# 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 = Fe2MoNi # 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 1.904024271e+02 1.904024271e+02 1.30 1.740557107e+02 1.740557107e+02 1.32 1.590706490e+02 1.590706490e+02 1.34 1.453192006e+02 1.453192006e+02 1.36 1.326867340e+02 1.326867340e+02 1.38 1.210722219e+02 1.210722219e+02 1.40 1.103873791e+02 1.103873791e+02 1.42 1.005553694e+02 1.005553694e+02 1.44 9.150924271e+01 9.150924271e+01 1.46 8.319003978e+01 8.319003978e+01 1.48 7.554479148e+01 7.554479148e+01 1.50 6.852482469e+01 6.852482469e+01 1.52 6.208466569e+01 6.208466569e+01 1.54 5.618149833e+01 5.618149833e+01 1.56 5.077487930e+01 5.077487930e+01 1.58 4.582651259e+01 4.582651259e+01 1.60 4.130012995e+01 4.130012995e+01 1.62 3.716153207e+01 3.716153207e+01 1.64 3.337867850e+01 3.337867850e+01 1.66 2.992185822e+01 2.992185822e+01 1.68 2.676586182e+01 2.676586182e+01 1.70 2.388505223e+01 2.388505223e+01 1.72 2.125466298e+01 2.125466298e+01 1.74 1.885152519e+01 1.885152519e+01 1.76 1.665410987e+01 1.665410987e+01 1.78 1.464273202e+01 1.464273202e+01 1.80 1.279978099e+01 1.279978099e+01 1.82 1.110988074e+01 1.110988074e+01 1.84 9.559896880e+00 9.559896880e+00 1.86 8.138747811e+00 8.138747811e+00 1.88 6.837042581e+00 6.837042581e+00 1.90 5.646627410e+00 5.646627410e+00 1.92 4.560140304e+00 4.560140304e+00 1.94 3.570651949e+00 3.570651949e+00 1.96 2.671432502e+00 2.671432502e+00 1.98 1.855845641e+00 1.855845641e+00 2.00 1.117343838e+00 1.117343838e+00 2.02 4.495273836e-01 4.495273836e-01 2.04 -1.537684490e-01 -1.537684490e-01 2.06 -6.983858614e-01 -6.983858614e-01 2.08 -1.189774783e+00 -1.189774783e+00 2.10 -1.632948311e+00 -1.632948311e+00 2.12 -2.032461404e+00 -2.032461404e+00 2.14 -2.392407127e+00 -2.392407127e+00 2.16 -2.716427125e+00 -2.716427125e+00 2.18 -3.007736970e+00 -3.007736970e+00 2.20 -3.269167421e+00 -3.269167421e+00 2.22 -3.503218752e+00 -3.503218752e+00 2.24 -3.712120457e+00 -3.712120457e+00 2.26 -3.897887304e+00 -3.897887304e+00 2.28 -4.062362246e+00 -4.062362246e+00 2.30 -4.207081157e+00 -4.207081157e+00 2.32 -4.333761953e+00 -4.333761953e+00 2.34 -4.444134653e+00 -4.444134653e+00 2.36 -4.539750819e+00 -4.539750819e+00 2.38 -4.621990075e+00 -4.621990075e+00 2.40 -4.692060951e+00 -4.692060951e+00 2.42 -4.750994757e+00 -4.750994757e+00 2.44 -4.799469968e+00 -4.799469968e+00 2.46 -4.837946330e+00 -4.837946330e+00 2.48 -4.866884955e+00 -4.866884955e+00 2.50 -4.886757453e+00 -4.886757453e+00 2.52 -4.898050677e+00 -4.898050677e+00 2.54 -4.901263825e+00 -4.901263825e+00 2.56 -4.896902144e+00 -4.896902144e+00 2.58 -4.885468957e+00 -4.885468957e+00 2.60 -4.867451184e+00 -4.867451184e+00 2.62 -4.843190673e+00 -4.843190673e+00 2.64 -4.812920561e+00 -4.812920561e+00 2.66 -4.776872453e+00 -4.776872453e+00 2.68 -4.735291186e+00 -4.735291186e+00 2.70 -4.688435518e+00 -4.688435518e+00 2.72 -4.636576836e+00 -4.636576836e+00 2.74 -4.579997671e+00 -4.579997671e+00 2.76 -4.518988523e+00 -4.518988523e+00 2.78 -4.453809097e+00 -4.453809097e+00 2.80 -4.384460454e+00 -4.384460454e+00 2.82 -4.310871640e+00 -4.310871640e+00 2.84 -4.233040158e+00 -4.233040158e+00 2.86 -4.151030623e+00 -4.151030623e+00 2.88 -4.064973914e+00 -4.064973914e+00 2.90 -3.975065557e+00 -3.975065557e+00 2.92 -3.881561409e+00 -3.881561409e+00 2.94 -3.784769607e+00 -3.784769607e+00 2.96 -3.685038701e+00 -3.685038701e+00 2.98 -3.582742676e+00 -3.582742676e+00 3.00 -3.478264169e+00 -3.478264169e+00 3.02 -3.371977554e+00 -3.371977554e+00 3.04 -3.264233764e+00 -3.264233764e+00 3.06 -3.155348706e+00 -3.155348706e+00 3.08 -3.045596718e+00 -3.045596718e+00 3.10 -2.935209927e+00 -2.935209927e+00 3.12 -2.824383513e+00 -2.824383513e+00 3.14 -2.713286041e+00 -2.713286041e+00 3.16 -2.602073315e+00 -2.602073315e+00 3.18 -2.490903732e+00 -2.490903732e+00 3.20 -2.379952984e+00 -2.379952984e+00 3.22 -2.269426094e+00 -2.269426094e+00 3.24 -2.159565227e+00 -2.159565227e+00 3.26 -2.050652367e+00 -2.050652367e+00 3.28 -1.943006750e+00 -1.943006750e+00 3.30 -1.836977691e+00 -1.836977691e+00 3.32 -1.732934088e+00 -1.732934088e+00 3.34 -1.631252203e+00 -1.631252203e+00 3.36 -1.532303274e+00 -1.532303274e+00 3.38 -1.436442184e+00 -1.436442184e+00 3.40 -1.343997827e+00 -1.343997827e+00 3.42 -1.255265276e+00 -1.255265276e+00 3.44 -1.170499485e+00 -1.170499485e+00 3.46 -1.089910096e+00 -1.089910096e+00 3.48 -1.013657093e+00 -1.013657093e+00 3.50 -9.418473012e-01 -9.418473012e-01 3.52 -8.745319942e-01 -8.745319942e-01 3.54 -8.117060393e-01 -8.117060393e-01 3.56 -7.533089897e-01 -7.533089897e-01 3.58 -6.992283454e-01 -6.992283454e-01 3.60 -6.493049408e-01 -6.493049408e-01 3.62 -6.033401426e-01 -6.033401426e-01 3.64 -5.611043350e-01 -5.611043350e-01 3.66 -5.223460703e-01 -5.223460703e-01 3.68 -4.868012689e-01 -4.868012689e-01 3.70 -4.542019381e-01 -4.542019381e-01 3.72 -4.242840151e-01 -4.242840151e-01 3.74 -3.967940133e-01 -3.967940133e-01 3.76 -3.714942567e-01 -3.714942567e-01 3.78 -3.481675522e-01 -3.481675522e-01 3.80 -3.266192187e-01 -3.266192187e-01 3.82 -3.066781917e-01 -3.066781917e-01 3.84 -2.881968036e-01 -2.881968036e-01 3.86 -2.710492210e-01 -2.710492210e-01 3.88 -2.551287444e-01 -2.551287444e-01 3.90 -2.403442889e-01 -2.403442889e-01 3.92 -2.266164663e-01 -2.266164663e-01 3.94 -2.138737344e-01 -2.138737344e-01 3.96 -2.020490603e-01 -2.020490603e-01 3.98 -1.910773913e-01 -1.910773913e-01 4.00 -1.808940912e-01 -1.808940912e-01 4.02 -1.714342972e-01 -1.714342972e-01 4.04 -1.626330556e-01 -1.626330556e-01 4.06 -1.544259369e-01 -1.544259369e-01 4.08 -1.467495923e-01 -1.467495923e-01 4.10 -1.395433259e-01 -1.395433259e-01 4.12 -1.327496317e-01 -1.327496317e-01 4.14 -1.263144449e-01 -1.263144449e-01 4.16 -1.201876080e-01 -1.201876080e-01 4.18 -1.143231396e-01 -1.143231396e-01 4.20 -1.086793697e-01 -1.086793697e-01 4.22 -1.032190084e-01 -1.032190084e-01 4.24 -9.790920841e-02 -9.790920841e-02 4.26 -9.272166567e-02 -9.272166567e-02 4.28 -8.763278624e-02 -8.763278624e-02 4.30 -8.262392527e-02 -8.262392527e-02 4.32 -7.768168133e-02 -7.768168133e-02 4.34 -7.279820592e-02 -7.279820592e-02 4.36 -6.797146541e-02 -6.797146541e-02 4.38 -6.320537546e-02 -6.320537546e-02 4.40 -5.850971903e-02 -5.850971903e-02 4.42 -5.389976546e-02 -5.389976546e-02 4.44 -4.939553115e-02 -4.939553115e-02 4.46 -4.502066488e-02 -4.502066488e-02 4.48 -4.080099649e-02 -4.080099649e-02 4.50 -3.676284835e-02 -3.676284835e-02 4.52 -3.293126015e-02 -3.293126015e-02 4.54 -2.932830737e-02 -2.932830737e-02 4.56 -2.597168151e-02 -2.597168151e-02 4.58 -2.287368546e-02 -2.287368546e-02 4.60 -2.004071530e-02 -2.004071530e-02 4.62 -1.747323641e-02 -1.747323641e-02 4.64 -1.516583720e-02 -1.516583720e-02 4.66 -1.310829102e-02 -1.310829102e-02 4.68 -1.128755728e-02 -1.128755728e-02 4.70 -9.687589947e-03 -9.687589947e-03 4.72 -8.290406670e-03 -8.290406670e-03 4.74 -7.077080531e-03 -7.077080531e-03 4.76 -6.028562403e-03 -6.028562403e-03 4.78 -5.126318037e-03 -5.126318037e-03 4.80 -4.352786118e-03 -4.352786118e-03 4.82 -3.691677541e-03 -3.691677541e-03 4.84 -3.128142735e-03 -3.128142735e-03 4.86 -2.648836111e-03 -2.648836111e-03 4.88 -2.241904430e-03 -2.241904430e-03 4.90 -1.896922662e-03 -1.896922662e-03 4.92 -1.604796446e-03 -1.604796446e-03 4.94 -1.357645997e-03 -1.357645997e-03 4.96 -1.148682405e-03 -1.148682405e-03 4.98 -9.720840079e-04 -9.720840079e-04 5.00 -8.228779265e-04 -8.228779265e-04 5.02 -6.968298608e-04 -6.968298608e-04 5.04 -5.903437921e-04 -5.903437921e-04 5.06 -5.003722141e-04 -5.003722141e-04 5.08 -4.243368274e-04 -4.243368274e-04 5.10 -3.600591956e-04 -3.600591956e-04 5.12 -3.057006106e-04 -3.057006106e-04 5.14 -2.597102890e-04 -2.597102890e-04 5.16 -2.207809851e-04 -2.207809851e-04 5.18 -1.878111240e-04 -1.878111240e-04 5.20 -1.598726100e-04 -1.598726100e-04 5.22 -1.361835385e-04 -1.361835385e-04 5.24 -1.160851169e-04 -1.160851169e-04 5.26 -9.902218115e-05 -9.902218115e-05 5.28 -8.452677064e-05 -8.452677064e-05 5.30 -7.220429689e-05 -7.220429689e-05 5.32 -6.172190611e-05 -6.172190611e-05 5.34 -5.279869332e-05 -5.279869332e-05 5.36 -4.519747655e-05 -4.519747655e-05 5.38 -3.871788417e-05 -3.871788417e-05 5.40 -3.319054602e-05 -3.319054602e-05 5.42 -2.847221197e-05 -2.847221197e-05 5.44 -2.444164931e-05 -2.444164931e-05 5.46 -2.099619384e-05 -2.099619384e-05 5.48 -1.804884962e-05 -1.804884962e-05 5.50 -1.552584921e-05 -1.552584921e-05 5.52 -1.336460042e-05 -1.336460042e-05 5.54 -1.151195756e-05 -1.151195756e-05 5.56 -9.922765071e-06 -9.922765071e-06 5.58 -8.558630083e-06 -8.558630083e-06 5.60 -7.386887209e-06 -7.386887209e-06 5.62 -6.379725058e-06 -6.379725058e-06 5.64 -5.513448691e-06 -5.513448691e-06 5.66 -4.767856491e-06 -4.767856491e-06 5.68 -4.125713369e-06 -4.125713369e-06 5.70 -3.572305109e-06 -3.572305109e-06 5.72 -3.095061132e-06 -3.095061132e-06 5.74 -2.683234934e-06 -2.683234934e-06 5.76 -2.327633224e-06 -2.327633224e-06 5.78 -2.020386175e-06 -2.020386175e-06 5.80 -1.754752419e-06 -1.754752419e-06 5.82 -1.524953427e-06 -1.524953427e-06 5.84 -1.326032741e-06 -1.326032741e-06 5.86 -1.153736255e-06 -1.153736255e-06 5.88 -1.004410330e-06 -1.004410330e-06 5.90 -8.749150240e-07 -8.749150240e-07 5.92 -7.625501504e-07 -7.625501504e-07 5.94 -6.649922223e-07 -6.649922223e-07 5.96 -5.802406469e-07 -5.802406469e-07 5.98 -5.065717827e-07 -5.065717827e-07 6.00 -4.424996844e-07 -4.424996844e-07