# 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 = CoCuZr2 # 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 2.334900416e+02 2.334900416e+02 1.30 2.160261329e+02 2.160261329e+02 1.32 1.998652153e+02 1.998652153e+02 1.34 1.849044918e+02 1.849044918e+02 1.36 1.710499295e+02 1.710499295e+02 1.38 1.582155360e+02 1.582155360e+02 1.40 1.463225851e+02 1.463225851e+02 1.42 1.352983389e+02 1.352983389e+02 1.44 1.250748278e+02 1.250748278e+02 1.46 1.155887666e+02 1.155887666e+02 1.48 1.067823363e+02 1.067823363e+02 1.50 9.860336894e+01 9.860336894e+01 1.52 9.100449054e+01 9.100449054e+01 1.54 8.394199836e+01 8.394199836e+01 1.56 7.737536669e+01 7.737536669e+01 1.58 7.126749332e+01 7.126749332e+01 1.60 6.558495957e+01 6.558495957e+01 1.62 6.029780236e+01 6.029780236e+01 1.64 5.537889102e+01 5.537889102e+01 1.66 5.080328864e+01 5.080328864e+01 1.68 4.654784994e+01 4.654784994e+01 1.70 4.259114978e+01 4.259114978e+01 1.72 3.891336926e+01 3.891336926e+01 1.74 3.549607930e+01 3.549607930e+01 1.76 3.232193153e+01 3.232193153e+01 1.78 2.937445408e+01 2.937445408e+01 1.80 2.663792395e+01 2.663792395e+01 1.82 2.409735140e+01 2.409735140e+01 1.84 2.173838370e+01 2.173838370e+01 1.86 1.954743018e+01 1.954743018e+01 1.88 1.751263179e+01 1.751263179e+01 1.90 1.562283927e+01 1.562283927e+01 1.92 1.386766236e+01 1.386766236e+01 1.94 1.223798439e+01 1.223798439e+01 1.96 1.072583795e+01 1.072583795e+01 1.98 9.323514713e+00 9.323514713e+00 2.00 8.023897158e+00 8.023897158e+00 2.02 6.820377359e+00 6.820377359e+00 2.04 5.706769147e+00 5.706769147e+00 2.06 4.677217896e+00 4.677217896e+00 2.08 3.726115454e+00 3.726115454e+00 2.10 2.848055951e+00 2.848055951e+00 2.12 2.037855164e+00 2.037855164e+00 2.14 1.290602626e+00 1.290602626e+00 2.16 6.017459858e-01 6.017459858e-01 2.18 -3.287411582e-02 -3.287411582e-02 2.20 -6.170326969e-01 -6.170326969e-01 2.22 -1.154195570e+00 -1.154195570e+00 2.24 -1.647584694e+00 -1.647584694e+00 2.26 -2.100212609e+00 -2.100212609e+00 2.28 -2.514900397e+00 -2.514900397e+00 2.30 -2.894240577e+00 -2.894240577e+00 2.32 -3.240636691e+00 -3.240636691e+00 2.34 -3.556272058e+00 -3.556272058e+00 2.36 -3.843164225e+00 -3.843164225e+00 2.38 -4.103186163e+00 -4.103186163e+00 2.40 -4.338097304e+00 -4.338097304e+00 2.42 -4.549582503e+00 -4.549582503e+00 2.44 -4.739272649e+00 -4.739272649e+00 2.46 -4.908768605e+00 -4.908768605e+00 2.48 -5.059638382e+00 -5.059638382e+00 2.50 -5.193398194e+00 -5.193398194e+00 2.52 -5.311482986e+00 -5.311482986e+00 2.54 -5.415216941e+00 -5.415216941e+00 2.56 -5.505793086e+00 -5.505793086e+00 2.58 -5.584267315e+00 -5.584267315e+00 2.60 -5.651567250e+00 -5.651567250e+00 2.62 -5.708507966e+00 -5.708507966e+00 2.64 -5.755856889e+00 -5.755856889e+00 2.66 -5.794394413e+00 -5.794394413e+00 2.68 -5.824648355e+00 -5.824648355e+00 2.70 -5.847116272e+00 -5.847116272e+00 2.72 -5.862307608e+00 -5.862307608e+00 2.74 -5.870736608e+00 -5.870736608e+00 2.76 -5.872909999e+00 -5.872909999e+00 2.78 -5.869309881e+00 -5.869309881e+00 2.80 -5.860390490e+00 -5.860390490e+00 2.82 -5.846411779e+00 -5.846411779e+00 2.84 -5.827441662e+00 -5.827441662e+00 2.86 -5.803568950e+00 -5.803568950e+00 2.88 -5.774915867e+00 -5.774915867e+00 2.90 -5.741636022e+00 -5.741636022e+00 2.92 -5.703914926e+00 -5.703914926e+00 2.94 -5.661995354e+00 -5.661995354e+00 2.96 -5.616099669e+00 -5.616099669e+00 2.98 -5.566456771e+00 -5.566456771e+00 3.00 -5.513315925e+00 -5.513315925e+00 3.02 -5.456940033e+00 -5.456940033e+00 3.04 -5.397594107e+00 -5.397594107e+00 3.06 -5.335558280e+00 -5.335558280e+00 3.08 -5.271121949e+00 -5.271121949e+00 3.10 -5.204685525e+00 -5.204685525e+00 3.12 -5.136388604e+00 -5.136388604e+00 3.14 -5.066320166e+00 -5.066320166e+00 3.16 -4.994554622e+00 -4.994554622e+00 3.18 -4.921185298e+00 -4.921185298e+00 3.20 -4.846316414e+00 -4.846316414e+00 3.22 -4.770060374e+00 -4.770060374e+00 3.24 -4.692536801e+00 -4.692536801e+00 3.26 -4.613873557e+00 -4.613873557e+00 3.28 -4.534211548e+00 -4.534211548e+00 3.30 -4.453717431e+00 -4.453717431e+00 3.32 -4.372569746e+00 -4.372569746e+00 3.34 -4.290949740e+00 -4.290949740e+00 3.36 -4.209034565e+00 -4.209034565e+00 3.38 -4.126989996e+00 -4.126989996e+00 3.40 -4.044962900e+00 -4.044962900e+00 3.42 -3.963086128e+00 -3.963086128e+00 3.44 -3.881466567e+00 -3.881466567e+00 3.46 -3.800196214e+00 -3.800196214e+00 3.48 -3.719353130e+00 -3.719353130e+00 3.50 -3.639004527e+00 -3.639004527e+00 3.52 -3.559209007e+00 -3.559209007e+00 3.54 -3.480017810e+00 -3.480017810e+00 3.56 -3.401475255e+00 -3.401475255e+00 3.58 -3.323618709e+00 -3.323618709e+00 3.60 -3.246478452e+00 -3.246478452e+00 3.62 -3.170077764e+00 -3.170077764e+00 3.64 -3.094433465e+00 -3.094433465e+00 3.66 -3.019557080e+00 -3.019557080e+00 3.68 -2.945456702e+00 -2.945456702e+00 3.70 -2.872139563e+00 -2.872139563e+00 3.72 -2.799615205e+00 -2.799615205e+00 3.74 -2.727899070e+00 -2.727899070e+00 3.76 -2.657016182e+00 -2.657016182e+00 3.78 -2.587004474e+00 -2.587004474e+00 3.80 -2.517917210e+00 -2.517917210e+00 3.82 -2.449823880e+00 -2.449823880e+00 3.84 -2.382809048e+00 -2.382809048e+00 3.86 -2.316968827e+00 -2.316968827e+00 3.88 -2.252405090e+00 -2.252405090e+00 3.90 -2.189217994e+00 -2.189217994e+00 3.92 -2.127494356e+00 -2.127494356e+00 3.94 -2.067314973e+00 -2.067314973e+00 3.96 -2.008725684e+00 -2.008725684e+00 3.98 -1.951750920e+00 -1.951750920e+00 4.00 -1.896389248e+00 -1.896389248e+00 4.02 -1.842615799e+00 -1.842615799e+00 4.04 -1.790386437e+00 -1.790386437e+00 4.06 -1.739642793e+00 -1.739642793e+00 4.08 -1.690317365e+00 -1.690317365e+00 4.10 -1.642331221e+00 -1.642331221e+00 4.12 -1.595626789e+00 -1.595626789e+00 4.14 -1.550125157e+00 -1.550125157e+00 4.16 -1.505760377e+00 -1.505760377e+00 4.18 -1.462472408e+00 -1.462472408e+00 4.20 -1.420208072e+00 -1.420208072e+00 4.22 -1.378921606e+00 -1.378921606e+00 4.24 -1.338574916e+00 -1.338574916e+00 4.26 -1.299137584e+00 -1.299137584e+00 4.28 -1.260586654e+00 -1.260586654e+00 4.30 -1.222906247e+00 -1.222906247e+00 4.32 -1.186086989e+00 -1.186086989e+00 4.34 -1.150125293e+00 -1.150125293e+00 4.36 -1.115022504e+00 -1.115022504e+00 4.38 -1.080783919e+00 -1.080783919e+00 4.40 -1.047417693e+00 -1.047417693e+00 4.42 -1.014933629e+00 -1.014933629e+00 4.44 -9.833418714e-01 -9.833418714e-01 4.46 -9.526515564e-01 -9.526515564e-01 4.48 -9.228694674e-01 -9.228694674e-01 4.50 -8.939988119e-01 -8.939988119e-01 4.52 -8.660382166e-01 -8.660382166e-01 4.54 -8.389810353e-01 -8.389810353e-01 4.56 -8.128150322e-01 -8.128150322e-01 4.58 -7.875224500e-01 -7.875224500e-01 4.60 -7.630804333e-01 -7.630804333e-01 4.62 -7.394617336e-01 -7.394617336e-01 4.64 -7.166356057e-01 -7.166356057e-01 4.66 -6.945688010e-01 -6.945688010e-01 4.68 -6.732265720e-01 -6.732265720e-01 4.70 -6.525736264e-01 -6.525736264e-01 4.72 -6.325749872e-01 -6.325749872e-01 4.74 -6.131967404e-01 -6.131967404e-01 4.76 -5.944066630e-01 -5.944066630e-01 4.78 -5.761747364e-01 -5.761747364e-01 4.80 -5.584673764e-01 -5.584673764e-01 4.82 -5.412734701e-01 -5.412734701e-01 4.84 -5.245642080e-01 -5.245642080e-01 4.86 -5.083213813e-01 -5.083213813e-01 4.88 -4.925298861e-01 -4.925298861e-01 4.90 -4.771775232e-01 -4.771775232e-01 4.92 -4.622546470e-01 -4.622546470e-01 4.94 -4.477536678e-01 -4.477536678e-01 4.96 -4.336684320e-01 -4.336684320e-01 4.98 -4.199935215e-01 -4.199935215e-01 5.00 -4.067235305e-01 -4.067235305e-01 5.02 -3.938523876e-01 -3.938523876e-01 5.04 -3.813727874e-01 -3.813727874e-01 5.06 -3.692757821e-01 -3.692757821e-01 5.08 -3.575505637e-01 -3.575505637e-01 5.10 -3.461844406e-01 -3.461844406e-01 5.12 -3.351629913e-01 -3.351629913e-01 5.14 -3.244703602e-01 -3.244703602e-01 5.16 -3.140896532e-01 -3.140896532e-01 5.18 -3.040033927e-01 -3.040033927e-01 5.20 -2.941939934e-01 -2.941939934e-01 5.22 -2.846442356e-01 -2.846442356e-01 5.24 -2.753377160e-01 -2.753377160e-01 5.26 -2.662592682e-01 -2.662592682e-01 5.28 -2.573953459e-01 -2.573953459e-01 5.30 -2.487343638e-01 -2.487343638e-01 5.32 -2.402669907e-01 -2.402669907e-01 5.34 -2.319863816e-01 -2.319863816e-01 5.36 -2.238883339e-01 -2.238883339e-01 5.38 -2.159713478e-01 -2.159713478e-01 5.40 -2.082365710e-01 -2.082365710e-01 5.42 -2.006876090e-01 -2.006876090e-01 5.44 -1.933301920e-01 -1.933301920e-01 5.46 -1.861717017e-01 -1.861717017e-01 5.48 -1.792205755e-01 -1.792205755e-01 5.50 -1.724856243e-01 -1.724856243e-01 5.52 -1.659753137e-01 -1.659753137e-01 5.54 -1.596970659e-01 -1.596970659e-01 5.56 -1.536566407e-01 -1.536566407e-01 5.58 -1.478576469e-01 -1.478576469e-01 5.60 -1.423010154e-01 -1.423010154e-01 5.62 -1.369850977e-01 -1.369850977e-01 5.64 -1.319060437e-01 -1.319060437e-01 5.66 -1.270575192e-01 -1.270575192e-01 5.68 -1.224310137e-01 -1.224310137e-01 5.70 -1.180162292e-01 -1.180162292e-01 5.72 -1.138015009e-01 -1.138015009e-01 5.74 -1.097742134e-01 -1.097742134e-01 5.76 -1.059211859e-01 -1.059211859e-01 5.78 -1.022290074e-01 -1.022290074e-01 5.80 -9.868431445e-02 -9.868431445e-02 5.82 -9.527400704e-02 -9.527400704e-02 5.84 -9.198540978e-02 -9.198540978e-02 5.86 -8.880638313e-02 -8.880638313e-02 5.88 -8.572539521e-02 -8.572539521e-02 5.90 -8.273156358e-02 -8.273156358e-02 5.92 -7.981467668e-02 -7.981467668e-02 5.94 -7.696520374e-02 -7.696520374e-02 5.96 -7.417430064e-02 -7.417430064e-02 5.98 -7.143381806e-02 -7.143381806e-02 6.00 -6.873631711e-02 -6.873631711e-02