# 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 = Ag2CoTi # 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 2.360311105e+02 2.360311105e+02 1.30 2.181713895e+02 2.181713895e+02 1.32 2.016745878e+02 2.016745878e+02 1.34 1.864291549e+02 1.864291549e+02 1.36 1.723329494e+02 1.723329494e+02 1.38 1.592932482e+02 1.592932482e+02 1.40 1.472260262e+02 1.472260262e+02 1.42 1.360548083e+02 1.360548083e+02 1.44 1.257095608e+02 1.257095608e+02 1.46 1.161259437e+02 1.161259437e+02 1.48 1.072449777e+02 1.072449777e+02 1.50 9.901287671e+01 9.901287671e+01 1.52 9.138067129e+01 9.138067129e+01 1.54 8.430356884e+01 8.430356884e+01 1.56 7.774034239e+01 7.774034239e+01 1.58 7.165291911e+01 7.165291911e+01 1.60 6.600608546e+01 6.600608546e+01 1.62 6.076721725e+01 6.076721725e+01 1.64 5.590601651e+01 5.590601651e+01 1.66 5.139426897e+01 5.139426897e+01 1.68 4.720582938e+01 4.720582938e+01 1.70 4.331674485e+01 4.331674485e+01 1.72 3.970720308e+01 3.970720308e+01 1.74 3.635793892e+01 3.635793892e+01 1.76 3.324997331e+01 3.324997331e+01 1.78 3.036591910e+01 3.036591910e+01 1.80 2.768982875e+01 2.768982875e+01 1.82 2.520710696e+01 2.520710696e+01 1.84 2.290441707e+01 2.290441707e+01 1.86 2.076953255e+01 2.076953255e+01 1.88 1.879114407e+01 1.879114407e+01 1.90 1.695866482e+01 1.695866482e+01 1.92 1.526207600e+01 1.526207600e+01 1.94 1.369184438e+01 1.369184438e+01 1.96 1.223892052e+01 1.223892052e+01 1.98 1.089479166e+01 1.089479166e+01 2.00 9.651538397e+00 9.651538397e+00 2.02 8.501854863e+00 8.501854863e+00 2.04 7.439023452e+00 7.439023452e+00 2.06 6.456860959e+00 6.456860959e+00 2.08 5.549660191e+00 5.549660191e+00 2.10 4.712141486e+00 4.712141486e+00 2.12 3.939413478e+00 3.939413478e+00 2.14 3.226937538e+00 3.226937538e+00 2.16 2.570495383e+00 2.570495383e+00 2.18 1.966162621e+00 1.966162621e+00 2.20 1.410288408e+00 1.410288408e+00 2.22 8.994770311e-01 8.994770311e-01 2.24 4.305689559e-01 4.305689559e-01 2.26 6.227496434e-04 6.227496434e-04 2.28 -3.930990122e-01 -3.930990122e-01 2.30 -7.531386066e-01 -7.531386066e-01 2.32 -1.081850241e+00 -1.081850241e+00 2.34 -1.381407526e+00 -1.381407526e+00 2.36 -1.653814732e+00 -1.653814732e+00 2.38 -1.900922350e+00 -1.900922350e+00 2.40 -2.124446900e+00 -2.124446900e+00 2.42 -2.325992756e+00 -2.325992756e+00 2.44 -2.507072589e+00 -2.507072589e+00 2.46 -2.669124060e+00 -2.669124060e+00 2.48 -2.813532667e+00 -2.813532667e+00 2.50 -2.941668780e+00 -2.941668780e+00 2.52 -3.054746914e+00 -3.054746914e+00 2.54 -3.153959410e+00 -3.153959410e+00 2.56 -3.240383637e+00 -3.240383637e+00 2.58 -3.315054924e+00 -3.315054924e+00 2.60 -3.378976104e+00 -3.378976104e+00 2.62 -3.433104057e+00 -3.433104057e+00 2.64 -3.478288439e+00 -3.478288439e+00 2.66 -3.515199954e+00 -3.515199954e+00 2.68 -3.544434261e+00 -3.544434261e+00 2.70 -3.566480648e+00 -3.566480648e+00 2.72 -3.581750262e+00 -3.581750262e+00 2.74 -3.590622874e+00 -3.590622874e+00 2.76 -3.593454569e+00 -3.593454569e+00 2.78 -3.590584805e+00 -3.590584805e+00 2.80 -3.582342161e+00 -3.582342161e+00 2.82 -3.569047933e+00 -3.569047933e+00 2.84 -3.551018563e+00 -3.551018563e+00 2.86 -3.528566963e+00 -3.528566963e+00 2.88 -3.502144618e+00 -3.502144618e+00 2.90 -3.472077784e+00 -3.472077784e+00 2.92 -3.438480720e+00 -3.438480720e+00 2.94 -3.401506312e+00 -3.401506312e+00 2.96 -3.361343375e+00 -3.361343375e+00 2.98 -3.318215587e+00 -3.318215587e+00 3.00 -3.272381110e+00 -3.272381110e+00 3.02 -3.224130560e+00 -3.224130560e+00 3.04 -3.173783918e+00 -3.173783918e+00 3.06 -3.121689792e+00 -3.121689792e+00 3.08 -3.068195764e+00 -3.068195764e+00 3.10 -3.013626093e+00 -3.013626093e+00 3.12 -2.958267209e+00 -2.958267209e+00 3.14 -2.902359092e+00 -2.902359092e+00 3.16 -2.846093062e+00 -2.846093062e+00 3.18 -2.789615878e+00 -2.789615878e+00 3.20 -2.733037426e+00 -2.733037426e+00 3.22 -2.676439949e+00 -2.676439949e+00 3.24 -2.619886953e+00 -2.619886953e+00 3.26 -2.563430670e+00 -2.563430670e+00 3.28 -2.507117655e+00 -2.507117655e+00 3.30 -2.450992535e+00 -2.450992535e+00 3.32 -2.395100230e+00 -2.395100230e+00 3.34 -2.339487011e+00 -2.339487011e+00 3.36 -2.284200839e+00 -2.284200839e+00 3.38 -2.229291299e+00 -2.229291299e+00 3.40 -2.174809431e+00 -2.174809431e+00 3.42 -2.120807710e+00 -2.120807710e+00 3.44 -2.067340055e+00 -2.067340055e+00 3.46 -2.014462159e+00 -2.014462159e+00 3.48 -1.962231743e+00 -1.962231743e+00 3.50 -1.910708588e+00 -1.910708588e+00 3.52 -1.859954002e+00 -1.859954002e+00 3.54 -1.810029475e+00 -1.810029475e+00 3.56 -1.760994411e+00 -1.760994411e+00 3.58 -1.712903128e+00 -1.712903128e+00 3.60 -1.665801604e+00 -1.665801604e+00 3.62 -1.619724597e+00 -1.619724597e+00 3.64 -1.574693767e+00 -1.574693767e+00 3.66 -1.530717141e+00 -1.530717141e+00 3.68 -1.487789960e+00 -1.487789960e+00 3.70 -1.445896598e+00 -1.445896598e+00 3.72 -1.405013119e+00 -1.405013119e+00 3.74 -1.365109991e+00 -1.365109991e+00 3.76 -1.326154607e+00 -1.326154607e+00 3.78 -1.288113391e+00 -1.288113391e+00 3.80 -1.250953405e+00 -1.250953405e+00 3.82 -1.214643472e+00 -1.214643472e+00 3.84 -1.179154852e+00 -1.179154852e+00 3.86 -1.144461570e+00 -1.144461570e+00 3.88 -1.110540443e+00 -1.110540443e+00 3.90 -1.077370908e+00 -1.077370908e+00 3.92 -1.044934666e+00 -1.044934666e+00 3.94 -1.013215334e+00 -1.013215334e+00 3.96 -9.821978409e-01 -9.821978409e-01 3.98 -9.518680495e-01 -9.518680495e-01 4.00 -9.222123103e-01 -9.222123103e-01 4.02 -8.932171284e-01 -8.932171284e-01 4.04 -8.648689524e-01 -8.648689524e-01 4.06 -8.371541100e-01 -8.371541100e-01 4.08 -8.100589091e-01 -8.100589091e-01 4.10 -7.835698466e-01 -7.835698466e-01 4.12 -7.576743156e-01 -7.576743156e-01 4.14 -7.323607646e-01 -7.323607646e-01 4.16 -7.076196806e-01 -7.076196806e-01 4.18 -6.834442343e-01 -6.834442343e-01 4.20 -6.598309533e-01 -6.598309533e-01 4.22 -6.367802404e-01 -6.367802404e-01 4.24 -6.142966191e-01 -6.142966191e-01 4.26 -5.923886039e-01 -5.923886039e-01 4.28 -5.710681244e-01 -5.710681244e-01 4.30 -5.503494941e-01 -5.503494941e-01 4.32 -5.302479876e-01 -5.302479876e-01 4.34 -5.107781642e-01 -5.107781642e-01 4.36 -4.919521307e-01 -4.919521307e-01 4.38 -4.737779538e-01 -4.737779538e-01 4.40 -4.562584081e-01 -4.562584081e-01 4.42 -4.393901875e-01 -4.393901875e-01 4.44 -4.231636289e-01 -4.231636289e-01 4.46 -4.075629197e-01 -4.075629197e-01 4.48 -3.925667015e-01 -3.925667015e-01 4.50 -3.781489470e-01 -3.781489470e-01 4.52 -3.642799811e-01 -3.642799811e-01 4.54 -3.509275309e-01 -3.509275309e-01 4.56 -3.380577159e-01 -3.380577159e-01 4.58 -3.256359233e-01 -3.256359233e-01 4.60 -3.136275410e-01 -3.136275410e-01 4.62 -3.019985500e-01 -3.019985500e-01 4.64 -2.907159911e-01 -2.907159911e-01 4.66 -2.797483367e-01 -2.797483367e-01 4.68 -2.690657979e-01 -2.690657979e-01 4.70 -2.586406029e-01 -2.586406029e-01 4.72 -2.484472744e-01 -2.484472744e-01 4.74 -2.384629287e-01 -2.384629287e-01 4.76 -2.286676122e-01 -2.286676122e-01 4.78 -2.190446766e-01 -2.190446766e-01 4.80 -2.095811432e-01 -2.095811432e-01 4.82 -2.002682935e-01 -2.002682935e-01 4.84 -1.911017776e-01 -1.911017776e-01 4.86 -1.820821140e-01 -1.820821140e-01 4.88 -1.732148097e-01 -1.732148097e-01 4.90 -1.645103337e-01 -1.645103337e-01 4.92 -1.559838416e-01 -1.559838416e-01 4.94 -1.476546138e-01 -1.476546138e-01 4.96 -1.395451995e-01 -1.395451995e-01 4.98 -1.316802928e-01 -1.316802928e-01 5.00 -1.240854045e-01 -1.240854045e-01 5.02 -1.167854242e-01 -1.167854242e-01 5.04 -1.098031910e-01 -1.098031910e-01 5.06 -1.031581934e-01 -1.031581934e-01 5.08 -9.686550673e-02 -9.686550673e-02 5.10 -9.093505134e-02 -9.093505134e-02 5.12 -8.537121040e-02 -8.537121040e-02 5.14 -8.017281308e-02 -8.017281308e-02 5.16 -7.533344352e-02 -7.533344352e-02 5.18 -7.084201074e-02 -7.084201074e-02 5.20 -6.668341308e-02 -6.668341308e-02 5.22 -6.283942523e-02 -6.283942523e-02 5.24 -5.928990320e-02 -5.928990320e-02 5.26 -5.601318065e-02 -5.601318065e-02 5.28 -5.298694986e-02 -5.298694986e-02 5.30 -5.018903065e-02 -5.018903065e-02 5.32 -4.759765760e-02 -4.759765760e-02 5.34 -4.519188563e-02 -4.519188563e-02 5.36 -4.295187599e-02 -4.295187599e-02 5.38 -4.085907837e-02 -4.085907837e-02 5.40 -3.889632926e-02 -3.889632926e-02 5.42 -3.704788683e-02 -3.704788683e-02 5.44 -3.529942076e-02 -3.529942076e-02 5.46 -3.363797299e-02 -3.363797299e-02 5.48 -3.205190281e-02 -3.205190281e-02 5.50 -3.053082662e-02 -3.053082662e-02 5.52 -2.906556054e-02 -2.906556054e-02 5.54 -2.764807122e-02 -2.764807122e-02 5.56 -2.627143751e-02 -2.627143751e-02 5.58 -2.492982484e-02 -2.492982484e-02 5.60 -2.361847102e-02 -2.361847102e-02 5.62 -2.233368025e-02 -2.233368025e-02 5.64 -2.107282045e-02 -2.107282045e-02 5.66 -1.983431750e-02 -1.983431750e-02 5.68 -1.861763863e-02 -1.861763863e-02 5.70 -1.742325693e-02 -1.742325693e-02 5.72 -1.625258906e-02 -1.625258906e-02 5.74 -1.510790017e-02 -1.510790017e-02 5.76 -1.399217035e-02 -1.399217035e-02 5.78 -1.290876300e-02 -1.290876300e-02 5.80 -1.186152131e-02 -1.186152131e-02 5.82 -1.085454650e-02 -1.085454650e-02 5.84 -9.891834506e-03 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