5.72 -5.690807730e-04 -5.690807730e-04 5.74 -4.968336656e-04 -4.968336656e-04 5.76 -4.339626507e-04 -4.339626507e-04 5.78 -3.792300451e-04 -3.792300451e-04 5.80 -3.315630450e-04 -3.315630450e-04 5.82 -2.900318495e-04 -2.900318495e-04 5.84 -2.538306056e-04 -2.538306056e-04 5.86 -2.222608404e-04 -2.222608404e-04 5.88 -1.947170738e-04 -1.947170738e-04 5.90 -1.706743409e-04 -1.706743409e-04 5.92 -1.496773782e-04 -1.496773782e-04 5.94 -1.313312604e-04 -1.313312604e-04 5.96 -1.152932961e-04 -1.152932961e-04 5.98 -1.012660168e-04 -1.012660168e-04 6.00 -8.899111334e-05 -8.899111334e-05