# 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 = NiPb2Zr # 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 3.839821156e+02 3.839821156e+02 1.30 3.589109141e+02 3.589109141e+02 1.32 3.355788283e+02 3.355788283e+02 1.34 3.138506490e+02 3.138506490e+02 1.36 2.936020704e+02 2.936020704e+02 1.38 2.747193562e+02 2.747193562e+02 1.40 2.570992342e+02 2.570992342e+02 1.42 2.406486191e+02 2.406486191e+02 1.44 2.252835417e+02 2.252835417e+02 1.46 2.109271173e+02 2.109271173e+02 1.48 1.975076645e+02 1.975076645e+02 1.50 1.849581045e+02 1.849581045e+02 1.52 1.732162780e+02 1.732162780e+02 1.54 1.622250226e+02 1.622250226e+02 1.56 1.519317282e+02 1.519317282e+02 1.58 1.422876271e+02 1.422876271e+02 1.60 1.332473429e+02 1.332473429e+02 1.62 1.247688169e+02 1.247688169e+02 1.64 1.168134526e+02 1.168134526e+02 1.66 1.093460984e+02 1.093460984e+02 1.68 1.023347741e+02 1.023347741e+02 1.70 9.575017431e+01 9.575017431e+01 1.72 8.956510793e+01 8.956510793e+01 1.74 8.375407624e+01 8.375407624e+01 1.76 7.829311628e+01 7.829311628e+01 1.78 7.315981408e+01 7.315981408e+01 1.80 6.833370423e+01 6.833370423e+01 1.82 6.379564384e+01 6.379564384e+01 1.84 5.952756701e+01 5.952756701e+01 1.86 5.551874846e+01 5.551874846e+01 1.88 5.176019374e+01 5.176019374e+01 1.90 4.823606728e+01 4.823606728e+01 1.92 4.493137944e+01 4.493137944e+01 1.94 4.183188679e+01 4.183188679e+01 1.96 3.892412846e+01 3.892412846e+01 1.98 3.619549013e+01 3.619549013e+01 2.00 3.363424988e+01 3.363424988e+01 2.02 3.122957399e+01 3.122957399e+01 2.04 2.897148010e+01 2.897148010e+01 2.06 2.685079413e+01 2.685079413e+01 2.08 2.485910674e+01 2.485910674e+01 2.10 2.298873163e+01 2.298873163e+01 2.12 2.123262199e+01 2.123262199e+01 2.14 1.958426999e+01 1.958426999e+01 2.16 1.803759051e+01 1.803759051e+01 2.18 1.658682106e+01 1.658682106e+01 2.20 1.522646121e+01 1.522646121e+01 2.22 1.395124272e+01 1.395124272e+01 2.24 1.275613043e+01 1.275613043e+01 2.26 1.163634266e+01 1.163634266e+01 2.28 1.058737045e+01 1.058737045e+01 2.30 9.605002747e+00 9.605002747e+00 2.32 8.685314679e+00 8.685314679e+00 2.34 7.824633056e+00 7.824633056e+00 2.36 7.019490971e+00 7.019490971e+00 2.38 6.266578146e+00 6.266578146e+00 2.40 5.562707592e+00 5.562707592e+00 2.42 4.904802928e+00 4.904802928e+00 2.44 4.289914304e+00 4.289914304e+00 2.46 3.715244398e+00 3.715244398e+00 2.48 3.178181602e+00 3.178181602e+00 2.50 2.676323722e+00 2.676323722e+00 2.52 2.207483588e+00 2.207483588e+00 2.54 1.769674856e+00 1.769674856e+00 2.56 1.361077822e+00 1.361077822e+00 2.58 9.799628819e-01 9.799628819e-01 2.60 6.248127363e-01 6.248127363e-01 2.62 2.942157738e-01 2.942157738e-01 2.64 -1.317990361e-02 -1.317990361e-02 2.66 -2.986725904e-01 -2.986725904e-01 2.68 -5.635177536e-01 -5.635177536e-01 2.70 -8.089331758e-01 -8.089331758e-01 2.72 -1.036101315e+00 -1.036101315e+00 2.74 -1.246130103e+00 -1.246130103e+00 2.76 -1.439981644e+00 -1.439981644e+00 2.78 -1.618572244e+00 -1.618572244e+00 2.80 -1.782787665e+00 -1.782787665e+00 2.82 -1.933462816e+00 -1.933462816e+00 2.84 -2.071383193e+00 -2.071383193e+00 2.86 -2.197281561e+00 -2.197281561e+00 2.88 -2.311840885e+00 -2.311840885e+00 2.90 -2.415699396e+00 -2.415699396e+00 2.92 -2.509456032e+00 -2.509456032e+00 2.94 -2.593673966e+00 -2.593673966e+00 2.96 -2.668837614e+00 -2.668837614e+00 2.98 -2.735353814e+00 -2.735353814e+00 3.00 -2.793619957e+00 -2.793619957e+00 3.02 -2.844027907e+00 -2.844027907e+00 3.04 -2.886962297e+00 -2.886962297e+00 3.06 -2.922810671e+00 -2.922810671e+00 3.08 -2.951952155e+00 -2.951952155e+00 3.10 -2.974770251e+00 -2.974770251e+00 3.12 -2.991650925e+00 -2.991650925e+00 3.14 -3.002992413e+00 -3.002992413e+00 3.16 -3.009191838e+00 -3.009191838e+00 3.18 -3.010651627e+00 -3.010651627e+00 3.20 -3.007771891e+00 -3.007771891e+00 3.22 -3.000943795e+00 -3.000943795e+00 3.24 -2.990542780e+00 -2.990542780e+00 3.26 -2.976922936e+00 -2.976922936e+00 3.28 -2.960413305e+00 -2.960413305e+00 3.30 -2.941316088e+00 -2.941316088e+00 3.32 -2.919906167e+00 -2.919906167e+00 3.34 -2.896431219e+00 -2.896431219e+00 3.36 -2.871111983e+00 -2.871111983e+00 3.38 -2.844142734e+00 -2.844142734e+00 3.40 -2.815691106e+00 -2.815691106e+00 3.42 -2.785904567e+00 -2.785904567e+00 3.44 -2.754905345e+00 -2.754905345e+00 3.46 -2.722798838e+00 -2.722798838e+00 3.48 -2.689707685e+00 -2.689707685e+00 3.50 -2.655732879e+00 -2.655732879e+00 3.52 -2.620894553e+00 -2.620894553e+00 3.54 -2.585215570e+00 -2.585215570e+00 3.56 -2.548722664e+00 -2.548722664e+00 3.58 -2.511446430e+00 -2.511446430e+00 3.60 -2.473421378e+00 -2.473421378e+00 3.62 -2.434686100e+00 -2.434686100e+00 3.64 -2.395283549e+00 -2.395283549e+00 3.66 -2.355260976e+00 -2.355260976e+00 3.68 -2.314663114e+00 -2.314663114e+00 3.70 -2.273532814e+00 -2.273532814e+00 3.72 -2.231922309e+00 -2.231922309e+00 3.74 -2.189893990e+00 -2.189893990e+00 3.76 -2.147520787e+00 -2.147520787e+00 3.78 -2.104886381e+00 -2.104886381e+00 3.80 -2.062085071e+00 -2.062085071e+00 3.82 -2.019221008e+00 -2.019221008e+00 3.84 -1.976406528e+00 -1.976406528e+00 3.86 -1.933759351e+00 -1.933759351e+00 3.88 -1.891398608e+00 -1.891398608e+00 3.90 -1.849439928e+00 -1.849439928e+00 3.92 -1.807988297e+00 -1.807988297e+00 3.94 -1.767140718e+00 -1.767140718e+00 3.96 -1.726970286e+00 -1.726970286e+00 3.98 -1.687532445e+00 -1.687532445e+00 4.00 -1.648862373e+00 -1.648862373e+00 4.02 -1.610976322e+00 -1.610976322e+00 4.04 -1.573874214e+00 -1.573874214e+00 4.06 -1.537542909e+00 -1.537542909e+00 4.08 -1.501959625e+00 -1.501959625e+00 4.10 -1.467089221e+00 -1.467089221e+00 4.12 -1.432911347e+00 -1.432911347e+00 4.14 -1.399383948e+00 -1.399383948e+00 4.16 -1.366471828e+00 -1.366471828e+00 4.18 -1.334140530e+00 -1.334140530e+00 4.20 -1.302357046e+00 -1.302357046e+00 4.22 -1.271090329e+00 -1.271090329e+00 4.24 -1.240311698e+00 -1.240311698e+00 4.26 -1.209995235e+00 -1.209995235e+00 4.28 -1.180118199e+00 -1.180118199e+00 4.30 -1.150661509e+00 -1.150661509e+00 4.32 -1.121610269e+00 -1.121610269e+00 4.34 -1.092954302e+00 -1.092954302e+00 4.36 -1.064688661e+00 -1.064688661e+00 4.38 -1.036814001e+00 -1.036814001e+00 4.40 -1.009336768e+00 -1.009336768e+00 4.42 -9.822690863e-01 -9.822690863e-01 4.44 -9.556283041e-01 -9.556283041e-01 4.46 -9.294361415e-01 -9.294361415e-01 4.48 -9.037174754e-01 -9.037174754e-01 4.50 -8.784988256e-01 -8.784988256e-01 4.52 -8.538066700e-01 -8.538066700e-01 4.54 -8.296657504e-01 -8.296657504e-01 4.56 -8.060975373e-01 -8.060975373e-01 4.58 -7.831190039e-01 -7.831190039e-01 4.60 -7.607418079e-01 -7.607418079e-01 4.62 -7.389719246e-01 -7.389719246e-01 4.64 -7.178097067e-01 -7.178097067e-01 4.66 -6.972503024e-01 -6.972503024e-01 4.68 -6.772843294e-01 -6.772843294e-01 4.70 -6.578986981e-01 -6.578986981e-01 4.72 -6.390774799e-01 -6.390774799e-01 4.74 -6.208027451e-01 -6.208027451e-01 4.76 -6.030553104e-01 -6.030553104e-01 4.78 -5.858153686e-01 -5.858153686e-01 4.80 -5.690585665e-01 -5.690585665e-01 4.82 -5.527747938e-01 -5.527747938e-01 4.84 -5.369396009e-01 -5.369396009e-01 4.86 -5.215345130e-01 -5.215345130e-01 4.88 -5.065418240e-01 -5.065418240e-01 4.90 -4.919446387e-01 -4.919446387e-01 4.92 -4.777268787e-01 -4.777268787e-01 4.94 -4.638732675e-01 -4.638732675e-01 4.96 -4.503693066e-01 -4.503693066e-01 4.98 -4.372012523e-01 -4.372012523e-01 5.00 -4.243560982e-01 -4.243560982e-01 5.02 -4.118215708e-01 -4.118215708e-01 5.04 -3.995861377e-01 -3.995861377e-01 5.06 -3.876390289e-01 -3.876390289e-01 5.08 -3.759702716e-01 -3.759702716e-01 5.10 -3.645707328e-01 -3.645707328e-01 5.12 -3.534321654e-01 -3.534321654e-01 5.14 -3.425472535e-01 -3.425472535e-01 5.16 -3.319096476e-01 -3.319096476e-01 5.18 -3.215139845e-01 -3.215139845e-01 5.20 -3.113558855e-01 -3.113558855e-01 5.22 -3.014319279e-01 -3.014319279e-01 5.24 -2.917395884e-01 -2.917395884e-01 5.26 -2.822771585e-01 -2.822771585e-01 5.28 -2.730436367e-01 -2.730436367e-01 5.30 -2.640386026e-01 -2.640386026e-01 5.32 -2.552620831e-01 -2.552620831e-01 5.34 -2.467144160e-01 -2.467144160e-01 5.36 -2.383961193e-01 -2.383961193e-01 5.38 -2.303077675e-01 -2.303077675e-01 5.40 -2.224498759e-01 -2.224498759e-01 5.42 -2.148227868e-01 -2.148227868e-01 5.44 -2.074265546e-01 -2.074265546e-01 5.46 -2.002608226e-01 -2.002608226e-01 5.48 -1.933246908e-01 -1.933246908e-01 5.50 -1.866165768e-01 -1.866165768e-01 5.52 -1.801340781e-01 -1.801340781e-01 5.54 -1.738738470e-01 -1.738738470e-01 5.56 -1.678314945e-01 -1.678314945e-01 5.58 -1.620015336e-01 -1.620015336e-01 5.60 -1.563773741e-01 -1.563773741e-01 5.62 -1.509513718e-01 -1.509513718e-01 5.64 -1.457149302e-01 -1.457149302e-01 5.66 -1.406586459e-01 -1.406586459e-01 5.68 -1.357724869e-01 -1.357724869e-01 5.70 -1.310459893e-01 -1.310459893e-01 5.72 -1.264684590e-01 -1.264684590e-01 5.74 -1.220291676e-01 -1.220291676e-01 5.76 -1.177175326e-01 -1.177175326e-01 5.78 -1.135232790e-01 -1.135232790e-01 5.80 -1.094365772e-01 -1.094365772e-01 5.82 -1.054481590e-01 -1.054481590e-01 5.84 -1.015494135e-01 -1.015494135e-01 5.86 -9.773246289e-02 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