# 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 = AgCo2Mg # 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 2.316351098e+02 2.316351098e+02 1.30 2.136357654e+02 2.136357654e+02 1.32 1.970397840e+02 1.970397840e+02 1.34 1.817307868e+02 1.817307868e+02 1.36 1.676031266e+02 1.676031266e+02 1.38 1.545612716e+02 1.545612716e+02 1.40 1.425185303e+02 1.425185303e+02 1.42 1.313955513e+02 1.313955513e+02 1.44 1.211189185e+02 1.211189185e+02 1.46 1.116204175e+02 1.116204175e+02 1.48 1.028372691e+02 1.028372691e+02 1.50 9.471264237e+01 9.471264237e+01 1.52 8.719548152e+01 8.719548152e+01 1.54 8.023961664e+01 8.023961664e+01 1.56 7.380283907e+01 7.380283907e+01 1.58 6.784630525e+01 6.784630525e+01 1.60 6.233456113e+01 6.233456113e+01 1.62 5.723667983e+01 5.723667983e+01 1.64 5.252244284e+01 5.252244284e+01 1.66 4.816258828e+01 4.816258828e+01 1.68 4.412991363e+01 4.412991363e+01 1.70 4.039936712e+01 4.039936712e+01 1.72 3.694806914e+01 3.694806914e+01 1.74 3.375512106e+01 3.375512106e+01 1.76 3.080132057e+01 3.080132057e+01 1.78 2.806896805e+01 2.806896805e+01 1.80 2.554179969e+01 2.554179969e+01 1.82 2.320494771e+01 2.320494771e+01 1.84 2.104482780e+01 2.104482780e+01 1.86 1.904895979e+01 1.904895979e+01 1.88 1.720576335e+01 1.720576335e+01 1.90 1.550437252e+01 1.550437252e+01 1.92 1.393449340e+01 1.393449340e+01 1.94 1.248633293e+01 1.248633293e+01 1.96 1.115060975e+01 1.115060975e+01 1.98 9.918628316e+00 9.918628316e+00 2.00 8.782367378e+00 8.782367378e+00 2.02 7.734532181e+00 7.734532181e+00 2.04 6.768540734e+00 6.768540734e+00 2.06 5.878444681e+00 5.878444681e+00 2.08 5.058815906e+00 5.058815906e+00 2.10 4.304638683e+00 4.304638683e+00 2.12 3.611231844e+00 3.611231844e+00 2.14 2.974205317e+00 2.974205317e+00 2.16 2.389445081e+00 2.389445081e+00 2.18 1.853113576e+00 1.853113576e+00 2.20 1.361654726e+00 1.361654726e+00 2.22 9.117913157e-01 9.117913157e-01 2.24 5.005126170e-01 5.005126170e-01 2.26 1.250535851e-01 1.250535851e-01 2.28 -2.171304040e-01 -2.171304040e-01 2.30 -5.283874905e-01 -5.283874905e-01 2.32 -8.108939321e-01 -8.108939321e-01 2.34 -1.066672961e+00 -1.066672961e+00 2.36 -1.297612819e+00 -1.297612819e+00 2.38 -1.505526458e+00 -1.505526458e+00 2.40 -1.692119548e+00 -1.692119548e+00 2.42 -1.858849290e+00 -1.858849290e+00 2.44 -2.007110030e+00 -2.007110030e+00 2.46 -2.138245973e+00 -2.138245973e+00 2.48 -2.253554334e+00 -2.253554334e+00 2.50 -2.354286316e+00 -2.354286316e+00 2.52 -2.441646527e+00 -2.441646527e+00 2.54 -2.516735166e+00 -2.516735166e+00 2.56 -2.580499103e+00 -2.580499103e+00 2.58 -2.633870139e+00 -2.633870139e+00 2.60 -2.677771322e+00 -2.677771322e+00 2.62 -2.713093799e+00 -2.713093799e+00 2.64 -2.740668821e+00 -2.740668821e+00 2.66 -2.761241579e+00 -2.761241579e+00 2.68 -2.775464686e+00 -2.775464686e+00 2.70 -2.783995219e+00 -2.783995219e+00 2.72 -2.787237070e+00 -2.787237070e+00 2.74 -2.785484272e+00 -2.785484272e+00 2.76 -2.779015499e+00 -2.779015499e+00 2.78 -2.768101404e+00 -2.768101404e+00 2.80 -2.753009129e+00 -2.753009129e+00 2.82 -2.734002671e+00 -2.734002671e+00 2.84 -2.711343499e+00 -2.711343499e+00 2.86 -2.685295377e+00 -2.685295377e+00 2.88 -2.656119960e+00 -2.656119960e+00 2.90 -2.624071985e+00 -2.624071985e+00 2.92 -2.589401402e+00 -2.589401402e+00 2.94 -2.552357105e+00 -2.552357105e+00 2.96 -2.513191772e+00 -2.513191772e+00 2.98 -2.472166869e+00 -2.472166869e+00 3.00 -2.429556176e+00 -2.429556176e+00 3.02 -2.385645972e+00 -2.385645972e+00 3.04 -2.340730174e+00 -2.340730174e+00 3.06 -2.295101355e+00 -2.295101355e+00 3.08 -2.249048682e+00 -2.249048682e+00 3.10 -2.202825058e+00 -2.202825058e+00 3.12 -2.156619816e+00 -2.156619816e+00 3.14 -2.110583832e+00 -2.110583832e+00 3.16 -2.064828689e+00 -2.064828689e+00 3.18 -2.019432728e+00 -2.019432728e+00 3.20 -1.974448532e+00 -1.974448532e+00 3.22 -1.929911249e+00 -1.929911249e+00 3.24 -1.885839502e+00 -1.885839502e+00 3.26 -1.842222268e+00 -1.842222268e+00 3.28 -1.799048261e+00 -1.799048261e+00 3.30 -1.756315674e+00 -1.756315674e+00 3.32 -1.714031390e+00 -1.714031390e+00 3.34 -1.672209330e+00 -1.672209330e+00 3.36 -1.630868390e+00 -1.630868390e+00 3.38 -1.590030380e+00 -1.590030380e+00 3.40 -1.549718272e+00 -1.549718272e+00 3.42 -1.509955111e+00 -1.509955111e+00 3.44 -1.470762927e+00 -1.470762927e+00 3.46 -1.432162415e+00 -1.432162415e+00 3.48 -1.394172547e+00 -1.394172547e+00 3.50 -1.356810311e+00 -1.356810311e+00 3.52 -1.320090461e+00 -1.320090461e+00 3.54 -1.284025289e+00 -1.284025289e+00 3.56 -1.248624413e+00 -1.248624413e+00 3.58 -1.213894623e+00 -1.213894623e+00 3.60 -1.179839819e+00 -1.179839819e+00 3.62 -1.146461044e+00 -1.146461044e+00 3.64 -1.113756647e+00 -1.113756647e+00 3.66 -1.081722566e+00 -1.081722566e+00 3.68 -1.050352728e+00 -1.050352728e+00 3.70 -1.019639535e+00 -1.019639535e+00 3.72 -9.895744143e-01 -9.895744143e-01 3.74 -9.601483728e-01 -9.601483728e-01 3.76 -9.313525172e-01 -9.313525172e-01 3.78 -9.031784816e-01 -9.031784816e-01 3.80 -8.756187233e-01 -8.756187233e-01 3.82 -8.486666490e-01 -8.486666490e-01 3.84 -8.223165561e-01 -8.223165561e-01 3.86 -7.965633908e-01 -7.965633908e-01 3.88 -7.714023521e-01 -7.714023521e-01 3.90 -7.468283935e-01 -7.468283935e-01 3.92 -7.228355930e-01 -7.228355930e-01 3.94 -6.994170899e-01 -6.994170899e-01 3.96 -6.765640484e-01 -6.765640484e-01 3.98 -6.542659234e-01 -6.542659234e-01 4.00 -6.325103093e-01 -6.325103093e-01 4.02 -6.112830952e-01 -6.112830952e-01 4.04 -5.905687809e-01 -5.905687809e-01 4.06 -5.703509297e-01 -5.703509297e-01 4.08 -5.506127403e-01 -5.506127403e-01 4.10 -5.313374560e-01 -5.313374560e-01 4.12 -5.125102304e-01 -5.125102304e-01 4.14 -4.941172012e-01 -4.941172012e-01 4.16 -4.761475796e-01 -4.761475796e-01 4.18 -4.585941389e-01 -4.585941389e-01 4.20 -4.414539141e-01 -4.414539141e-01 4.22 -4.247286723e-01 -4.247286723e-01 4.24 -4.084250370e-01 -4.084250370e-01 4.26 -3.925541631e-01 -3.925541631e-01 4.28 -3.771309058e-01 -3.771309058e-01 4.30 -3.621724990e-01 -3.621724990e-01 4.32 -3.476968477e-01 -3.476968477e-01 4.34 -3.337206203e-01 -3.337206203e-01 4.36 -3.202573766e-01 -3.202573766e-01 4.38 -3.073159694e-01 -3.073159694e-01 4.40 -2.948994064e-01 -2.948994064e-01 4.42 -2.830042765e-01 -2.830042765e-01 4.44 -2.716207421e-01 -2.716207421e-01 4.46 -2.607330200e-01 -2.607330200e-01 4.48 -2.503202168e-01 -2.503202168e-01 4.50 -2.403573663e-01 -2.403573663e-01 4.52 -2.308165285e-01 -2.308165285e-01 4.54 -2.216678412e-01 -2.216678412e-01 4.56 -2.128804512e-01 -2.128804512e-01 4.58 -2.044232900e-01 -2.044232900e-01 4.60 -1.962656907e-01 -1.962656907e-01 4.62 -1.883778617e-01 -1.883778617e-01 4.64 -1.807312480e-01 -1.807312480e-01 4.66 -1.732988157e-01 -1.732988157e-01 4.68 -1.660552973e-01 -1.660552973e-01 4.70 -1.589774310e-01 -1.589774310e-01 4.72 -1.520442212e-01 -1.520442212e-01 4.74 -1.452372399e-01 -1.452372399e-01 4.76 -1.385409773e-01 -1.385409773e-01 4.78 -1.319432369e-01 -1.319432369e-01 4.80 -1.254353573e-01 -1.254353573e-01 4.82 -1.190134574e-01 -1.190134574e-01 4.84 -1.126774806e-01 -1.126774806e-01 4.86 -1.064323433e-01 -1.064323433e-01 4.88 -1.002877321e-01 -1.002877321e-01 4.90 -9.425788947e-02 -9.425788947e-02 4.92 -8.836109517e-02 -8.836109517e-02 4.94 -8.261882958e-02 -8.261882958e-02 4.96 -7.705464569e-02 -7.705464569e-02 4.98 -7.169281055e-02 -7.169281055e-02 5.00 -6.655683627e-02 -6.655683627e-02 5.02 -6.166805118e-02 -6.166805118e-02 5.04 -5.704433132e-02 -5.704433132e-02 5.06 -5.269911825e-02 -5.269911825e-02 5.08 -4.864035426e-02 -4.864035426e-02 5.10 -4.487075533e-02 -4.487075533e-02 5.12 -4.138895327e-02 -4.138895327e-02 5.14 -3.818869471e-02 -3.818869471e-02 5.16 -3.525957301e-02 -3.525957301e-02 5.18 -3.258779204e-02 -3.258779204e-02 5.20 -3.015729690e-02 -3.015729690e-02 5.22 -2.795063270e-02 -2.795063270e-02 5.24 -2.594958547e-02 -2.594958547e-02 5.26 -2.413584310e-02 -2.413584310e-02 5.28 -2.249152112e-02 -2.249152112e-02 5.30 -2.099955687e-02 -2.099955687e-02 5.32 -1.964398422e-02 -1.964398422e-02 5.34 -1.841010555e-02 -1.841010555e-02 5.36 -1.728457872e-02 -1.728457872e-02 5.38 -1.625543684e-02 -1.625543684e-02 5.40 -1.531205621e-02 -1.531205621e-02 5.42 -1.444506859e-02 -1.444506859e-02 5.44 -1.364626588e-02 -1.364626588e-02 5.46 -1.290855198e-02 -1.290855198e-02 5.48 -1.222576902e-02 -1.222576902e-02 5.50 -1.159257139e-02 -1.159257139e-02 5.52 -1.100430539e-02 -1.100430539e-02 5.54 -1.045689695e-02 -1.045689695e-02 5.56 -9.946750944e-03 -9.946750944e-03 5.58 -9.470664357e-03 -9.470664357e-03 5.60 -9.025754431e-03 -9.025754431e-03 5.62 -8.609401538e-03 -8.609401538e-03 5.64 -8.219205615e-03 -8.219205615e-03 5.66 -7.852954220e-03 -7.852954220e-03 5.68 -7.508599886e-03 -7.508599886e-03 5.70 -7.184244389e-03 -7.184244389e-03 5.72 -6.878127715e-03 -6.878127715e-03 5.74 -6.588619921e-03 -6.588619921e-03 5.76 -6.314214470e-03 -6.314214470e-03 5.78 -6.053522126e-03 -6.053522126e-03 5.80 -5.805264841e-03 -5.805264841e-03 5.82 -5.568269401e-03 -5.568269401e-03 5.84 -5.341460828e-03 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