# 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 = Ni2TiZr # 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 1.947269285e+02 1.947269285e+02 1.30 1.796427621e+02 1.796427621e+02 1.32 1.657084927e+02 1.657084927e+02 1.34 1.528265979e+02 1.528265979e+02 1.36 1.409105026e+02 1.409105026e+02 1.38 1.298846157e+02 1.298846157e+02 1.40 1.196822187e+02 1.196822187e+02 1.42 1.102426299e+02 1.102426299e+02 1.44 1.015091820e+02 1.015091820e+02 1.46 9.342848692e+01 9.342848692e+01 1.48 8.595043065e+01 8.595043065e+01 1.50 7.902817773e+01 7.902817773e+01 1.52 7.261812643e+01 7.261812643e+01 1.54 6.667995187e+01 6.667995187e+01 1.56 6.117671326e+01 6.117671326e+01 1.58 5.607486609e+01 5.607486609e+01 1.60 5.134407065e+01 5.134407065e+01 1.62 4.695689983e+01 4.695689983e+01 1.64 4.288851368e+01 4.288851368e+01 1.66 3.911622428e+01 3.911622428e+01 1.68 3.561896805e+01 3.561896805e+01 1.70 3.237693472e+01 3.237693472e+01 1.72 2.937139331e+01 2.937139331e+01 1.74 2.658473681e+01 2.658473681e+01 1.76 2.400060854e+01 2.400060854e+01 1.78 2.160404239e+01 2.160404239e+01 1.80 1.938174108e+01 1.938174108e+01 1.82 1.732204814e+01 1.732204814e+01 1.84 1.541415500e+01 1.541415500e+01 1.86 1.364804809e+01 1.364804809e+01 1.88 1.201435970e+01 1.201435970e+01 1.90 1.050424252e+01 1.050424252e+01 1.92 9.109230063e+00 9.109230063e+00 1.94 7.821194096e+00 7.821194096e+00 1.96 6.632361663e+00 6.632361663e+00 1.98 5.535421531e+00 5.535421531e+00 2.00 4.523626063e+00 4.523626063e+00 2.02 3.590815855e+00 3.590815855e+00 2.04 2.731368756e+00 2.731368756e+00 2.06 1.940116023e+00 1.940116023e+00 2.08 1.212267551e+00 1.212267551e+00 2.10 5.433743771e-01 5.433743771e-01 2.12 -7.067878774e-02 -7.067878774e-02 2.14 -6.336787348e-01 -6.336787348e-01 2.16 -1.149090261e+00 -1.149090261e+00 2.18 -1.620097027e+00 -1.620097027e+00 2.20 -2.049661631e+00 -2.049661631e+00 2.22 -2.440606903e+00 -2.440606903e+00 2.24 -2.795671277e+00 -2.795671277e+00 2.26 -3.117524658e+00 -3.117524658e+00 2.28 -3.408758064e+00 -3.408758064e+00 2.30 -3.671834027e+00 -3.671834027e+00 2.32 -3.909079533e+00 -3.909079533e+00 2.34 -4.122644619e+00 -4.122644619e+00 2.36 -4.314504460e+00 -4.314504460e+00 2.38 -4.486444689e+00 -4.486444689e+00 2.40 -4.640058269e+00 -4.640058269e+00 2.42 -4.776761615e+00 -4.776761615e+00 2.44 -4.897818790e+00 -4.897818790e+00 2.46 -5.004380609e+00 -5.004380609e+00 2.48 -5.097513532e+00 -5.097513532e+00 2.50 -5.178216103e+00 -5.178216103e+00 2.52 -5.247431238e+00 -5.247431238e+00 2.54 -5.306084584e+00 -5.306084584e+00 2.56 -5.354903647e+00 -5.354903647e+00 2.58 -5.394527462e+00 -5.394527462e+00 2.60 -5.425538734e+00 -5.425538734e+00 2.62 -5.448472428e+00 -5.448472428e+00 2.64 -5.463840604e+00 -5.463840604e+00 2.66 -5.472136768e+00 -5.472136768e+00 2.68 -5.473845411e+00 -5.473845411e+00 2.70 -5.469344204e+00 -5.469344204e+00 2.72 -5.459030684e+00 -5.459030684e+00 2.74 -5.443268619e+00 -5.443268619e+00 2.76 -5.422444670e+00 -5.422444670e+00 2.78 -5.396960010e+00 -5.396960010e+00 2.80 -5.367212679e+00 -5.367212679e+00 2.82 -5.333564517e+00 -5.333564517e+00 2.84 -5.296345416e+00 -5.296345416e+00 2.86 -5.255851413e+00 -5.255851413e+00 2.88 -5.212327975e+00 -5.212327975e+00 2.90 -5.165929934e+00 -5.165929934e+00 2.92 -5.116806076e+00 -5.116806076e+00 2.94 -5.065120515e+00 -5.065120515e+00 2.96 -5.011046705e+00 -5.011046705e+00 2.98 -4.954659941e+00 -4.954659941e+00 3.00 -4.895966094e+00 -4.895966094e+00 3.02 -4.835012799e+00 -4.835012799e+00 3.04 -4.771882796e+00 -4.771882796e+00 3.06 -4.706693842e+00 -4.706693842e+00 3.08 -4.639576319e+00 -4.639576319e+00 3.10 -4.570676359e+00 -4.570676359e+00 3.12 -4.500146270e+00 -4.500146270e+00 3.14 -4.428149455e+00 -4.428149455e+00 3.16 -4.354846639e+00 -4.354846639e+00 3.18 -4.280404260e+00 -4.280404260e+00 3.20 -4.204991664e+00 -4.204991664e+00 3.22 -4.128780626e+00 -4.128780626e+00 3.24 -4.051944860e+00 -4.051944860e+00 3.26 -3.974659494e+00 -3.974659494e+00 3.28 -3.897100138e+00 -3.897100138e+00 3.30 -3.819440839e+00 -3.819440839e+00 3.32 -3.741850360e+00 -3.741850360e+00 3.34 -3.664486823e+00 -3.664486823e+00 3.36 -3.587491583e+00 -3.587491583e+00 3.38 -3.510983786e+00 -3.510983786e+00 3.40 -3.435055948e+00 -3.435055948e+00 3.42 -3.359777950e+00 -3.359777950e+00 3.44 -3.285192401e+00 -3.285192401e+00 3.46 -3.211324255e+00 -3.211324255e+00 3.48 -3.138185150e+00 -3.138185150e+00 3.50 -3.065779120e+00 -3.065779120e+00 3.52 -2.994107453e+00 -2.994107453e+00 3.54 -2.923172130e+00 -2.923172130e+00 3.56 -2.852977595e+00 -2.852977595e+00 3.58 -2.783530967e+00 -2.783530967e+00 3.60 -2.714841100e+00 -2.714841100e+00 3.62 -2.646917133e+00 -2.646917133e+00 3.64 -2.579767177e+00 -2.579767177e+00 3.66 -2.513397689e+00 -2.513397689e+00 3.68 -2.447813798e+00 -2.447813798e+00 3.70 -2.383020619e+00 -2.383020619e+00 3.72 -2.319025378e+00 -2.319025378e+00 3.74 -2.255840100e+00 -2.255840100e+00 3.76 -2.193484500e+00 -2.193484500e+00 3.78 -2.131988719e+00 -2.131988719e+00 3.80 -2.071395446e+00 -2.071395446e+00 3.82 -2.011760930e+00 -2.011760930e+00 3.84 -1.953154411e+00 -1.953154411e+00 3.86 -1.895655647e+00 -1.895655647e+00 3.88 -1.839350493e+00 -1.839350493e+00 3.90 -1.784324918e+00 -1.784324918e+00 3.92 -1.730656610e+00 -1.730656610e+00 3.94 -1.678415171e+00 -1.678415171e+00 3.96 -1.627646166e+00 -1.627646166e+00 3.98 -1.578375384e+00 -1.578375384e+00 4.00 -1.530605912e+00 -1.530605912e+00 4.02 -1.484319382e+00 -1.484319382e+00 4.04 -1.439478881e+00 -1.439478881e+00 4.06 -1.396032802e+00 -1.396032802e+00 4.08 -1.353918994e+00 -1.353918994e+00 4.10 -1.313064677e+00 -1.313064677e+00 4.12 -1.273406467e+00 -1.273406467e+00 4.14 -1.234866717e+00 -1.234866717e+00 4.16 -1.197374020e+00 -1.197374020e+00 4.18 -1.160859697e+00 -1.160859697e+00 4.20 -1.125258791e+00 -1.125258791e+00 4.22 -1.090510802e+00 -1.090510802e+00 4.24 -1.056560300e+00 -1.056560300e+00 4.26 -1.023357535e+00 -1.023357535e+00 4.28 -9.908590978e-01 -9.908590978e-01 4.30 -9.590286799e-01 -9.590286799e-01 4.32 -9.278379050e-01 -9.278379050e-01 4.34 -8.972671701e-01 -8.972671701e-01 4.36 -8.673063890e-01 -8.673063890e-01 4.38 -8.379554915e-01 -8.379554915e-01 4.40 -8.092245168e-01 -8.092245168e-01 4.42 -7.811331416e-01 -7.811331416e-01 4.44 -7.537095293e-01 -7.537095293e-01 4.46 -7.269884562e-01 -7.269884562e-01 4.48 -7.010087798e-01 -7.010087798e-01 4.50 -6.758104209e-01 -6.758104209e-01 4.52 -6.514311350e-01 -6.514311350e-01 4.54 -6.279034033e-01 -6.279034033e-01 4.56 -6.052517733e-01 -6.052517733e-01 4.58 -5.834909216e-01 -5.834909216e-01 4.60 -5.626245977e-01 -5.626245977e-01 4.62 -5.426454823e-01 -5.426454823e-01 4.64 -5.235358676e-01 -5.235358676e-01 4.66 -5.052689798e-01 -5.052689798e-01 4.68 -4.878107170e-01 -4.878107170e-01 4.70 -4.711215730e-01 -4.711215730e-01 4.72 -4.551585510e-01 -4.551585510e-01 4.74 -4.398769214e-01 -4.398769214e-01 4.76 -4.252317342e-01 -4.252317342e-01 4.78 -4.111790477e-01 -4.111790477e-01 4.80 -3.976736813e-01 -3.976736813e-01 4.82 -3.846832092e-01 -3.846832092e-01 4.84 -3.721675577e-01 -3.721675577e-01 4.86 -3.600938886e-01 -3.600938886e-01 4.88 -3.484328943e-01 -3.484328943e-01 4.90 -3.371588251e-01 -3.371588251e-01 4.92 -3.262494177e-01 -3.262494177e-01 4.94 -3.156857326e-01 -3.156857326e-01 4.96 -3.054519047e-01 -3.054519047e-01 4.98 -2.955348060e-01 -2.955348060e-01 5.00 -2.859236285e-01 -2.859236285e-01 5.02 -2.766093969e-01 -2.766093969e-01 5.04 -2.675844361e-01 -2.675844361e-01 5.06 -2.588418246e-01 -2.588418246e-01 5.08 -2.503748686e-01 -2.503748686e-01 5.10 -2.421764917e-01 -2.421764917e-01 5.12 -2.342392407e-01 -2.342392407e-01 5.14 -2.265549449e-01 -2.265549449e-01 5.16 -2.191145022e-01 -2.191145022e-01 5.18 -2.119079213e-01 -2.119079213e-01 5.20 -2.049244719e-01 -2.049244719e-01 5.22 -1.981529157e-01 -1.981529157e-01 5.24 -1.915817896e-01 -1.915817896e-01 5.26 -1.851997112e-01 -1.851997112e-01 5.28 -1.789956839e-01 -1.789956839e-01 5.30 -1.729593817e-01 -1.729593817e-01 5.32 -1.670813992e-01 -1.670813992e-01 5.34 -1.613534558e-01 -1.613534558e-01 5.36 -1.557685453e-01 -1.557685453e-01 5.38 -1.503210220e-01 -1.503210220e-01 5.40 -1.450066182e-01 -1.450066182e-01 5.42 -1.398223885e-01 -1.398223885e-01 5.44 -1.347665814e-01 -1.347665814e-01 5.46 -1.298384431e-01 -1.298384431e-01 5.48 -1.250379657e-01 -1.250379657e-01 5.50 -1.203655996e-01 -1.203655996e-01 5.52 -1.158219557e-01 -1.158219557e-01 5.54 -1.114075228e-01 -1.114075228e-01 5.56 -1.071224313e-01 -1.071224313e-01 5.58 -1.029662809e-01 -1.029662809e-01 5.60 -9.893793085e-02 -9.893793085e-02 5.62 -9.503567001e-02 -9.503567001e-02 5.64 -9.125741069e-02 -9.125741069e-02 5.66 -8.760059799e-02 -8.760059799e-02 5.68 -8.406238431e-02 -8.406238431e-02 5.70 -8.063981482e-02 -8.063981482e-02 5.72 -7.732999651e-02 -7.732999651e-02 5.74 -7.413022864e-02 -7.413022864e-02 5.76 -7.103807926e-02 -7.103807926e-02 5.78 -6.805140024e-02 -6.805140024e-02 5.80 -6.516828222e-02 -6.516828222e-02 5.82 -6.238695814e-02 -6.238695814e-02 5.84 -5.970567066e-02 -5.970567066e-02 5.86 -5.712252224e-02 -5.712252224e-02 5.88 -5.463532826e-02 -5.463532826e-02 5.90 -5.224149151e-02 -5.224149151e-02 5.92 -4.993791303e-02 -4.993791303e-02 5.94 -4.772094866e-02 -4.772094866e-02 5.96 -4.558641502e-02 -4.558641502e-02 5.98 -4.352964317e-02 -4.352964317e-02 6.00 -4.154557369e-02 -4.154557369e-02