# 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 = Co2PbTa # 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 2.865710488e+02 2.865710488e+02 1.30 2.659782073e+02 2.659782073e+02 1.32 2.468859589e+02 2.468859589e+02 1.34 2.291702726e+02 2.291702726e+02 1.36 2.127196754e+02 2.127196754e+02 1.38 1.974336623e+02 1.974336623e+02 1.40 1.832219209e+02 1.832219209e+02 1.42 1.700040552e+02 1.700040552e+02 1.44 1.577089481e+02 1.577089481e+02 1.46 1.462734594e+02 1.462734594e+02 1.48 1.356404481e+02 1.356404481e+02 1.50 1.257563376e+02 1.257563376e+02 1.52 1.165690994e+02 1.165690994e+02 1.54 1.080275744e+02 1.080275744e+02 1.56 1.000821513e+02 1.000821513e+02 1.58 9.268603102e+01 9.268603102e+01 1.60 8.579621872e+01 8.579621872e+01 1.62 7.937391499e+01 7.937391499e+01 1.64 7.338437402e+01 7.338437402e+01 1.66 6.779646123e+01 6.779646123e+01 1.68 6.258203520e+01 6.258203520e+01 1.70 5.771529886e+01 5.771529886e+01 1.72 5.317227391e+01 5.317227391e+01 1.74 4.893366351e+01 4.893366351e+01 1.76 4.498044499e+01 4.498044499e+01 1.78 4.129281373e+01 4.129281373e+01 1.80 3.785812961e+01 3.785812961e+01 1.82 3.466182891e+01 3.466182891e+01 1.84 3.168812023e+01 3.168812023e+01 1.86 2.892272693e+01 2.892272693e+01 1.88 2.635272595e+01 2.635272595e+01 1.90 2.396623784e+01 2.396623784e+01 1.92 2.175209625e+01 2.175209625e+01 1.94 1.969955956e+01 1.969955956e+01 1.96 1.779810483e+01 1.779810483e+01 1.98 1.603734191e+01 1.603734191e+01 2.00 1.440704453e+01 1.440704453e+01 2.02 1.289729053e+01 1.289729053e+01 2.04 1.149867039e+01 1.149867039e+01 2.06 1.020249445e+01 1.020249445e+01 2.08 9.000925535e+00 9.000925535e+00 2.10 7.887003329e+00 7.887003329e+00 2.12 6.854575052e+00 6.854575052e+00 2.14 5.898171864e+00 5.898171864e+00 2.16 5.012878271e+00 5.012878271e+00 2.18 4.194220475e+00 4.194220475e+00 2.20 3.438077072e+00 3.438077072e+00 2.22 2.740610349e+00 2.740610349e+00 2.24 2.098206021e+00 2.098206021e+00 2.26 1.507419328e+00 1.507419328e+00 2.28 9.649254233e-01 9.649254233e-01 2.30 4.674858467e-01 4.674858467e-01 2.32 1.192282449e-02 1.192282449e-02 2.34 -4.048758192e-01 -4.048758192e-01 2.36 -7.859380094e-01 -7.859380094e-01 2.38 -1.134086145e+00 -1.134086145e+00 2.40 -1.452015187e+00 -1.452015187e+00 2.42 -1.742456682e+00 -1.742456682e+00 2.44 -2.007847500e+00 -2.007847500e+00 2.46 -2.250320190e+00 -2.250320190e+00 2.48 -2.471724584e+00 -2.471724584e+00 2.50 -2.673642877e+00 -2.673642877e+00 2.52 -2.857204192e+00 -2.857204192e+00 2.54 -3.023311615e+00 -3.023311615e+00 2.56 -3.172876825e+00 -3.172876825e+00 2.58 -3.306820835e+00 -3.306820835e+00 2.60 -3.426070286e+00 -3.426070286e+00 2.62 -3.531547435e+00 -3.531547435e+00 2.64 -3.624155883e+00 -3.624155883e+00 2.66 -3.704759096e+00 -3.704759096e+00 2.68 -3.774193262e+00 -3.774193262e+00 2.70 -3.833267702e+00 -3.833267702e+00 2.72 -3.882616396e+00 -3.882616396e+00 2.74 -3.922828245e+00 -3.922828245e+00 2.76 -3.954462924e+00 -3.954462924e+00 2.78 -3.978054139e+00 -3.978054139e+00 2.80 -3.994112107e+00 -3.994112107e+00 2.82 -4.003123745e+00 -4.003123745e+00 2.84 -4.005553671e+00 -4.005553671e+00 2.86 -4.001837800e+00 -4.001837800e+00 2.88 -3.992321486e+00 -3.992321486e+00 2.90 -3.977302138e+00 -3.977302138e+00 2.92 -3.957080764e+00 -3.957080764e+00 2.94 -3.931962629e+00 -3.931962629e+00 2.96 -3.902258059e+00 -3.902258059e+00 2.98 -3.868283318e+00 -3.868283318e+00 3.00 -3.830360597e+00 -3.830360597e+00 3.02 -3.788815992e+00 -3.788815992e+00 3.04 -3.743973747e+00 -3.743973747e+00 3.06 -3.696152724e+00 -3.696152724e+00 3.08 -3.645650876e+00 -3.645650876e+00 3.10 -3.592741365e+00 -3.592741365e+00 3.12 -3.537665214e+00 -3.537665214e+00 3.14 -3.480632250e+00 -3.480632250e+00 3.16 -3.421820475e+00 -3.421820475e+00 3.18 -3.361417527e+00 -3.361417527e+00 3.20 -3.299572789e+00 -3.299572789e+00 3.22 -3.236325325e+00 -3.236325325e+00 3.24 -3.171727566e+00 -3.171727566e+00 3.26 -3.105854175e+00 -3.105854175e+00 3.28 -3.038806011e+00 -3.038806011e+00 3.30 -2.970689983e+00 -2.970689983e+00 3.32 -2.901615256e+00 -2.901615256e+00 3.34 -2.831727757e+00 -2.831727757e+00 3.36 -2.761206395e+00 -2.761206395e+00 3.38 -2.690253052e+00 -2.690253052e+00 3.40 -2.619080098e+00 -2.619080098e+00 3.42 -2.547898082e+00 -2.547898082e+00 3.44 -2.476902377e+00 -2.476902377e+00 3.46 -2.406264093e+00 -2.406264093e+00 3.48 -2.336123116e+00 -2.336123116e+00 3.50 -2.266584855e+00 -2.266584855e+00 3.52 -2.197720349e+00 -2.197720349e+00 3.54 -2.129569213e+00 -2.129569213e+00 3.56 -2.062144760e+00 -2.062144760e+00 3.58 -1.995440630e+00 -1.995440630e+00 3.60 -1.929438285e+00 -1.929438285e+00 3.62 -1.864114861e+00 -1.864114861e+00 3.64 -1.799450911e+00 -1.799450911e+00 3.66 -1.735437647e+00 -1.735437647e+00 3.68 -1.672083263e+00 -1.672083263e+00 3.70 -1.609417953e+00 -1.609417953e+00 3.72 -1.547497232e+00 -1.547497232e+00 3.74 -1.486403231e+00 -1.486403231e+00 3.76 -1.426243776e+00 -1.426243776e+00 3.78 -1.367149232e+00 -1.367149232e+00 3.80 -1.309267300e+00 -1.309267300e+00 3.82 -1.252756184e+00 -1.252756184e+00 3.84 -1.197776715e+00 -1.197776715e+00 3.86 -1.144484097e+00 -1.144484097e+00 3.88 -1.093020018e+00 -1.093020018e+00 3.90 -1.043505734e+00 -1.043505734e+00 3.92 -9.960361844e-01 -9.960361844e-01 3.94 -9.506784851e-01 -9.506784851e-01 3.96 -9.074670971e-01 -9.074670971e-01 3.98 -8.664063963e-01 -8.664063963e-01 4.00 -8.274720086e-01 -8.274720086e-01 4.02 -7.906140422e-01 -7.906140422e-01 4.04 -7.557612052e-01 -7.557612052e-01 4.06 -7.228254023e-01 -7.228254023e-01 4.08 -6.917064554e-01 -6.917064554e-01 4.10 -6.622956774e-01 -6.622956774e-01 4.12 -6.344841725e-01 -6.344841725e-01 4.14 -6.081600563e-01 -6.081600563e-01 4.16 -5.832161082e-01 -5.832161082e-01 4.18 -5.595510651e-01 -5.595510651e-01 4.20 -5.370714777e-01 -5.370714777e-01 4.22 -5.156929137e-01 -5.156929137e-01 4.24 -4.953404967e-01 -4.953404967e-01 4.26 -4.759487902e-01 -4.759487902e-01 4.28 -4.574610699e-01 -4.574610699e-01 4.30 -4.398280809e-01 -4.398280809e-01 4.32 -4.230064374e-01 -4.230064374e-01 4.34 -4.069568705e-01 -4.069568705e-01 4.36 -3.916425502e-01 -3.916425502e-01 4.38 -3.770276784e-01 -3.770276784e-01 4.40 -3.630764937e-01 -3.630764937e-01 4.42 -3.497527335e-01 -3.497527335e-01 4.44 -3.370195214e-01 -3.370195214e-01 4.46 -3.248395790e-01 -3.248395790e-01 4.48 -3.131756383e-01 -3.131756383e-01 4.50 -3.019909274e-01 -3.019909274e-01 4.52 -2.912496346e-01 -2.912496346e-01 4.54 -2.809172860e-01 -2.809172860e-01 4.56 -2.709610122e-01 -2.709610122e-01 4.58 -2.613497021e-01 -2.613497021e-01 4.60 -2.520540662e-01 -2.520540662e-01 4.62 -2.430466375e-01 -2.430466375e-01 4.64 -2.343017425e-01 -2.343017425e-01 4.66 -2.257954737e-01 -2.257954737e-01 4.68 -2.175056910e-01 -2.175056910e-01 4.70 -2.094120739e-01 -2.094120739e-01 4.72 -2.014962394e-01 -2.014962394e-01 4.74 -1.937419347e-01 -1.937419347e-01 4.76 -1.861353025e-01 -1.861353025e-01 4.78 -1.786652092e-01 -1.786652092e-01 4.80 -1.713228324e-01 -1.713228324e-01 4.82 -1.641052572e-01 -1.641052572e-01 4.84 -1.570107365e-01 -1.570107365e-01 4.86 -1.500424113e-01 -1.500424113e-01 4.88 -1.432074039e-01 -1.432074039e-01 4.90 -1.365165945e-01 -1.365165945e-01 4.92 -1.299841197e-01 -1.299841197e-01 4.94 -1.236265802e-01 -1.236265802e-01 4.96 -1.174619934e-01 -1.174619934e-01 4.98 -1.115085693e-01 -1.115085693e-01 5.00 -1.057834213e-01 -1.057834213e-01 5.02 -1.003013553e-01 -1.003013553e-01 5.04 -9.507386429e-02 -9.507386429e-02 5.06 -9.010843512e-02 -9.010843512e-02 5.08 -8.540785865e-02 -8.540785865e-02 5.10 -8.097075650e-02 -8.097075650e-02 5.12 -7.679252557e-02 -7.679252557e-02 5.14 -7.286508937e-02 -7.286508937e-02 5.16 -6.917769796e-02 -6.917769796e-02 5.18 -6.571777971e-02 -6.571777971e-02 5.20 -6.247174547e-02 -6.247174547e-02 5.22 -5.942567920e-02 -5.942567920e-02 5.24 -5.656588614e-02 -5.656588614e-02 5.26 -5.387928391e-02 -5.387928391e-02 5.28 -5.135364352e-02 -5.135364352e-02 5.30 -4.897769255e-02 -4.897769255e-02 5.32 -4.674101048e-02 -4.674101048e-02 5.34 -4.463423791e-02 -4.463423791e-02 5.36 -4.264885781e-02 -4.264885781e-02 5.38 -4.077699959e-02 -4.077699959e-02 5.40 -3.901131667e-02 -3.901131667e-02 5.42 -3.734487753e-02 -3.734487753e-02 5.44 -3.577107840e-02 -3.577107840e-02 5.46 -3.428358099e-02 -3.428358099e-02 5.48 -3.287627422e-02 -3.287627422e-02 5.50 -3.154325676e-02 -3.154325676e-02 5.52 -3.027883526e-02 -3.027883526e-02 5.54 -2.907753322e-02 -2.907753322e-02 5.56 -2.793410540e-02 -2.793410540e-02 5.58 -2.684355404e-02 -2.684355404e-02 5.60 -2.580114380e-02 -2.580114380e-02 5.62 -2.480241378e-02 -2.480241378e-02 5.64 -2.384318559e-02 -2.384318559e-02 5.66 -2.291956777e-02 -2.291956777e-02 5.68 -2.202795682e-02 -2.202795682e-02 5.70 -2.116503570e-02 -2.116503570e-02 5.72 -2.032777071e-02 -2.032777071e-02 5.74 -1.951340791e-02 -1.951340791e-02 5.76 -1.871946974e-02 -1.871946974e-02 5.78 -1.794375256e-02 -1.794375256e-02 5.80 -1.718432570e-02 -1.718432570e-02 5.82 -1.643953197e-02 -1.643953197e-02 5.84 -1.570798976e-02 -1.570798976e-02 5.86 -1.498859610e-02 -1.498859610e-02 5.88 -1.428053015e-02 -1.428053015e-02 5.90 -1.358325611e-02 -1.358325611e-02 5.92 -1.289652432e-02 -1.289652432e-02 5.94 -1.222035867e-02 -1.222035867e-02 5.96 -1.155501167e-02 -1.155501167e-02 5.98 -1.090106585e-02 -1.090106585e-02 6.00 -1.025936126e-02 -1.025936126e-02