# 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 = AlMg2Pt # 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 2.743547772e+02 2.743547772e+02 1.30 2.549173140e+02 2.549173140e+02 1.32 2.368500664e+02 2.368500664e+02 1.34 2.200541999e+02 2.200541999e+02 1.36 2.044402709e+02 2.044402709e+02 1.38 1.899221909e+02 1.899221909e+02 1.40 1.764151786e+02 1.764151786e+02 1.42 1.638377943e+02 1.638377943e+02 1.44 1.521152791e+02 1.521152791e+02 1.46 1.411815555e+02 1.411815555e+02 1.48 1.309789553e+02 1.309789553e+02 1.50 1.214565028e+02 1.214565028e+02 1.52 1.125679680e+02 1.125679680e+02 1.54 1.042701990e+02 1.042701990e+02 1.56 9.652201165e+01 9.652201165e+01 1.58 8.928368192e+01 8.928368192e+01 1.60 8.251685552e+01 8.251685552e+01 1.62 7.618553375e+01 7.618553375e+01 1.64 7.029771748e+01 7.029771748e+01 1.66 6.484017957e+01 6.484017957e+01 1.68 5.977943908e+01 5.977943908e+01 1.70 5.508559722e+01 5.508559722e+01 1.72 5.073295140e+01 5.073295140e+01 1.74 4.669868611e+01 4.669868611e+01 1.76 4.296136863e+01 4.296136863e+01 1.78 3.950009481e+01 3.950009481e+01 1.80 3.629449740e+01 3.629449740e+01 1.82 3.332523132e+01 3.332523132e+01 1.84 3.057443130e+01 3.057443130e+01 1.86 2.802587609e+01 2.802587609e+01 1.88 2.566486042e+01 2.566486042e+01 1.90 2.347790759e+01 2.347790759e+01 1.92 2.145245546e+01 2.145245546e+01 1.94 1.957660310e+01 1.957660310e+01 1.96 1.783899200e+01 1.783899200e+01 1.98 1.622883642e+01 1.622883642e+01 2.00 1.473606835e+01 1.473606835e+01 2.02 1.335150228e+01 1.335150228e+01 2.04 1.206692476e+01 1.206692476e+01 2.06 1.087505942e+01 1.087505942e+01 2.08 9.769424294e+00 9.769424294e+00 2.10 8.744146238e+00 8.744146238e+00 2.12 7.793792269e+00 7.793792269e+00 2.14 6.913260147e+00 6.913260147e+00 2.16 6.097733010e+00 6.097733010e+00 2.18 5.342678848e+00 5.342678848e+00 2.20 4.643871387e+00 4.643871387e+00 2.22 3.997406662e+00 3.997406662e+00 2.24 3.399709751e+00 3.399709751e+00 2.26 2.847529792e+00 2.847529792e+00 2.28 2.337923473e+00 2.337923473e+00 2.30 1.868234241e+00 1.868234241e+00 2.32 1.436057871e+00 1.436057871e+00 2.34 1.039206669e+00 1.039206669e+00 2.36 6.749448926e-01 6.749448926e-01 2.38 3.407306258e-01 3.407306258e-01 2.40 3.512129953e-02 3.512129953e-02 2.42 -2.433303311e-01 -2.433303311e-01 2.44 -4.961055444e-01 -4.961055444e-01 2.46 -7.247439943e-01 -7.247439943e-01 2.48 -9.308610858e-01 -9.308610858e-01 2.50 -1.116154707e+00 -1.116154707e+00 2.52 -1.282394642e+00 -1.282394642e+00 2.54 -1.431389407e+00 -1.431389407e+00 2.56 -1.564931225e+00 -1.564931225e+00 2.58 -1.684728329e+00 -1.684728329e+00 2.60 -1.792339291e+00 -1.792339291e+00 2.62 -1.889122832e+00 -1.889122832e+00 2.64 -1.976212630e+00 -1.976212630e+00 2.66 -2.054514445e+00 -2.054514445e+00 2.68 -2.125177309e+00 -2.125177309e+00 2.70 -2.188912469e+00 -2.188912469e+00 2.72 -2.245868336e+00 -2.245868336e+00 2.74 -2.296144921e+00 -2.296144921e+00 2.76 -2.339821364e+00 -2.339821364e+00 2.78 -2.376976281e+00 -2.376976281e+00 2.80 -2.407702358e+00 -2.407702358e+00 2.82 -2.432113315e+00 -2.432113315e+00 2.84 -2.450351583e+00 -2.450351583e+00 2.86 -2.462601045e+00 -2.462601045e+00 2.88 -2.469094988e+00 -2.469094988e+00 2.90 -2.470114461e+00 -2.470114461e+00 2.92 -2.465995937e+00 -2.465995937e+00 2.94 -2.457136160e+00 -2.457136160e+00 2.96 -2.443990609e+00 -2.443990609e+00 2.98 -2.427063426e+00 -2.427063426e+00 3.00 -2.406888772e+00 -2.406888772e+00 3.02 -2.384006150e+00 -2.384006150e+00 3.04 -2.358933808e+00 -2.358933808e+00 3.06 -2.332146499e+00 -2.332146499e+00 3.08 -2.304056682e+00 -2.304056682e+00 3.10 -2.275006480e+00 -2.275006480e+00 3.12 -2.245264890e+00 -2.245264890e+00 3.14 -2.215033502e+00 -2.215033502e+00 3.16 -2.184461225e+00 -2.184461225e+00 3.18 -2.153698127e+00 -2.153698127e+00 3.20 -2.122858037e+00 -2.122858037e+00 3.22 -2.092011017e+00 -2.092011017e+00 3.24 -2.061198817e+00 -2.061198817e+00 3.26 -2.030446829e+00 -2.030446829e+00 3.28 -1.999772530e+00 -1.999772530e+00 3.30 -1.969190705e+00 -1.969190705e+00 3.32 -1.938716018e+00 -1.938716018e+00 3.34 -1.908363734e+00 -1.908363734e+00 3.36 -1.878149448e+00 -1.878149448e+00 3.38 -1.848089647e+00 -1.848089647e+00 3.40 -1.818222249e+00 -1.818222249e+00 3.42 -1.788556029e+00 -1.788556029e+00 3.44 -1.759089510e+00 -1.759089510e+00 3.46 -1.729825289e+00 -1.729825289e+00 3.48 -1.700769932e+00 -1.700769932e+00 3.50 -1.671933647e+00 -1.671933647e+00 3.52 -1.643329637e+00 -1.643329637e+00 3.54 -1.614973217e+00 -1.614973217e+00 3.56 -1.586880802e+00 -1.586880802e+00 3.58 -1.559068881e+00 -1.559068881e+00 3.60 -1.531552173e+00 -1.531552173e+00 3.62 -1.504328119e+00 -1.504328119e+00 3.64 -1.477378485e+00 -1.477378485e+00 3.66 -1.450686886e+00 -1.450686886e+00 3.68 -1.424238510e+00 -1.424238510e+00 3.70 -1.398019480e+00 -1.398019480e+00 3.72 -1.372016447e+00 -1.372016447e+00 3.74 -1.346216352e+00 -1.346216352e+00 3.76 -1.320606348e+00 -1.320606348e+00 3.78 -1.295173832e+00 -1.295173832e+00 3.80 -1.269906535e+00 -1.269906535e+00 3.82 -1.244792623e+00 -1.244792623e+00 3.84 -1.219820760e+00 -1.219820760e+00 3.86 -1.194980103e+00 -1.194980103e+00 3.88 -1.170260218e+00 -1.170260218e+00 3.90 -1.145650948e+00 -1.145650948e+00 3.92 -1.121142168e+00 -1.121142168e+00 3.94 -1.096724312e+00 -1.096724312e+00 3.96 -1.072387684e+00 -1.072387684e+00 3.98 -1.048123491e+00 -1.048123491e+00 4.00 -1.023924407e+00 -1.023924407e+00 4.02 -9.997855709e-01 -9.997855709e-01 4.04 -9.757058343e-01 -9.757058343e-01 4.06 -9.516891410e-01 -9.516891410e-01 4.08 -9.277459271e-01 -9.277459271e-01 4.10 -9.038939349e-01 -9.038939349e-01 4.12 -8.801609771e-01 -8.801609771e-01 4.14 -8.565824057e-01 -8.565824057e-01 4.16 -8.332028707e-01 -8.332028707e-01 4.18 -8.100746394e-01 -8.100746394e-01 4.20 -7.872556288e-01 -7.872556288e-01 4.22 -7.648066958e-01 -7.648066958e-01 4.24 -7.427884032e-01 -7.427884032e-01 4.26 -7.212575778e-01 -7.212575778e-01 4.28 -7.002640193e-01 -7.002640193e-01 4.30 -6.798476981e-01 -6.798476981e-01 4.32 -6.600367021e-01 -6.600367021e-01 4.34 -6.408460760e-01 -6.408460760e-01 4.36 -6.222775664e-01 -6.222775664e-01 4.38 -6.043201808e-01 -6.043201808e-01 4.40 -5.869513842e-01 -5.869513842e-01 4.42 -5.701387282e-01 -5.701387282e-01 4.44 -5.538416991e-01 -5.538416991e-01 4.46 -5.380136066e-01 -5.380136066e-01 4.48 -5.226033726e-01 -5.226033726e-01 4.50 -5.075571378e-01 -5.075571378e-01 4.52 -4.928196466e-01 -4.928196466e-01 4.54 -4.783354158e-01 -4.783354158e-01 4.56 -4.640497237e-01 -4.640497237e-01 4.58 -4.499094733e-01 -4.499094733e-01 4.60 -4.358639916e-01 -4.358639916e-01 4.62 -4.218658277e-01 -4.218658277e-01 4.64 -4.078715987e-01 -4.078715987e-01 4.66 -3.938429168e-01 -3.938429168e-01 4.68 -3.797474095e-01 -3.797474095e-01 4.70 -3.655598142e-01 -3.655598142e-01 4.72 -3.512631050e-01 -3.512631050e-01 4.74 -3.368495758e-01 -3.368495758e-01 4.76 -3.223217850e-01 -3.223217850e-01 4.78 -3.076932493e-01 -3.076932493e-01 4.80 -2.929884244e-01 -2.929884244e-01 4.82 -2.782440366e-01 -2.782440366e-01 4.84 -2.635061354e-01 -2.635061354e-01 4.86 -2.488304897e-01 -2.488304897e-01 4.88 -2.342804438e-01 -2.342804438e-01 4.90 -2.199247611e-01 -2.199247611e-01 4.92 -2.058351613e-01 -2.058351613e-01 4.94 -1.920837025e-01 -1.920837025e-01 4.96 -1.787401701e-01 -1.787401701e-01 4.98 -1.658696249e-01 -1.658696249e-01 5.00 -1.535302407e-01 -1.535302407e-01 5.02 -1.417715336e-01 -1.417715336e-01 5.04 -1.306330540e-01 -1.306330540e-01 5.06 -1.201435784e-01 -1.201435784e-01 5.08 -1.103208099e-01 -1.103208099e-01 5.10 -1.011715636e-01 -1.011715636e-01 5.12 -9.269238880e-02 -9.269238880e-02 5.14 -8.487055304e-02 -8.487055304e-02 5.16 -7.768529868e-02 -7.768529868e-02 5.18 -7.110927167e-02 -7.110927167e-02 5.20 -6.511002462e-02 -6.511002462e-02 5.22 -5.965150408e-02 -5.965150408e-02 5.24 -5.469544795e-02 -5.469544795e-02 5.26 -5.020264627e-02 -5.020264627e-02 5.28 -4.613399875e-02 -4.613399875e-02 5.30 -4.245138360e-02 -4.245138360e-02 5.32 -3.911836176e-02 -3.911836176e-02 5.34 -3.610066917e-02 -3.610066917e-02 5.36 -3.336653672e-02 -3.336653672e-02 5.38 -3.088568673e-02 -3.088568673e-02 5.40 -2.863177186e-02 -2.863177186e-02 5.42 -2.658204159e-02 -2.658204159e-02 5.44 -2.471591081e-02 -2.471591081e-02 5.46 -2.301493443e-02 -2.301493443e-02 5.48 -2.146269052e-02 -2.146269052e-02 5.50 -2.004460632e-02 -2.004460632e-02 5.52 -1.874775476e-02 -1.874775476e-02 5.54 -1.756064279e-02 -1.756064279e-02 5.56 -1.647300763e-02 -1.647300763e-02 5.58 -1.547563211e-02 -1.547563211e-02 5.60 -1.456018572e-02 -1.456018572e-02 5.62 -1.371909387e-02 -1.371909387e-02 5.64 -1.294543477e-02 -1.294543477e-02 5.66 -1.223286076e-02 -1.223286076e-02 5.68 -1.157553968e-02 -1.157553968e-02 5.70 -1.096811137e-02 -1.096811137e-02 5.72 -1.040565446e-02 -1.040565446e-02 5.74 -9.883660040e-03 -9.883660040e-03 5.76 -9.398039158e-03 -9.398039158e-03 5.78 -8.945050570e-03 -8.945050570e-03 5.80 -8.521275184e-03 -8.521275184e-03 5.82 -8.123616682e-03 -8.123616682e-03 5.84 -7.749278354e-03 -7.749278354e-03 5.86 -7.395739832e-03 -7.395739832e-03 5.88 -7.060734185e-03 -7.060734185e-03 5.90 -6.742225899e-03 -6.742225899e-03 5.92 -6.438390210e-03 -6.438390210e-03 5.94 -6.147594190e-03 -6.147594190e-03 5.96 -5.868379925e-03 -5.868379925e-03 5.98 -5.599449957e-03 -5.599449957e-03 6.00 -5.339655134e-03 -5.339655134e-03