# 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 = MgNi2Pb # 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 2.524358638e+02 2.524358638e+02 1.30 2.339668025e+02 2.339668025e+02 1.32 2.168725345e+02 2.168725345e+02 1.34 2.010413529e+02 2.010413529e+02 1.36 1.863726168e+02 1.863726168e+02 1.38 1.727753344e+02 1.727753344e+02 1.40 1.601667759e+02 1.601667759e+02 1.42 1.484715359e+02 1.484715359e+02 1.44 1.376206485e+02 1.376206485e+02 1.46 1.275506044e+02 1.275506044e+02 1.48 1.182026148e+02 1.182026148e+02 1.50 1.095222920e+02 1.095222920e+02 1.52 1.014595209e+02 1.014595209e+02 1.54 9.396818419e+01 9.396818419e+01 1.56 8.700566075e+01 8.700566075e+01 1.58 8.053233773e+01 8.053233773e+01 1.60 7.451139412e+01 7.451139412e+01 1.62 6.890901106e+01 6.890901106e+01 1.64 6.369979703e+01 6.369979703e+01 1.66 5.885845356e+01 5.885845356e+01 1.68 5.435899653e+01 5.435899653e+01 1.70 5.017750467e+01 5.017750467e+01 1.72 4.629154697e+01 4.629154697e+01 1.74 4.267991450e+01 4.267991450e+01 1.76 3.932263417e+01 3.932263417e+01 1.78 3.620115307e+01 3.620115307e+01 1.80 3.329850000e+01 3.329850000e+01 1.82 3.059930749e+01 3.059930749e+01 1.84 2.808965990e+01 2.808965990e+01 1.86 2.575684718e+01 2.575684718e+01 1.88 2.358910239e+01 2.358910239e+01 1.90 2.157537759e+01 2.157537759e+01 1.92 1.970519960e+01 1.970519960e+01 1.94 1.796861896e+01 1.796861896e+01 1.96 1.635621937e+01 1.635621937e+01 1.98 1.485916692e+01 1.485916692e+01 2.00 1.346924935e+01 1.346924935e+01 2.02 1.217888280e+01 1.217888280e+01 2.04 1.098108588e+01 1.098108588e+01 2.06 9.869438967e+00 9.869438967e+00 2.08 8.838041232e+00 8.838041232e+00 2.10 7.881471758e+00 7.881471758e+00 2.12 6.994749790e+00 6.994749790e+00 2.14 6.173287361e+00 6.173287361e+00 2.16 5.412838186e+00 5.412838186e+00 2.18 4.709442464e+00 4.709442464e+00 2.20 4.059373975e+00 4.059373975e+00 2.22 3.459098303e+00 3.459098303e+00 2.24 2.905248499e+00 2.905248499e+00 2.26 2.394618680e+00 2.394618680e+00 2.28 1.924163042e+00 1.924163042e+00 2.30 1.490999785e+00 1.490999785e+00 2.32 1.092394167e+00 1.092394167e+00 2.34 7.257529865e-01 7.257529865e-01 2.36 3.886168287e-01 3.886168287e-01 2.38 7.867492120e-02 7.867492120e-02 2.40 -2.062098210e-01 -2.062098210e-01 2.42 -4.679787805e-01 -4.679787805e-01 2.44 -7.083704548e-01 -7.083704548e-01 2.46 -9.289295462e-01 -9.289295462e-01 2.48 -1.131030032e+00 -1.131030032e+00 2.50 -1.315907682e+00 -1.315907682e+00 2.52 -1.484685262e+00 -1.484685262e+00 2.54 -1.638393031e+00 -1.638393031e+00 2.56 -1.777984547e+00 -1.777984547e+00 2.58 -1.904349210e+00 -1.904349210e+00 2.60 -2.018305206e+00 -2.018305206e+00 2.62 -2.120442649e+00 -2.120442649e+00 2.64 -2.211252164e+00 -2.211252164e+00 2.66 -2.291254757e+00 -2.291254757e+00 2.68 -2.361007752e+00 -2.361007752e+00 2.70 -2.421104567e+00 -2.421104567e+00 2.72 -2.472172584e+00 -2.472172584e+00 2.74 -2.514865648e+00 -2.514865648e+00 2.76 -2.549849806e+00 -2.549849806e+00 2.78 -2.577783046e+00 -2.577783046e+00 2.80 -2.599294959e+00 -2.599294959e+00 2.82 -2.614965663e+00 -2.614965663e+00 2.84 -2.625316088e+00 -2.625316088e+00 2.86 -2.630804827e+00 -2.630804827e+00 2.88 -2.631832800e+00 -2.631832800e+00 2.90 -2.628752276e+00 -2.628752276e+00 2.92 -2.621877139e+00 -2.621877139e+00 2.94 -2.611492188e+00 -2.611492188e+00 2.96 -2.597860479e+00 -2.597860479e+00 2.98 -2.581228591e+00 -2.581228591e+00 3.00 -2.561843745e+00 -2.561843745e+00 3.02 -2.539953444e+00 -2.539953444e+00 3.04 -2.515735386e+00 -2.515735386e+00 3.06 -2.489367165e+00 -2.489367165e+00 3.08 -2.461026771e+00 -2.461026771e+00 3.10 -2.430895365e+00 -2.430895365e+00 3.12 -2.399155501e+00 -2.399155501e+00 3.14 -2.365994451e+00 -2.365994451e+00 3.16 -2.331596244e+00 -2.331596244e+00 3.18 -2.296152378e+00 -2.296152378e+00 3.20 -2.259828411e+00 -2.259828411e+00 3.22 -2.222772746e+00 -2.222772746e+00 3.24 -2.185129799e+00 -2.185129799e+00 3.26 -2.147035919e+00 -2.147035919e+00 3.28 -2.108616287e+00 -2.108616287e+00 3.30 -2.069982944e+00 -2.069982944e+00 3.32 -2.031233861e+00 -2.031233861e+00 3.34 -1.992450254e+00 -1.992450254e+00 3.36 -1.953679253e+00 -1.953679253e+00 3.38 -1.914948977e+00 -1.914948977e+00 3.40 -1.876281931e+00 -1.876281931e+00 3.42 -1.837696318e+00 -1.837696318e+00 3.44 -1.799205111e+00 -1.799205111e+00 3.46 -1.760817822e+00 -1.760817822e+00 3.48 -1.722540994e+00 -1.722540994e+00 3.50 -1.684379025e+00 -1.684379025e+00 3.52 -1.646335017e+00 -1.646335017e+00 3.54 -1.608411678e+00 -1.608411678e+00 3.56 -1.570612241e+00 -1.570612241e+00 3.58 -1.532941401e+00 -1.532941401e+00 3.60 -1.495406210e+00 -1.495406210e+00 3.62 -1.458016896e+00 -1.458016896e+00 3.64 -1.420787584e+00 -1.420787584e+00 3.66 -1.383736884e+00 -1.383736884e+00 3.68 -1.346888361e+00 -1.346888361e+00 3.70 -1.310270878e+00 -1.310270878e+00 3.72 -1.273918848e+00 -1.273918848e+00 3.74 -1.237872382e+00 -1.237872382e+00 3.76 -1.202177341e+00 -1.202177341e+00 3.78 -1.166885241e+00 -1.166885241e+00 3.80 -1.132052917e+00 -1.132052917e+00 3.82 -1.097741807e+00 -1.097741807e+00 3.84 -1.064016687e+00 -1.064016687e+00 3.86 -1.030943723e+00 -1.030943723e+00 3.88 -9.985878129e-01 -9.985878129e-01 3.90 -9.670093701e-01 -9.670093701e-01 3.92 -9.362604211e-01 -9.362604211e-01 3.94 -9.063832596e-01 -9.063832596e-01 3.96 -8.774049896e-01 -8.774049896e-01 3.98 -8.493381742e-01 -8.493381742e-01 4.00 -8.221801061e-01 -8.221801061e-01 4.02 -7.959138008e-01 -7.959138008e-01 4.04 -7.705099009e-01 -7.705099009e-01 4.06 -7.459291270e-01 -7.459291270e-01 4.08 -7.221249080e-01 -7.221249080e-01 4.10 -6.990445427e-01 -6.990445427e-01 4.12 -6.766370327e-01 -6.766370327e-01 4.14 -6.548459872e-01 -6.548459872e-01 4.16 -6.336172639e-01 -6.336172639e-01 4.18 -6.128983693e-01 -6.128983693e-01 4.20 -5.926392803e-01 -5.926392803e-01 4.22 -5.727931376e-01 -5.727931376e-01 4.24 -5.533169094e-01 -5.533169094e-01 4.26 -5.341721070e-01 -5.341721070e-01 4.28 -5.153256062e-01 -5.153256062e-01 4.30 -4.967505917e-01 -4.967505917e-01 4.32 -4.784276012e-01 -4.784276012e-01 4.34 -4.603456037e-01 -4.603456037e-01 4.36 -4.425029955e-01 -4.425029955e-01 4.38 -4.249083631e-01 -4.249083631e-01 4.40 -4.075808337e-01 -4.075808337e-01 4.42 -3.905498354e-01 -3.905498354e-01 4.44 -3.738541259e-01 -3.738541259e-01 4.46 -3.575400205e-01 -3.575400205e-01 4.48 -3.416588613e-01 -3.416588613e-01 4.50 -3.262638896e-01 -3.262638896e-01 4.52 -3.114068007e-01 -3.114068007e-01 4.54 -2.971343341e-01 -2.971343341e-01 4.56 -2.834852680e-01 -2.834852680e-01 4.58 -2.704881312e-01 -2.704881312e-01 4.60 -2.581598384e-01 -2.581598384e-01 4.62 -2.465053114e-01 -2.465053114e-01 4.64 -2.355180140e-01 -2.355180140e-01 4.66 -2.251812208e-01 -2.251812208e-01 4.68 -2.154697794e-01 -2.154697794e-01 4.70 -2.063521110e-01 -2.063521110e-01 4.72 -1.977922364e-01 -1.977922364e-01 4.74 -1.897516510e-01 -1.897516510e-01 4.76 -1.821909369e-01 -1.821909369e-01 4.78 -1.750710623e-01 -1.750710623e-01 4.80 -1.683533695e-01 -1.683533695e-01 4.82 -1.620043636e-01 -1.620043636e-01 4.84 -1.559897041e-01 -1.559897041e-01 4.86 -1.502789101e-01 -1.502789101e-01 4.88 -1.448442392e-01 -1.448442392e-01 4.90 -1.396606350e-01 -1.396606350e-01 4.92 -1.347056000e-01 -1.347056000e-01 4.94 -1.299589563e-01 -1.299589563e-01 4.96 -1.254026752e-01 -1.254026752e-01 4.98 -1.210209226e-01 -1.210209226e-01 5.00 -1.167996638e-01 -1.167996638e-01 5.02 -1.127264928e-01 -1.127264928e-01 5.04 -1.087904874e-01 -1.087904874e-01 5.06 -1.049820840e-01 -1.049820840e-01 5.08 -1.012929682e-01 -1.012929682e-01 5.10 -9.771598025e-02 -9.771598025e-02 5.12 -9.424503723e-02 -9.424503723e-02 5.14 -9.087506124e-02 -9.087506124e-02 5.16 -8.760191028e-02 -8.760191028e-02 5.18 -8.442230703e-02 -8.442230703e-02 5.20 -8.133376084e-02 -8.133376084e-02 5.22 -7.833447928e-02 -7.833447928e-02 5.24 -7.542326734e-02 -7.542326734e-02 5.26 -7.259938317e-02 -7.259938317e-02 5.28 -6.986209566e-02 -6.986209566e-02 5.30 -6.721132866e-02 -6.721132866e-02 5.32 -6.464723782e-02 -6.464723782e-02 5.34 -6.216992241e-02 -6.216992241e-02 5.36 -5.977931438e-02 -5.977931438e-02 5.38 -5.747508686e-02 -5.747508686e-02 5.40 -5.525658547e-02 -5.525658547e-02 5.42 -5.312278353e-02 -5.312278353e-02 5.44 -5.107226007e-02 -5.107226007e-02 5.46 -4.910319793e-02 -4.910319793e-02 5.48 -4.721339814e-02 -4.721339814e-02 5.50 -4.540030681e-02 -4.540030681e-02 5.52 -4.366105091e-02 -4.366105091e-02 5.54 -4.199248036e-02 -4.199248036e-02 5.56 -4.039121424e-02 -4.039121424e-02 5.58 -3.885368982e-02 -3.885368982e-02 5.60 -3.737621305e-02 -3.737621305e-02 5.62 -3.595500967e-02 -3.595500967e-02 5.64 -3.458627570e-02 -3.458627570e-02 5.66 -3.326622618e-02 -3.326622618e-02 5.68 -3.199114115e-02 -3.199114115e-02 5.70 -3.075740794e-02 -3.075740794e-02 5.72 -2.956155926e-02 -2.956155926e-02 5.74 -2.840030686e-02 -2.840030686e-02 5.76 -2.727057082e-02 -2.727057082e-02 5.78 -2.616950502e-02 -2.616950502e-02 5.80 -2.509451882e-02 -2.509451882e-02 5.82 -2.404329631e-02 -2.404329631e-02 5.84 -2.301381297e-02 -2.301381297e-02 5.86 -2.200434999e-02 -2.200434999e-02 5.88 -2.101350643e-02 -2.101350643e-02 5.90 -2.004020856e-02 -2.004020856e-02 5.92 -1.908371586e-02 -1.908371586e-02 5.94 -1.814362268e-02 -1.814362268e-02 5.96 -1.721985451e-02 -1.721985451e-02 5.98 -1.631265757e-02 -1.631265757e-02 6.00 -1.542258104e-02 -1.542258104e-02