# 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 = MgMoNi2 # 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 2.283342739e+02 2.283342739e+02 1.30 2.104973386e+02 2.104973386e+02 1.32 1.940598240e+02 1.940598240e+02 1.34 1.789003913e+02 1.789003913e+02 1.36 1.649079319e+02 1.649079319e+02 1.38 1.519825306e+02 1.519825306e+02 1.40 1.400350588e+02 1.400350588e+02 1.42 1.289861714e+02 1.289861714e+02 1.44 1.187650677e+02 1.187650677e+02 1.46 1.093080255e+02 1.093080255e+02 1.48 1.005569586e+02 1.005569586e+02 1.50 9.245840930e+01 9.245840930e+01 1.52 8.496319535e+01 8.496319535e+01 1.54 7.802644068e+01 7.802644068e+01 1.56 7.160741277e+01 7.160741277e+01 1.58 6.566893914e+01 6.566893914e+01 1.60 6.017673976e+01 6.017673976e+01 1.62 5.509903641e+01 5.509903641e+01 1.64 5.040719428e+01 5.040719428e+01 1.66 4.607597834e+01 4.607597834e+01 1.68 4.207959251e+01 4.207959251e+01 1.70 3.839326124e+01 3.839326124e+01 1.72 3.499338999e+01 3.499338999e+01 1.74 3.185726134e+01 3.185726134e+01 1.76 2.896311101e+01 2.896311101e+01 1.78 2.629043990e+01 2.629043990e+01 1.80 2.382039532e+01 2.382039532e+01 1.82 2.153607535e+01 2.153607535e+01 1.84 1.942264210e+01 1.942264210e+01 1.86 1.746721468e+01 1.746721468e+01 1.88 1.565857749e+01 1.565857749e+01 1.90 1.398680626e+01 1.398680626e+01 1.92 1.244290912e+01 1.244290912e+01 1.94 1.101854926e+01 1.101854926e+01 1.96 9.705869908e+00 9.705869908e+00 1.98 8.497409903e+00 8.497409903e+00 2.00 7.386068878e+00 7.386068878e+00 2.02 6.365081944e+00 6.365081944e+00 2.04 5.427988370e+00 5.427988370e+00 2.06 4.568601042e+00 4.568601042e+00 2.08 3.780992242e+00 3.780992242e+00 2.10 3.059507303e+00 3.059507303e+00 2.12 2.398804680e+00 2.398804680e+00 2.14 1.793909070e+00 1.793909070e+00 2.16 1.240258062e+00 1.240258062e+00 2.18 7.337218221e-01 7.337218221e-01 2.20 2.705887586e-01 2.705887586e-01 2.22 -1.524801414e-01 -1.524801414e-01 2.24 -5.385122330e-01 -5.385122330e-01 2.26 -8.902860101e-01 -8.902860101e-01 2.28 -1.210389171e+00 -1.210389171e+00 2.30 -1.501241412e+00 -1.501241412e+00 2.32 -1.765019775e+00 -1.765019775e+00 2.34 -2.004142285e+00 -2.004142285e+00 2.36 -2.220933145e+00 -2.220933145e+00 2.38 -2.417501066e+00 -2.417501066e+00 2.40 -2.595701404e+00 -2.595701404e+00 2.42 -2.757119600e+00 -2.757119600e+00 2.44 -2.903079137e+00 -2.903079137e+00 2.46 -3.034530843e+00 -3.034530843e+00 2.48 -3.152181209e+00 -3.152181209e+00 2.50 -3.256708180e+00 -3.256708180e+00 2.52 -3.348774494e+00 -3.348774494e+00 2.54 -3.429030897e+00 -3.429030897e+00 2.56 -3.498118180e+00 -3.498118180e+00 2.58 -3.556663954e+00 -3.556663954e+00 2.60 -3.605280988e+00 -3.605280988e+00 2.62 -3.644568081e+00 -3.644568081e+00 2.64 -3.675114266e+00 -3.675114266e+00 2.66 -3.697482411e+00 -3.697482411e+00 2.68 -3.712043404e+00 -3.712043404e+00 2.70 -3.719108763e+00 -3.719108763e+00 2.72 -3.719052155e+00 -3.719052155e+00 2.74 -3.712300139e+00 -3.712300139e+00 2.76 -3.699316104e+00 -3.699316104e+00 2.78 -3.680579647e+00 -3.680579647e+00 2.80 -3.656565388e+00 -3.656565388e+00 2.82 -3.627723757e+00 -3.627723757e+00 2.84 -3.594470000e+00 -3.594470000e+00 2.86 -3.557180495e+00 -3.557180495e+00 2.88 -3.516195897e+00 -3.516195897e+00 2.90 -3.471828016e+00 -3.471828016e+00 2.92 -3.424367381e+00 -3.424367381e+00 2.94 -3.374089219e+00 -3.374089219e+00 2.96 -3.321256774e+00 -3.321256774e+00 2.98 -3.266121869e+00 -3.266121869e+00 3.00 -3.208923299e+00 -3.208923299e+00 3.02 -3.149883991e+00 -3.149883991e+00 3.04 -3.089207650e+00 -3.089207650e+00 3.06 -3.027100004e+00 -3.027100004e+00 3.08 -2.963718242e+00 -2.963718242e+00 3.10 -2.899137119e+00 -2.899137119e+00 3.12 -2.833435364e+00 -2.833435364e+00 3.14 -2.766693971e+00 -2.766693971e+00 3.16 -2.698987519e+00 -2.698987519e+00 3.18 -2.630329061e+00 -2.630329061e+00 3.20 -2.560716064e+00 -2.560716064e+00 3.22 -2.490183473e+00 -2.490183473e+00 3.24 -2.418795857e+00 -2.418795857e+00 3.26 -2.346642490e+00 -2.346642490e+00 3.28 -2.273835754e+00 -2.273835754e+00 3.30 -2.200511609e+00 -2.200511609e+00 3.32 -2.126830921e+00 -2.126830921e+00 3.34 -2.052980588e+00 -2.052980588e+00 3.36 -1.979173622e+00 -1.979173622e+00 3.38 -1.905647589e+00 -1.905647589e+00 3.40 -1.832660975e+00 -1.832660975e+00 3.42 -1.760487594e+00 -1.760487594e+00 3.44 -1.689408397e+00 -1.689408397e+00 3.46 -1.619702142e+00 -1.619702142e+00 3.48 -1.551634836e+00 -1.551634836e+00 3.50 -1.485449227e+00 -1.485449227e+00 3.52 -1.421355327e+00 -1.421355327e+00 3.54 -1.359522876e+00 -1.359522876e+00 3.56 -1.300076407e+00 -1.300076407e+00 3.58 -1.243093238e+00 -1.243093238e+00 3.60 -1.188604334e+00 -1.188604334e+00 3.62 -1.136597711e+00 -1.136597711e+00 3.64 -1.087023838e+00 -1.087023838e+00 3.66 -1.039802427e+00 -1.039802427e+00 3.68 -9.948299749e-01 -9.948299749e-01 3.70 -9.519875432e-01 -9.519875432e-01 3.72 -9.111483135e-01 -9.111483135e-01 3.74 -8.721845802e-01 -8.721845802e-01 3.76 -8.349738897e-01 -8.349738897e-01 3.78 -7.994040798e-01 -7.994040798e-01 3.80 -7.653769800e-01 -7.653769800e-01 3.82 -7.328105562e-01 -7.328105562e-01 3.84 -7.016393412e-01 -7.016393412e-01 3.86 -6.718131135e-01 -6.718131135e-01 3.88 -6.432939780e-01 -6.432939780e-01 3.90 -6.160522328e-01 -6.160522328e-01 3.92 -5.900614826e-01 -5.900614826e-01 3.94 -5.652945009e-01 -5.652945009e-01 3.96 -5.417184471e-01 -5.417184471e-01 3.98 -5.192927931e-01 -5.192927931e-01 4.00 -4.979679461e-01 -4.979679461e-01 4.02 -4.776854279e-01 -4.776854279e-01 4.04 -4.583791537e-01 -4.583791537e-01 4.06 -4.399773987e-01 -4.399773987e-01 4.08 -4.224050365e-01 -4.224050365e-01 4.10 -4.055854159e-01 -4.055854159e-01 4.12 -3.894435012e-01 -3.894435012e-01 4.14 -3.739054057e-01 -3.739054057e-01 4.16 -3.589009179e-01 -3.589009179e-01 4.18 -3.443639400e-01 -3.443639400e-01 4.20 -3.302330836e-01 -3.302330836e-01 4.22 -3.164521553e-01 -3.164521553e-01 4.24 -3.029706336e-01 -3.029706336e-01 4.26 -2.897442154e-01 -2.897442154e-01 4.28 -2.767354780e-01 -2.767354780e-01 4.30 -2.639146710e-01 -2.639146710e-01 4.32 -2.512606072e-01 -2.512606072e-01 4.34 -2.387615761e-01 -2.387615761e-01 4.36 -2.264161622e-01 -2.264161622e-01 4.38 -2.142338097e-01 -2.142338097e-01 4.40 -2.022349551e-01 -2.022349551e-01 4.42 -1.904505569e-01 -1.904505569e-01 4.44 -1.789208893e-01 -1.789208893e-01 4.46 -1.676935504e-01 -1.676935504e-01 4.48 -1.568207436e-01 -1.568207436e-01 4.50 -1.463560148e-01 -1.463560148e-01 4.52 -1.363507392e-01 -1.363507392e-01 4.54 -1.268507167e-01 -1.268507167e-01 4.56 -1.178932419e-01 -1.178932419e-01 4.58 -1.095049477e-01 -1.095049477e-01 4.60 -1.017006098e-01 -1.017006098e-01 4.62 -9.448294993e-02 -9.448294993e-02 4.64 -8.784335056e-02 -8.784335056e-02 4.66 -8.176326247e-02 -8.176326247e-02 4.68 -7.621607278e-02 -7.621607278e-02 4.70 -7.116920710e-02 -7.116920710e-02 4.72 -6.658615334e-02 -6.658615334e-02 4.74 -6.242737566e-02 -6.242737566e-02 4.76 -5.865436458e-02 -5.865436458e-02 4.78 -5.522974071e-02 -5.522974071e-02 4.80 -5.211725564e-02 -5.211725564e-02 4.82 -4.928347296e-02 -4.928347296e-02 4.84 -4.669690207e-02 -4.669690207e-02 4.86 -4.432917750e-02 -4.432917750e-02 4.88 -4.215485286e-02 -4.215485286e-02 4.90 -4.015131653e-02 -4.015131653e-02 4.92 -3.829862453e-02 -3.829862453e-02 4.94 -3.657926091e-02 -3.657926091e-02 4.96 -3.497790789e-02 -3.497790789e-02 4.98 -3.348129037e-02 -3.348129037e-02 5.00 -3.207786636e-02 -3.207786636e-02 5.02 -3.075760780e-02 -3.075760780e-02 5.04 -2.951180249e-02 -2.951180249e-02 5.06 -2.833287596e-02 -2.833287596e-02 5.08 -2.721423395e-02 -2.721423395e-02 5.10 -2.615012474e-02 -2.615012474e-02 5.12 -2.513552050e-02 -2.513552050e-02 5.14 -2.416601596e-02 -2.416601596e-02 5.16 -2.323774308e-02 -2.323774308e-02 5.18 -2.234729999e-02 -2.234729999e-02 5.20 -2.149169263e-02 -2.149169263e-02 5.22 -2.066828770e-02 -2.066828770e-02 5.24 -1.987477532e-02 -1.987477532e-02 5.26 -1.910914001e-02 -1.910914001e-02 5.28 -1.836963840e-02 -1.836963840e-02 5.30 -1.765478201e-02 -1.765478201e-02 5.32 -1.696332342e-02 -1.696332342e-02 5.34 -1.629424334e-02 -1.629424334e-02 5.36 -1.564671027e-02 -1.564671027e-02 5.38 -1.502011165e-02 -1.502011165e-02 5.40 -1.441403436e-02 -1.441403436e-02 5.42 -1.382822110e-02 -1.382822110e-02 5.44 -1.326254052e-02 -1.326254052e-02 5.46 -1.271695213e-02 -1.271695213e-02 5.48 -1.219146718e-02 -1.219146718e-02 5.50 -1.168610791e-02 -1.168610791e-02 5.52 -1.120086773e-02 -1.120086773e-02 5.54 -1.073567545e-02 -1.073567545e-02 5.56 -1.029036626e-02 -1.029036626e-02 5.58 -9.864661465e-03 -9.864661465e-03 5.60 -9.458157969e-03 -9.458157969e-03 5.62 -9.070327631e-03 -9.070327631e-03 5.64 -8.700525226e-03 -8.700525226e-03 5.66 -8.348003300e-03 -8.348003300e-03 5.68 -8.011931651e-03 -8.011931651e-03 5.70 -7.691419150e-03 -7.691419150e-03 5.72 -7.385535829e-03 -7.385535829e-03 5.74 -7.093333603e-03 -7.093333603e-03 5.76 -6.813864494e-03 -6.813864494e-03 5.78 -6.546195742e-03 -6.546195742e-03 5.80 -6.289421594e-03 -6.289421594e-03 5.82 -6.042671940e-03 -6.042671940e-03 5.84 -5.805118160e-03 -5.805118160e-03 5.86 -5.575976673e-03 -5.575976673e-03 5.88 -5.354510757e-03 -5.354510757e-03 5.90 -5.140031167e-03 -5.140031167e-03 5.92 -4.931896062e-03 -4.931896062e-03 5.94 -4.729510669e-03 -4.729510669e-03 5.96 -4.532327036e-03 -4.532327036e-03 5.98 -4.339844176e-03 -4.339844176e-03 6.00 -4.151608784e-03 -4.151608784e-03