# 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 = CoTi2W # 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 2.750527683e+02 2.750527683e+02 1.30 2.538192072e+02 2.538192072e+02 1.32 2.342325584e+02 2.342325584e+02 1.34 2.161549390e+02 2.161549390e+02 1.36 1.994591662e+02 1.994591662e+02 1.38 1.840289700e+02 1.840289700e+02 1.40 1.697586465e+02 1.697586465e+02 1.42 1.565524576e+02 1.565524576e+02 1.44 1.443241754e+02 1.443241754e+02 1.46 1.329966374e+02 1.329966374e+02 1.48 1.225008695e+02 1.225008695e+02 1.50 1.127747637e+02 1.127747637e+02 1.52 1.037617399e+02 1.037617399e+02 1.54 9.540984812e+01 9.540984812e+01 1.56 8.767143232e+01 8.767143232e+01 1.58 8.050297199e+01 8.050297199e+01 1.60 7.386466955e+01 7.386466955e+01 1.62 6.771977973e+01 6.771977973e+01 1.64 6.203391187e+01 6.203391187e+01 1.66 5.677444367e+01 5.677444367e+01 1.68 5.191014326e+01 5.191014326e+01 1.70 4.741111084e+01 4.741111084e+01 1.72 4.324901870e+01 4.324901870e+01 1.74 3.939744338e+01 3.939744338e+01 1.76 3.583204661e+01 3.583204661e+01 1.78 3.253054119e+01 3.253054119e+01 1.80 2.947256549e+01 2.947256549e+01 1.82 2.663963380e+01 2.663963380e+01 1.84 2.401550559e+01 2.401550559e+01 1.86 2.158529083e+01 2.158529083e+01 1.88 1.933593005e+01 1.933593005e+01 1.90 1.725566879e+01 1.725566879e+01 1.92 1.533306458e+01 1.533306458e+01 1.94 1.355736416e+01 1.355736416e+01 1.96 1.191843857e+01 1.191843857e+01 1.98 1.040676084e+01 1.040676084e+01 2.00 9.013396515e+00 9.013396515e+00 2.02 7.729947711e+00 7.729947711e+00 2.04 6.548457785e+00 6.548457785e+00 2.06 5.461327602e+00 5.461327602e+00 2.08 4.461286811e+00 4.461286811e+00 2.10 3.541424466e+00 3.541424466e+00 2.12 2.695249989e+00 2.695249989e+00 2.14 1.916751481e+00 1.916751481e+00 2.16 1.200434655e+00 1.200434655e+00 2.18 5.413359756e-01 5.413359756e-01 2.20 -6.499356497e-02 -6.499356497e-02 2.22 -6.225356162e-01 -6.225356162e-01 2.24 -1.134873074e+00 -1.134873074e+00 2.26 -1.605262210e+00 -1.605262210e+00 2.28 -2.036690924e+00 -2.036690924e+00 2.30 -2.431914184e+00 -2.431914184e+00 2.32 -2.793471120e+00 -2.793471120e+00 2.34 -3.123689908e+00 -3.123689908e+00 2.36 -3.424693399e+00 -3.424693399e+00 2.38 -3.698412942e+00 -3.698412942e+00 2.40 -3.946614437e+00 -3.946614437e+00 2.42 -4.170932151e+00 -4.170932151e+00 2.44 -4.372899900e+00 -4.372899900e+00 2.46 -4.553907083e+00 -4.553907083e+00 2.48 -4.715376569e+00 -4.715376569e+00 2.50 -4.858725525e+00 -4.858725525e+00 2.52 -4.985296237e+00 -4.985296237e+00 2.54 -5.096351749e+00 -5.096351749e+00 2.56 -5.193071586e+00 -5.193071586e+00 2.58 -5.276549501e+00 -5.276549501e+00 2.60 -5.347793087e+00 -5.347793087e+00 2.62 -5.407700127e+00 -5.407700127e+00 2.64 -5.456915439e+00 -5.456915439e+00 2.66 -5.495969691e+00 -5.495969691e+00 2.68 -5.525373471e+00 -5.525373471e+00 2.70 -5.545619144e+00 -5.545619144e+00 2.72 -5.557184659e+00 -5.557184659e+00 2.74 -5.560549057e+00 -5.560549057e+00 2.76 -5.556301439e+00 -5.556301439e+00 2.78 -5.544826428e+00 -5.544826428e+00 2.80 -5.526411458e+00 -5.526411458e+00 2.82 -5.501367110e+00 -5.501367110e+00 2.84 -5.470022641e+00 -5.470022641e+00 2.86 -5.432722987e+00 -5.432722987e+00 2.88 -5.389827943e+00 -5.389827943e+00 2.90 -5.341696299e+00 -5.341696299e+00 2.92 -5.288500700e+00 -5.288500700e+00 2.94 -5.230273828e+00 -5.230273828e+00 2.96 -5.167132481e+00 -5.167132481e+00 2.98 -5.099289006e+00 -5.099289006e+00 3.00 -5.027044785e+00 -5.027044785e+00 3.02 -4.950777995e+00 -4.950777995e+00 3.04 -4.870922781e+00 -4.870922781e+00 3.06 -4.787940087e+00 -4.787940087e+00 3.08 -4.702282913e+00 -4.702282913e+00 3.10 -4.614363881e+00 -4.614363881e+00 3.12 -4.524530886e+00 -4.524530886e+00 3.14 -4.433055928e+00 -4.433055928e+00 3.16 -4.340135745e+00 -4.340135745e+00 3.18 -4.245903024e+00 -4.245903024e+00 3.20 -4.150442183e+00 -4.150442183e+00 3.22 -4.053806482e+00 -4.053806482e+00 3.24 -3.956033883e+00 -3.956033883e+00 3.26 -3.857160659e+00 -3.857160659e+00 3.28 -3.757232731e+00 -3.757232731e+00 3.30 -3.656315121e+00 -3.656315121e+00 3.32 -3.554499920e+00 -3.554499920e+00 3.34 -3.451912978e+00 -3.451912978e+00 3.36 -3.348719226e+00 -3.348719226e+00 3.38 -3.245126333e+00 -3.245126333e+00 3.40 -3.141386225e+00 -3.141386225e+00 3.42 -3.037794183e+00 -3.037794183e+00 3.44 -2.934684801e+00 -2.934684801e+00 3.46 -2.832425240e+00 -2.832425240e+00 3.48 -2.731405441e+00 -2.731405441e+00 3.50 -2.632025833e+00 -2.632025833e+00 3.52 -2.534683021e+00 -2.534683021e+00 3.54 -2.439754214e+00 -2.439754214e+00 3.56 -2.347581415e+00 -2.347581415e+00 3.58 -2.258456704e+00 -2.258456704e+00 3.60 -2.172610146e+00 -2.172610146e+00 3.62 -2.090201828e+00 -2.090201828e+00 3.64 -2.011319076e+00 -2.011319076e+00 3.66 -1.935979090e+00 -1.935979090e+00 3.68 -1.864136348e+00 -1.864136348e+00 3.70 -1.795693415e+00 -1.795693415e+00 3.72 -1.730513440e+00 -1.730513440e+00 3.74 -1.668432747e+00 -1.668432747e+00 3.76 -1.609272288e+00 -1.609272288e+00 3.78 -1.552847212e+00 -1.552847212e+00 3.80 -1.498974277e+00 -1.498974277e+00 3.82 -1.447477130e+00 -1.447477130e+00 3.84 -1.398189719e+00 -1.398189719e+00 3.86 -1.350958180e+00 -1.350958180e+00 3.88 -1.305641561e+00 -1.305641561e+00 3.90 -1.262111720e+00 -1.262111720e+00 3.92 -1.220252626e+00 -1.220252626e+00 3.94 -1.179959620e+00 -1.179959620e+00 3.96 -1.141137969e+00 -1.141137969e+00 3.98 -1.103701979e+00 -1.103701979e+00 4.00 -1.067573859e+00 -1.067573859e+00 4.02 -1.032682755e+00 -1.032682755e+00 4.04 -9.989639202e-01 -9.989639202e-01 4.06 -9.663580329e-01 -9.663580329e-01 4.08 -9.348106718e-01 -9.348106718e-01 4.10 -9.042717984e-01 -9.042717984e-01 4.12 -8.746961094e-01 -8.746961094e-01 4.14 -8.460419952e-01 -8.460419952e-01 4.16 -8.182721702e-01 -8.182721702e-01 4.18 -7.913535245e-01 -7.913535245e-01 4.20 -7.652571387e-01 -7.652571387e-01 4.22 -7.399582215e-01 -7.399582215e-01 4.24 -7.154358987e-01 -7.154358987e-01 4.26 -6.916727970e-01 -6.916727970e-01 4.28 -6.686543921e-01 -6.686543921e-01 4.30 -6.463681405e-01 -6.463681405e-01 4.32 -6.248024588e-01 -6.248024588e-01 4.34 -6.039456637e-01 -6.039456637e-01 4.36 -5.837850030e-01 -5.837850030e-01 4.38 -5.643058996e-01 -5.643058996e-01 4.40 -5.454914913e-01 -5.454914913e-01 4.42 -5.273224924e-01 -5.273224924e-01 4.44 -5.097773448e-01 -5.097773448e-01 4.46 -4.928325870e-01 -4.928325870e-01 4.48 -4.764633478e-01 -4.764633478e-01 4.50 -4.606438747e-01 -4.606438747e-01 4.52 -4.453480283e-01 -4.453480283e-01 4.54 -4.305496972e-01 -4.305496972e-01 4.56 -4.162231153e-01 -4.162231153e-01 4.58 -4.023430819e-01 -4.023430819e-01 4.60 -3.888851012e-01 -3.888851012e-01 4.62 -3.758254610e-01 -3.758254610e-01 4.64 -3.631412773e-01 -3.631412773e-01 4.66 -3.508105275e-01 -3.508105275e-01 4.68 -3.388120927e-01 -3.388120927e-01 4.70 -3.271258302e-01 -3.271258302e-01 4.72 -3.157326871e-01 -3.157326871e-01 4.74 -3.046148684e-01 -3.046148684e-01 4.76 -2.937560629e-01 -2.937560629e-01 4.78 -2.831417266e-01 -2.831417266e-01 4.80 -2.727593325e-01 -2.727593325e-01 4.82 -2.625990780e-01 -2.625990780e-01 4.84 -2.526537100e-01 -2.526537100e-01 4.86 -2.429192319e-01 -2.429192319e-01 4.88 -2.333950503e-01 -2.333950503e-01 4.90 -2.240840868e-01 -2.240840868e-01 4.92 -2.149927070e-01 -2.149927070e-01 4.94 -2.061304284e-01 -2.061304284e-01 4.96 -1.975093902e-01 -1.975093902e-01 4.98 -1.891435922e-01 -1.891435922e-01 5.00 -1.810479446e-01 -1.810479446e-01 5.02 -1.732371974e-01 -1.732371974e-01 5.04 -1.657248400e-01 -1.657248400e-01 5.06 -1.585220698e-01 -1.585220698e-01 5.08 -1.516369309e-01 -1.516369309e-01 5.10 -1.450736938e-01 -1.450736938e-01 5.12 -1.388325223e-01 -1.388325223e-01 5.14 -1.329093303e-01 -1.329093303e-01 5.16 -1.272958163e-01 -1.272958163e-01 5.18 -1.219809314e-01 -1.219809314e-01 5.20 -1.169507221e-01 -1.169507221e-01 5.22 -1.121889334e-01 -1.121889334e-01 5.24 -1.076777367e-01 -1.076777367e-01 5.26 -1.033984030e-01 -1.033984030e-01 5.28 -9.933188536e-02 -9.933188536e-02 5.30 -9.545929177e-02 -9.545929177e-02 5.32 -9.176224514e-02 -9.176224514e-02 5.34 -8.822313791e-02 -8.822313791e-02 5.36 -8.482529606e-02 -8.482529606e-02 5.38 -8.155307079e-02 -8.155307079e-02 5.40 -7.839187698e-02 -7.839187698e-02 5.42 -7.532819645e-02 -7.532819645e-02 5.44 -7.234956210e-02 -7.234956210e-02 5.46 -6.944453673e-02 -6.944453673e-02 5.48 -6.660269731e-02 -6.660269731e-02 5.50 -6.381463310e-02 -6.381463310e-02 5.52 -6.107196352e-02 -6.107196352e-02 5.54 -5.836737902e-02 -5.836737902e-02 5.56 -5.569470564e-02 -5.569470564e-02 5.58 -5.304899112e-02 -5.304899112e-02 5.60 -5.042660756e-02 -5.042660756e-02 5.62 -4.782536219e-02 -4.782536219e-02 5.64 -4.524460472e-02 -4.524460472e-02 5.66 -4.268531679e-02 -4.268531679e-02 5.68 -4.015016688e-02 -4.015016688e-02 5.70 -3.764351303e-02 -3.764351303e-02 5.72 -3.517133721e-02 -3.517133721e-02 5.74 -3.274109837e-02 -3.274109837e-02 5.76 -3.036149763e-02 -3.036149763e-02 5.78 -2.804215756e-02 -2.804215756e-02 5.80 -2.579322629e-02 -2.579322629e-02 5.82 -2.362492941e-02 -2.362492941e-02 5.84 -2.154709928e-02 -2.154709928e-02 5.86 -1.956871624e-02 -1.956871624e-02 5.88 -1.769749749e-02 -1.769749749e-02 5.90 -1.593956540e-02 -1.593956540e-02 5.92 -1.429913526e-02 -1.429913526e-02 5.94 -1.277837150e-02 -1.277837150e-02 5.96 -1.137783222e-02 -1.137783222e-02 5.98 -1.009621399e-02 -1.009621399e-02 6.00 -8.930518851e-03 -8.930518851e-03