# 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 = CuTiZr2 # 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 2.763928420e+02 2.763928420e+02 1.30 2.563970778e+02 2.563970778e+02 1.32 2.378686814e+02 2.378686814e+02 1.34 2.206934089e+02 2.206934089e+02 1.36 2.047657347e+02 2.047657347e+02 1.38 1.899887053e+02 1.899887053e+02 1.40 1.762734956e+02 1.762734956e+02 1.42 1.635382140e+02 1.635382140e+02 1.44 1.517068468e+02 1.517068468e+02 1.46 1.407092044e+02 1.407092044e+02 1.48 1.304812984e+02 1.304812984e+02 1.50 1.209650266e+02 1.209650266e+02 1.52 1.121071907e+02 1.121071907e+02 1.54 1.038585856e+02 1.038585856e+02 1.56 9.617373693e+01 9.617373693e+01 1.58 8.901121730e+01 8.901121730e+01 1.60 8.233382525e+01 8.233382525e+01 1.62 7.610824366e+01 7.610824366e+01 1.64 7.030432539e+01 7.030432539e+01 1.66 6.489433795e+01 6.489433795e+01 1.68 5.985239919e+01 5.985239919e+01 1.70 5.515430436e+01 5.515430436e+01 1.72 5.077747190e+01 5.077747190e+01 1.74 4.670089047e+01 4.670089047e+01 1.76 4.290490755e+01 4.290490755e+01 1.78 3.937097744e+01 3.937097744e+01 1.80 3.608141255e+01 3.608141255e+01 1.82 3.301928742e+01 3.301928742e+01 1.84 3.016833283e+01 3.016833283e+01 1.86 2.751306942e+01 2.751306942e+01 1.88 2.503901957e+01 2.503901957e+01 1.90 2.273294365e+01 2.273294365e+01 1.92 2.058295637e+01 2.058295637e+01 1.94 1.857917850e+01 1.857917850e+01 1.96 1.671217134e+01 1.671217134e+01 1.98 1.497316237e+01 1.497316237e+01 2.00 1.335406211e+01 1.335406211e+01 2.02 1.184731323e+01 1.184731323e+01 2.04 1.044589712e+01 1.044589712e+01 2.06 9.143179031e+00 9.143179031e+00 2.08 7.932810766e+00 7.932810766e+00 2.10 6.808700423e+00 6.808700423e+00 2.12 5.765046377e+00 5.765046377e+00 2.14 4.796388799e+00 4.796388799e+00 2.16 3.897677234e+00 3.897677234e+00 2.18 3.064279458e+00 3.064279458e+00 2.20 2.291946329e+00 2.291946329e+00 2.22 1.576717533e+00 1.576717533e+00 2.24 9.148486081e-01 9.148486081e-01 2.26 3.027819114e-01 3.027819114e-01 2.28 -2.628550755e-01 -2.628550755e-01 2.30 -7.851925857e-01 -7.851925857e-01 2.32 -1.267140217e+00 -1.267140217e+00 2.34 -1.711344561e+00 -1.711344561e+00 2.36 -2.120239893e+00 -2.120239893e+00 2.38 -2.496071148e+00 -2.496071148e+00 2.40 -2.840930591e+00 -2.840930591e+00 2.42 -3.156803689e+00 -3.156803689e+00 2.44 -3.445596575e+00 -3.445596575e+00 2.46 -3.709165175e+00 -3.709165175e+00 2.48 -3.949316830e+00 -3.949316830e+00 2.50 -4.167794864e+00 -4.167794864e+00 2.52 -4.366250863e+00 -4.366250863e+00 2.54 -4.546214112e+00 -4.546214112e+00 2.56 -4.709067720e+00 -4.709067720e+00 2.58 -4.856039320e+00 -4.856039320e+00 2.60 -4.988210052e+00 -4.988210052e+00 2.62 -5.106535429e+00 -5.106535429e+00 2.64 -5.211894430e+00 -5.211894430e+00 2.66 -5.305094163e+00 -5.305094163e+00 2.68 -5.386912961e+00 -5.386912961e+00 2.70 -5.458107897e+00 -5.458107897e+00 2.72 -5.519417012e+00 -5.519417012e+00 2.74 -5.571614314e+00 -5.571614314e+00 2.76 -5.615425317e+00 -5.615425317e+00 2.78 -5.651359656e+00 -5.651359656e+00 2.80 -5.679902241e+00 -5.679902241e+00 2.82 -5.701492472e+00 -5.701492472e+00 2.84 -5.716537871e+00 -5.716537871e+00 2.86 -5.725416906e+00 -5.725416906e+00 2.88 -5.728488238e+00 -5.728488238e+00 2.90 -5.726097340e+00 -5.726097340e+00 2.92 -5.718458804e+00 -5.718458804e+00 2.94 -5.705640255e+00 -5.705640255e+00 2.96 -5.687755764e+00 -5.687755764e+00 2.98 -5.664978371e+00 -5.664978371e+00 3.00 -5.637557506e+00 -5.637557506e+00 3.02 -5.605717228e+00 -5.605717228e+00 3.04 -5.569695899e+00 -5.569695899e+00 3.06 -5.529765940e+00 -5.529765940e+00 3.08 -5.486196347e+00 -5.486196347e+00 3.10 -5.439261366e+00 -5.439261366e+00 3.12 -5.389224987e+00 -5.389224987e+00 3.14 -5.336372075e+00 -5.336372075e+00 3.16 -5.281097010e+00 -5.281097010e+00 3.18 -5.223536360e+00 -5.223536360e+00 3.20 -5.163722309e+00 -5.163722309e+00 3.22 -5.101687444e+00 -5.101687444e+00 3.24 -5.037486296e+00 -5.037486296e+00 3.26 -4.971195144e+00 -4.971195144e+00 3.28 -4.902912837e+00 -4.902912837e+00 3.30 -4.832761065e+00 -4.832761065e+00 3.32 -4.760882443e+00 -4.760882443e+00 3.34 -4.687438604e+00 -4.687438604e+00 3.36 -4.612613633e+00 -4.612613633e+00 3.38 -4.536592520e+00 -4.536592520e+00 3.40 -4.459548654e+00 -4.459548654e+00 3.42 -4.381647205e+00 -4.381647205e+00 3.44 -4.303033939e+00 -4.303033939e+00 3.46 -4.223844940e+00 -4.223844940e+00 3.48 -4.144207643e+00 -4.144207643e+00 3.50 -4.064243846e+00 -4.064243846e+00 3.52 -3.984071769e+00 -3.984071769e+00 3.54 -3.903806772e+00 -3.903806772e+00 3.56 -3.823560689e+00 -3.823560689e+00 3.58 -3.743440108e+00 -3.743440108e+00 3.60 -3.663544127e+00 -3.663544127e+00 3.62 -3.583962228e+00 -3.583962228e+00 3.64 -3.504772892e+00 -3.504772892e+00 3.66 -3.426043386e+00 -3.426043386e+00 3.68 -3.347830923e+00 -3.347830923e+00 3.70 -3.270185111e+00 -3.270185111e+00 3.72 -3.193151442e+00 -3.193151442e+00 3.74 -3.116775433e+00 -3.116775433e+00 3.76 -3.041106955e+00 -3.041106955e+00 3.78 -2.966204225e+00 -2.966204225e+00 3.80 -2.892136886e+00 -2.892136886e+00 3.82 -2.818987578e+00 -2.818987578e+00 3.84 -2.746851464e+00 -2.746851464e+00 3.86 -2.675833396e+00 -2.675833396e+00 3.88 -2.606042807e+00 -2.606042807e+00 3.90 -2.537586857e+00 -2.537586857e+00 3.92 -2.470559497e+00 -2.470559497e+00 3.94 -2.405048471e+00 -2.405048471e+00 3.96 -2.341107714e+00 -2.341107714e+00 3.98 -2.278770167e+00 -2.278770167e+00 4.00 -2.218043450e+00 -2.218043450e+00 4.02 -2.158912104e+00 -2.158912104e+00 4.04 -2.101341516e+00 -2.101341516e+00 4.06 -2.045282666e+00 -2.045282666e+00 4.08 -1.990676943e+00 -1.990676943e+00 4.10 -1.937453034e+00 -1.937453034e+00 4.12 -1.885561602e+00 -1.885561602e+00 4.14 -1.834928885e+00 -1.834928885e+00 4.16 -1.785493120e+00 -1.785493120e+00 4.18 -1.737196603e+00 -1.737196603e+00 4.20 -1.689986456e+00 -1.689986456e+00 4.22 -1.643815085e+00 -1.643815085e+00 4.24 -1.598640461e+00 -1.598640461e+00 4.26 -1.554426337e+00 -1.554426337e+00 4.28 -1.511142432e+00 -1.511142432e+00 4.30 -1.468764603e+00 -1.468764603e+00 4.32 -1.427274977e+00 -1.427274977e+00 4.34 -1.386661987e+00 -1.386661987e+00 4.36 -1.346920222e+00 -1.346920222e+00 4.38 -1.308050030e+00 -1.308050030e+00 4.40 -1.270056811e+00 -1.270056811e+00 4.42 -1.232949972e+00 -1.232949972e+00 4.44 -1.196741561e+00 -1.196741561e+00 4.46 -1.161444689e+00 -1.161444689e+00 4.48 -1.127071837e+00 -1.127071837e+00 4.50 -1.093633218e+00 -1.093633218e+00 4.52 -1.061135350e+00 -1.061135350e+00 4.54 -1.029579977e+00 -1.029579977e+00 4.56 -9.989634023e-01 -9.989634023e-01 4.58 -9.692762779e-01 -9.692762779e-01 4.60 -9.405038032e-01 -9.405038032e-01 4.62 -9.126262616e-01 -9.126262616e-01 4.64 -8.856197908e-01 -8.856197908e-01 4.66 -8.594572808e-01 -8.594572808e-01 4.68 -8.341093039e-01 -8.341093039e-01 4.70 -8.095450008e-01 -8.095450008e-01 4.72 -7.857328723e-01 -7.857328723e-01 4.74 -7.626414505e-01 -7.626414505e-01 4.76 -7.402398405e-01 -7.402398405e-01 4.78 -7.184981399e-01 -7.184981399e-01 4.80 -6.973816298e-01 -6.973816298e-01 4.82 -6.768765129e-01 -6.768765129e-01 4.84 -6.569500569e-01 -6.569500569e-01 4.86 -6.375786636e-01 -6.375786636e-01 4.88 -6.187405427e-01 -6.187405427e-01 4.90 -6.004157187e-01 -6.004157187e-01 4.92 -5.825859940e-01 -5.825859940e-01 4.94 -5.652348684e-01 -5.652348684e-01 4.96 -5.483474063e-01 -5.483474063e-01 4.98 -5.319100494e-01 -5.319100494e-01 5.00 -5.159103724e-01 -5.159103724e-01 5.02 -5.003367899e-01 -5.003367899e-01 5.04 -4.851782289e-01 -4.851782289e-01 5.06 -4.704237896e-01 -4.704237896e-01 5.08 -4.560624241e-01 -4.560624241e-01 5.10 -4.420826637e-01 -4.420826637e-01 5.12 -4.284724213e-01 -4.284724213e-01 5.14 -4.152188898e-01 -4.152188898e-01 5.16 -4.023085453e-01 -4.023085453e-01 5.18 -3.897272545e-01 -3.897272545e-01 5.20 -3.774604753e-01 -3.774604753e-01 5.22 -3.654935341e-01 -3.654935341e-01 5.24 -3.538119596e-01 -3.538119596e-01 5.26 -3.424018517e-01 -3.424018517e-01 5.28 -3.312502645e-01 -3.312502645e-01 5.30 -3.203455832e-01 -3.203455832e-01 5.32 -3.096778740e-01 -3.096778740e-01 5.34 -2.992391853e-01 -2.992391853e-01 5.36 -2.890237767e-01 -2.890237767e-01 5.38 -2.790282532e-01 -2.790282532e-01 5.40 -2.692515798e-01 -2.692515798e-01 5.42 -2.596949619e-01 -2.596949619e-01 5.44 -2.503615796e-01 -2.503615796e-01 5.46 -2.412561832e-01 -2.412561832e-01 5.48 -2.323845675e-01 -2.323845675e-01 5.50 -2.237529643e-01 -2.237529643e-01 5.52 -2.153674024e-01 -2.153674024e-01 5.54 -2.072330932e-01 -2.072330932e-01 5.56 -1.993539020e-01 -1.993539020e-01 5.58 -1.917319528e-01 -1.917319528e-01 5.60 -1.843673994e-01 -1.843673994e-01 5.62 -1.772583741e-01 -1.772583741e-01 5.64 -1.704011035e-01 -1.704011035e-01 5.66 -1.637901597e-01 -1.637901597e-01 5.68 -1.574188055e-01 -1.574188055e-01 5.70 -1.512793811e-01 -1.512793811e-01 5.72 -1.453636847e-01 -1.453636847e-01 5.74 -1.396633071e-01 -1.396633071e-01 5.76 -1.341698863e-01 -1.341698863e-01 5.78 -1.288752685e-01 -1.288752685e-01 5.80 -1.237715698e-01 -1.237715698e-01 5.82 -1.188511336e-01 -1.188511336e-01 5.84 -1.141062050e-01 -1.141062050e-01 5.86 -1.095293760e-01 -1.095293760e-01 5.88 -1.051131979e-01 -1.051131979e-01 5.90 -1.008499144e-01 -1.008499144e-01 5.92 -9.673137543e-02 -9.673137543e-02 5.94 -9.274900076e-02 -9.274900076e-02 5.96 -8.889380172e-02 -8.889380172e-02 5.98 -8.515646166e-02 -8.515646166e-02 6.00 -8.152746929e-02 -8.152746929e-02