# 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 = Mg2PtTa # 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 4.473535397e+02 4.473535397e+02 1.30 4.161414335e+02 4.161414335e+02 1.32 3.871221148e+02 3.871221148e+02 1.34 3.601226689e+02 3.601226689e+02 1.36 3.349907993e+02 3.349907993e+02 1.38 3.115872958e+02 3.115872958e+02 1.40 2.897812299e+02 2.897812299e+02 1.42 2.694501987e+02 2.694501987e+02 1.44 2.504834673e+02 2.504834673e+02 1.46 2.327847936e+02 2.327847936e+02 1.48 2.162723978e+02 2.162723978e+02 1.50 2.008751170e+02 2.008751170e+02 1.52 1.865263600e+02 1.865263600e+02 1.54 1.731591392e+02 1.731591392e+02 1.56 1.607045207e+02 1.607045207e+02 1.58 1.490930871e+02 1.490930871e+02 1.60 1.382574654e+02 1.382574654e+02 1.62 1.281344099e+02 1.281344099e+02 1.64 1.186661770e+02 1.186661770e+02 1.66 1.098014004e+02 1.098014004e+02 1.68 1.014955089e+02 1.014955089e+02 1.70 9.371046665e+01 9.371046665e+01 1.72 8.641526702e+01 8.641526702e+01 1.74 7.958462778e+01 7.958462778e+01 1.76 7.319333395e+01 7.319333395e+01 1.78 6.726000570e+01 6.726000570e+01 1.80 6.177057961e+01 6.177057961e+01 1.82 5.669171006e+01 5.669171006e+01 1.84 5.199301166e+01 5.199301166e+01 1.86 4.764696981e+01 4.764696981e+01 1.88 4.362853476e+01 4.362853476e+01 1.90 3.991452982e+01 3.991452982e+01 1.92 3.648307795e+01 3.648307795e+01 1.94 3.331322852e+01 3.331322852e+01 1.96 3.038487066e+01 3.038487066e+01 1.98 2.767886140e+01 2.767886140e+01 2.00 2.517724544e+01 2.517724544e+01 2.02 2.286344926e+01 2.286344926e+01 2.04 2.072239594e+01 2.072239594e+01 2.06 1.874052872e+01 1.874052872e+01 2.08 1.690574347e+01 1.690574347e+01 2.10 1.520724429e+01 1.520724429e+01 2.12 1.363534507e+01 1.363534507e+01 2.14 1.218126629e+01 1.218126629e+01 2.16 1.083696498e+01 1.083696498e+01 2.18 9.595014475e+00 9.595014475e+00 2.20 8.448528868e+00 8.448528868e+00 2.22 7.391108093e+00 7.391108093e+00 2.24 6.416791640e+00 6.416791640e+00 2.26 5.520012721e+00 5.520012721e+00 2.28 4.695549946e+00 4.695549946e+00 2.30 3.938484151e+00 3.938484151e+00 2.32 3.244154468e+00 3.244154468e+00 2.34 2.608128281e+00 2.608128281e+00 2.36 2.026181937e+00 2.026181937e+00 2.38 1.494337762e+00 1.494337762e+00 2.40 1.008886332e+00 1.008886332e+00 2.42 5.660518190e-01 5.660518190e-01 2.44 1.622975249e-01 1.622975249e-01 2.46 -2.056461724e-01 -2.056461724e-01 2.48 -5.408003477e-01 -5.408003477e-01 2.50 -8.462065196e-01 -8.462065196e-01 2.52 -1.125494054e+00 -1.125494054e+00 2.54 -1.380581612e+00 -1.380581612e+00 2.56 -1.613133064e+00 -1.613133064e+00 2.58 -1.824745458e+00 -1.824745458e+00 2.60 -2.016888429e+00 -2.016888429e+00 2.62 -2.190870324e+00 -2.190870324e+00 2.64 -2.347836190e+00 -2.347836190e+00 2.66 -2.488785817e+00 -2.488785817e+00 2.68 -2.614606806e+00 -2.614606806e+00 2.70 -2.726105689e+00 -2.726105689e+00 2.72 -2.824032533e+00 -2.824032533e+00 2.74 -2.909096510e+00 -2.909096510e+00 2.76 -2.981973735e+00 -2.981973735e+00 2.78 -3.043310019e+00 -3.043310019e+00 2.80 -3.093723043e+00 -3.093723043e+00 2.82 -3.133802748e+00 -3.133802748e+00 2.84 -3.164116857e+00 -3.164116857e+00 2.86 -3.185218008e+00 -3.185218008e+00 2.88 -3.197653949e+00 -3.197653949e+00 2.90 -3.201979091e+00 -3.201979091e+00 2.92 -3.198765030e+00 -3.198765030e+00 2.94 -3.188606930e+00 -3.188606930e+00 2.96 -3.172122662e+00 -3.172122662e+00 2.98 -3.149942808e+00 -3.149942808e+00 3.00 -3.122692047e+00 -3.122692047e+00 3.02 -3.090965289e+00 -3.090965289e+00 3.04 -3.055303766e+00 -3.055303766e+00 3.06 -3.016178314e+00 -3.016178314e+00 3.08 -2.973979616e+00 -2.973979616e+00 3.10 -2.929022105e+00 -2.929022105e+00 3.12 -2.881554761e+00 -2.881554761e+00 3.14 -2.831780531e+00 -2.831780531e+00 3.16 -2.779872630e+00 -2.779872630e+00 3.18 -2.725996050e+00 -2.725996050e+00 3.20 -2.670323709e+00 -2.670323709e+00 3.22 -2.613094196e+00 -2.613094196e+00 3.24 -2.554767248e+00 -2.554767248e+00 3.26 -2.495848787e+00 -2.495848787e+00 3.28 -2.436823337e+00 -2.436823337e+00 3.30 -2.378145539e+00 -2.378145539e+00 3.32 -2.320227218e+00 -2.320227218e+00 3.34 -2.263423179e+00 -2.263423179e+00 3.36 -2.208018940e+00 -2.208018940e+00 3.38 -2.154222984e+00 -2.154222984e+00 3.40 -2.102164914e+00 -2.102164914e+00 3.42 -2.051899949e+00 -2.051899949e+00 3.44 -2.003417638e+00 -2.003417638e+00 3.46 -1.956654458e+00 -1.956654458e+00 3.48 -1.911507281e+00 -1.911507281e+00 3.50 -1.867846563e+00 -1.867846563e+00 3.52 -1.825528102e+00 -1.825528102e+00 3.54 -1.784424885e+00 -1.784424885e+00 3.56 -1.744402012e+00 -1.744402012e+00 3.58 -1.705284098e+00 -1.705284098e+00 3.60 -1.666911631e+00 -1.666911631e+00 3.62 -1.629143506e+00 -1.629143506e+00 3.64 -1.591858418e+00 -1.591858418e+00 3.66 -1.554955773e+00 -1.554955773e+00 3.68 -1.518355680e+00 -1.518355680e+00 3.70 -1.481956535e+00 -1.481956535e+00 3.72 -1.445602464e+00 -1.445602464e+00 3.74 -1.409164600e+00 -1.409164600e+00 3.76 -1.372551490e+00 -1.372551490e+00 3.78 -1.335710033e+00 -1.335710033e+00 3.80 -1.298625528e+00 -1.298625528e+00 3.82 -1.261320388e+00 -1.261320388e+00 3.84 -1.223851133e+00 -1.223851133e+00 3.86 -1.186303558e+00 -1.186303558e+00 3.88 -1.148786201e+00 -1.148786201e+00 3.90 -1.111422557e+00 -1.111422557e+00 3.92 -1.074342551e+00 -1.074342551e+00 3.94 -1.037674973e+00 -1.037674973e+00 3.96 -1.001539398e+00 -1.001539398e+00 3.98 -9.660413527e-01 -9.660413527e-01 4.00 -9.312687129e-01 -9.312687129e-01 4.02 -8.972904559e-01 -8.972904559e-01 4.04 -8.641574179e-01 -8.641574179e-01 4.06 -8.319046825e-01 -8.319046825e-01 4.08 -8.005550719e-01 -8.005550719e-01 4.10 -7.701226665e-01 -7.701226665e-01 4.12 -7.406187412e-01 -7.406187412e-01 4.14 -7.120518713e-01 -7.120518713e-01 4.16 -6.844324696e-01 -6.844324696e-01 4.18 -6.577731791e-01 -6.577731791e-01 4.20 -6.320885355e-01 -6.320885355e-01 4.22 -6.073934470e-01 -6.073934470e-01 4.24 -5.837008267e-01 -5.837008267e-01 4.26 -5.610188347e-01 -5.610188347e-01 4.28 -5.393482262e-01 -5.393482262e-01 4.30 -5.186802410e-01 -5.186802410e-01 4.32 -4.989953353e-01 -4.989953353e-01 4.34 -4.802628791e-01 -4.802628791e-01 4.36 -4.624417694e-01 -4.624417694e-01 4.38 -4.454817770e-01 -4.454817770e-01 4.40 -4.293253730e-01 -4.293253730e-01 4.42 -4.139097688e-01 -4.139097688e-01 4.44 -3.991689415e-01 -3.991689415e-01 4.46 -3.850354792e-01 -3.850354792e-01 4.48 -3.714421529e-01 -3.714421529e-01 4.50 -3.583231844e-01 -3.583231844e-01 4.52 -3.456152317e-01 -3.456152317e-01 4.54 -3.332581432e-01 -3.332581432e-01 4.56 -3.211955504e-01 -3.211955504e-01 4.58 -3.093753714e-01 -3.093753714e-01 4.60 -2.977502920e-01 -2.977502920e-01 4.62 -2.862782756e-01 -2.862782756e-01 4.64 -2.749231380e-01 -2.749231380e-01 4.66 -2.636551954e-01 -2.636551954e-01 4.68 -2.524519736e-01 -2.524519736e-01 4.70 -2.412989317e-01 -2.412989317e-01 4.72 -2.301901349e-01 -2.301901349e-01 4.74 -2.191287787e-01 -2.191287787e-01 4.76 -2.081274601e-01 -2.081274601e-01 4.78 -1.972080820e-01 -1.972080820e-01 4.80 -1.864009214e-01 -1.864009214e-01 4.82 -1.757451282e-01 -1.757451282e-01 4.84 -1.652846504e-01 -1.652846504e-01 4.86 -1.550678907e-01 -1.550678907e-01 4.88 -1.451448316e-01 -1.451448316e-01 4.90 -1.355644546e-01 -1.355644546e-01 4.92 -1.263722108e-01 -1.263722108e-01 4.94 -1.176077621e-01 -1.176077621e-01 4.96 -1.093031792e-01 -1.093031792e-01 4.98 -1.014817261e-01 -1.014817261e-01 5.00 -9.415728651e-02 -9.415728651e-02 5.02 -8.733441475e-02 -8.733441475e-02 5.04 -8.100892762e-02 -8.100892762e-02 5.06 -7.516891356e-02 -7.516891356e-02 5.08 -6.979601416e-02 -6.979601416e-02 5.10 -6.486683594e-02 -6.486683594e-02 5.12 -6.035437876e-02 -6.035437876e-02 5.14 -5.622934361e-02 -5.622934361e-02 5.16 -5.246131311e-02 -5.246131311e-02 5.18 -4.901975510e-02 -4.901975510e-02 5.20 -4.587481076e-02 -4.587481076e-02 5.22 -4.299789181e-02 -4.299789181e-02 5.24 -4.036176940e-02 -4.036176940e-02 5.26 -3.794060057e-02 -3.794060057e-02 5.28 -3.571225736e-02 -3.571225736e-02 5.30 -3.365664428e-02 -3.365664428e-02 5.32 -3.175562365e-02 -3.175562365e-02 5.34 -2.999303285e-02 -2.999303285e-02 5.36 -2.835463175e-02 -2.835463175e-02 5.38 -2.682800303e-02 -2.682800303e-02 5.40 -2.540241661e-02 -2.540241661e-02 5.42 -2.406866980e-02 -2.406866980e-02 5.44 -2.281891197e-02 -2.281891197e-02 5.46 -2.164646003e-02 -2.164646003e-02 5.48 -2.054561123e-02 -2.054561123e-02 5.50 -1.951146000e-02 -1.951146000e-02 5.52 -1.853972528e-02 -1.853972528e-02 5.54 -1.762659490e-02 -1.762659490e-02 5.56 -1.676859214e-02 -1.676859214e-02 5.58 -1.596246812e-02 -1.596246812e-02 5.60 -1.520512147e-02 -1.520512147e-02 5.62 -1.449354450e-02 -1.449354450e-02 5.64 -1.382479300e-02 -1.382479300e-02 5.66 -1.319597545e-02 -1.319597545e-02 5.68 -1.260425652e-02 -1.260425652e-02 5.70 -1.204686973e-02 -1.204686973e-02 5.72 -1.152113479e-02 -1.152113479e-02 5.74 -1.102447608e-02 -1.102447608e-02 5.76 -1.055447266e-02 -1.055447266e-02 5.78 -1.010881582e-02 -1.010881582e-02 5.80 -9.685315503e-03 -9.685315503e-03 5.82 -9.281929135e-03 -9.281929135e-03 5.84 -8.896761963e-03 -8.896761963e-03 5.86 -8.528064342e-03 -8.528064342e-03 5.88 -8.174226780e-03 -8.174226780e-03 5.90 -7.833773611e-03 -7.833773611e-03 5.92 -7.505356073e-03 -7.505356073e-03 5.94 -7.187745495e-03 -7.187745495e-03 5.96 -6.879827143e-03 -6.879827143e-03 5.98 -6.580595147e-03 -6.580595147e-03 6.00 -6.289148823e-03 -6.289148823e-03