# 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 = Al2CoPb # 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 1.645985965e+02 1.645985965e+02 1.30 1.533329262e+02 1.533329262e+02 1.32 1.428580847e+02 1.428580847e+02 1.34 1.331117838e+02 1.331117838e+02 1.36 1.240367716e+02 1.240367716e+02 1.38 1.155804398e+02 1.155804398e+02 1.40 1.076949698e+02 1.076949698e+02 1.42 1.003374747e+02 1.003374747e+02 1.44 9.346964331e+01 9.346964331e+01 1.46 8.705695201e+01 8.705695201e+01 1.48 8.106784353e+01 8.106784353e+01 1.50 7.547310055e+01 7.547310055e+01 1.52 7.024541874e+01 7.024541874e+01 1.54 6.535912417e+01 6.535912417e+01 1.56 6.079004112e+01 6.079004112e+01 1.58 5.651547332e+01 5.651547332e+01 1.60 5.251424186e+01 5.251424186e+01 1.62 4.876720056e+01 4.876720056e+01 1.64 4.526299272e+01 4.526299272e+01 1.66 4.198711098e+01 4.198711098e+01 1.68 3.892650082e+01 3.892650082e+01 1.70 3.606867380e+01 3.606867380e+01 1.72 3.340003784e+01 3.340003784e+01 1.74 3.090760944e+01 3.090760944e+01 1.76 2.857894605e+01 2.857894605e+01 1.78 2.640224611e+01 2.640224611e+01 1.80 2.436654558e+01 2.436654558e+01 1.82 2.246189570e+01 2.246189570e+01 1.84 2.067941896e+01 2.067941896e+01 1.86 1.901121984e+01 1.901121984e+01 1.88 1.745021787e+01 1.745021787e+01 1.90 1.598995354e+01 1.598995354e+01 1.92 1.462441656e+01 1.462441656e+01 1.94 1.334791175e+01 1.334791175e+01 1.96 1.215497778e+01 1.215497778e+01 1.98 1.104036827e+01 1.104036827e+01 2.00 9.999079025e+00 9.999079025e+00 2.02 9.026392284e+00 9.026392284e+00 2.04 8.117904918e+00 8.117904918e+00 2.06 7.269527195e+00 7.269527195e+00 2.08 6.477454315e+00 6.477454315e+00 2.10 5.738127835e+00 5.738127835e+00 2.12 5.048197677e+00 5.048197677e+00 2.14 4.404496766e+00 4.404496766e+00 2.16 3.804033164e+00 3.804033164e+00 2.18 3.243998132e+00 3.243998132e+00 2.20 2.721780669e+00 2.721780669e+00 2.22 2.234980636e+00 2.234980636e+00 2.24 1.781409314e+00 1.781409314e+00 2.26 1.359076626e+00 1.359076626e+00 2.28 9.661658576e-01 9.661658576e-01 2.30 6.010109622e-01 6.010109622e-01 2.32 2.620684458e-01 2.620684458e-01 2.34 -5.209795700e-02 -5.209795700e-02 2.36 -3.428329140e-01 -3.428329140e-01 2.38 -6.113994247e-01 -6.113994247e-01 2.40 -8.589887333e-01 -8.589887333e-01 2.42 -1.086731541e+00 -1.086731541e+00 2.44 -1.295711220e+00 -1.295711220e+00 2.46 -1.486977415e+00 -1.486977415e+00 2.48 -1.661558215e+00 -1.661558215e+00 2.50 -1.820469171e+00 -1.820469171e+00 2.52 -1.964728058e+00 -1.964728058e+00 2.54 -2.095378161e+00 -2.095378161e+00 2.56 -2.213397768e+00 -2.213397768e+00 2.58 -2.319766965e+00 -2.319766965e+00 2.60 -2.415474200e+00 -2.415474200e+00 2.62 -2.501498075e+00 -2.501498075e+00 2.64 -2.578777781e+00 -2.578777781e+00 2.66 -2.648173209e+00 -2.648173209e+00 2.68 -2.710434686e+00 -2.710434686e+00 2.70 -2.766170490e+00 -2.766170490e+00 2.72 -2.816708389e+00 -2.816708389e+00 2.74 -2.862725265e+00 -2.862725265e+00 2.76 -2.904058572e+00 -2.904058572e+00 2.78 -2.940581183e+00 -2.940581183e+00 2.80 -2.972202841e+00 -2.972202841e+00 2.82 -2.998868152e+00 -2.998868152e+00 2.84 -3.020554889e+00 -3.020554889e+00 2.86 -3.037270168e+00 -3.037270168e+00 2.88 -3.049047263e+00 -3.049047263e+00 2.90 -3.055951786e+00 -3.055951786e+00 2.92 -3.058093803e+00 -3.058093803e+00 2.94 -3.055610616e+00 -3.055610616e+00 2.96 -3.048670915e+00 -3.048670915e+00 2.98 -3.037483872e+00 -3.037483872e+00 3.00 -3.022307790e+00 -3.022307790e+00 3.02 -3.003455237e+00 -3.003455237e+00 3.04 -2.981290949e+00 -2.981290949e+00 3.06 -2.956224061e+00 -2.956224061e+00 3.08 -2.928685478e+00 -2.928685478e+00 3.10 -2.899106486e+00 -2.899106486e+00 3.12 -2.867892637e+00 -2.867892637e+00 3.14 -2.835405723e+00 -2.835405723e+00 3.16 -2.801947569e+00 -2.801947569e+00 3.18 -2.767761989e+00 -2.767761989e+00 3.20 -2.733053244e+00 -2.733053244e+00 3.22 -2.697941366e+00 -2.697941366e+00 3.24 -2.662500989e+00 -2.662500989e+00 3.26 -2.626779058e+00 -2.626779058e+00 3.28 -2.590803033e+00 -2.590803033e+00 3.30 -2.554587702e+00 -2.554587702e+00 3.32 -2.518140646e+00 -2.518140646e+00 3.34 -2.481466526e+00 -2.481466526e+00 3.36 -2.444570359e+00 -2.444570359e+00 3.38 -2.407459930e+00 -2.407459930e+00 3.40 -2.370146611e+00 -2.370146611e+00 3.42 -2.332643967e+00 -2.332643967e+00 3.44 -2.294969649e+00 -2.294969649e+00 3.46 -2.257147997e+00 -2.257147997e+00 3.48 -2.219209059e+00 -2.219209059e+00 3.50 -2.181187537e+00 -2.181187537e+00 3.52 -2.143121539e+00 -2.143121539e+00 3.54 -2.105051266e+00 -2.105051266e+00 3.56 -2.067017755e+00 -2.067017755e+00 3.58 -2.029061768e+00 -2.029061768e+00 3.60 -1.991222903e+00 -1.991222903e+00 3.62 -1.953538969e+00 -1.953538969e+00 3.64 -1.916045594e+00 -1.916045594e+00 3.66 -1.878776041e+00 -1.878776041e+00 3.68 -1.841761150e+00 -1.841761150e+00 3.70 -1.805029305e+00 -1.805029305e+00 3.72 -1.768606359e+00 -1.768606359e+00 3.74 -1.732515435e+00 -1.732515435e+00 3.76 -1.696776606e+00 -1.696776606e+00 3.78 -1.661406476e+00 -1.661406476e+00 3.80 -1.626417738e+00 -1.626417738e+00 3.82 -1.591818811e+00 -1.591818811e+00 3.84 -1.557613631e+00 -1.557613631e+00 3.86 -1.523801664e+00 -1.523801664e+00 3.88 -1.490378127e+00 -1.490378127e+00 3.90 -1.457334410e+00 -1.457334410e+00 3.92 -1.424658293e+00 -1.424658293e+00 3.94 -1.392335862e+00 -1.392335862e+00 3.96 -1.360350004e+00 -1.360350004e+00 3.98 -1.328682407e+00 -1.328682407e+00 4.00 -1.297313658e+00 -1.297313658e+00 4.02 -1.266223693e+00 -1.266223693e+00 4.04 -1.235392276e+00 -1.235392276e+00 4.06 -1.204799561e+00 -1.204799561e+00 4.08 -1.174426808e+00 -1.174426808e+00 4.10 -1.144256257e+00 -1.144256257e+00 4.12 -1.114276770e+00 -1.114276770e+00 4.14 -1.084478275e+00 -1.084478275e+00 4.16 -1.054858334e+00 -1.054858334e+00 4.18 -1.025422571e+00 -1.025422571e+00 4.20 -9.961863172e-01 -9.961863172e-01 4.22 -9.671759074e-01 -9.671759074e-01 4.24 -9.384293738e-01 -9.384293738e-01 4.26 -9.099962598e-01 -9.099962598e-01 4.28 -8.819363648e-01 -8.819363648e-01 4.30 -8.543173477e-01 -8.543173477e-01 4.32 -8.272112896e-01 -8.272112896e-01 4.34 -8.006904995e-01 -8.006904995e-01 4.36 -7.748229959e-01 -7.748229959e-01 4.38 -7.496681704e-01 -7.496681704e-01 4.40 -7.252731258e-01 -7.252731258e-01 4.42 -7.016700590e-01 -7.016700590e-01 4.44 -6.788748931e-01 -6.788748931e-01 4.46 -6.568871613e-01 -6.568871613e-01 4.48 -6.356909846e-01 -6.356909846e-01 4.50 -6.152568716e-01 -6.152568716e-01 4.52 -5.955440233e-01 -5.955440233e-01 4.54 -5.765028436e-01 -5.765028436e-01 4.56 -5.580774085e-01 -5.580774085e-01 4.58 -5.402077262e-01 -5.402077262e-01 4.60 -5.228316961e-01 -5.228316961e-01 4.62 -5.058867420e-01 -5.058867420e-01 4.64 -4.893111452e-01 -4.893111452e-01 4.66 -4.730451377e-01 -4.730451377e-01 4.68 -4.570318279e-01 -4.570318279e-01 4.70 -4.412180381e-01 -4.412180381e-01 4.72 -4.255551247e-01 -4.255551247e-01 4.74 -4.099998350e-01 -4.099998350e-01 4.76 -3.945152369e-01 -3.945152369e-01 4.78 -3.790717285e-01 -3.790717285e-01 4.80 -3.636473919e-01 -3.636473919e-01 4.82 -3.482320322e-01 -3.482320322e-01 4.84 -3.328235300e-01 -3.328235300e-01 4.86 -3.174318570e-01 -3.174318570e-01 4.88 -3.020786865e-01 -3.020786865e-01 4.90 -2.867973790e-01 -2.867973790e-01 4.92 -2.716323809e-01 -2.716323809e-01 4.94 -2.566379579e-01 -2.566379579e-01 4.96 -2.418762513e-01 -2.418762513e-01 4.98 -2.274147256e-01 -2.274147256e-01 5.00 -2.133231552e-01 -2.133231552e-01 5.02 -1.996703724e-01 -1.996703724e-01 5.04 -1.865210393e-01 -1.865210393e-01 5.06 -1.739327137e-01 -1.739327137e-01 5.08 -1.619534471e-01 -1.619534471e-01 5.10 -1.506200855e-01 -1.506200855e-01 5.12 -1.399573590e-01 -1.399573590e-01 5.14 -1.299777554e-01 -1.299777554e-01 5.16 -1.206820933e-01 -1.206820933e-01 5.18 -1.120606542e-01 -1.120606542e-01 5.20 -1.040947010e-01 -1.040947010e-01 5.22 -9.675820672e-02 -9.675820672e-02 5.24 -9.001962815e-02 -9.001962815e-02 5.26 -8.384361315e-02 -8.384361315e-02 5.28 -7.819253412e-02 -7.819253412e-02 5.30 -7.302778882e-02 -7.302778882e-02 5.32 -6.831085521e-02 -6.831085521e-02 5.34 -6.400410642e-02 -6.400410642e-02 5.36 -6.007139484e-02 -6.007139484e-02 5.38 -5.647789937e-02 -5.647789937e-02 5.40 -5.319159460e-02 -5.319159460e-02 5.42 -5.018302113e-02 -5.018302113e-02 5.44 -4.742477188e-02 -4.742477188e-02 5.46 -4.489144166e-02 -4.489144166e-02 5.48 -4.255992111e-02 -4.255992111e-02 5.50 -4.040914419e-02 -4.040914419e-02 5.52 -3.841993622e-02 -3.841993622e-02 5.54 -3.657491058e-02 -3.657491058e-02 5.56 -3.485835214e-02 -3.485835214e-02 5.58 -3.325609488e-02 -3.325609488e-02 5.60 -3.175539882e-02 -3.175539882e-02 5.62 -3.034482989e-02 -3.034482989e-02 5.64 -2.901414353e-02 -2.901414353e-02 5.66 -2.775417710e-02 -2.775417710e-02 5.68 -2.655674984e-02 -2.655674984e-02 5.70 -2.541457160e-02 -2.541457160e-02 5.72 -2.432116101e-02 -2.432116101e-02 5.74 -2.327077321e-02 -2.327077321e-02 5.76 -2.225833730e-02 -2.225833730e-02 5.78 -2.127940298e-02 -2.127940298e-02 5.80 -2.033009608e-02 -2.033009608e-02 5.82 -1.940708213e-02 -1.940708213e-02 5.84 -1.850753696e-02 -1.850753696e-02 5.86 -1.762912324e-02 -1.762912324e-02 5.88 -1.676997128e-02 -1.676997128e-02 5.90 -1.592866259e-02 -1.592866259e-02 5.92 -1.510421430e-02 -1.510421430e-02 5.94 -1.429604572e-02 -1.429604572e-02 5.96 -1.350389506e-02 -1.350389506e-02 5.98 -1.272797903e-02 -1.272797903e-02 6.00 -1.196887635e-02 -1.196887635e-02