# 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 = Pd2PtTa # 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 4.080299221e+02 4.080299221e+02 1.30 3.802938423e+02 3.802938423e+02 1.32 3.544565625e+02 3.544565625e+02 1.34 3.303695175e+02 3.303695175e+02 1.36 3.078946492e+02 3.078946492e+02 1.38 2.869036520e+02 2.869036520e+02 1.40 2.672795273e+02 2.672795273e+02 1.42 2.489189212e+02 2.489189212e+02 1.44 2.317328244e+02 2.317328244e+02 1.46 2.156453133e+02 2.156453133e+02 1.48 2.005911862e+02 2.005911862e+02 1.50 1.865125204e+02 1.865125204e+02 1.52 1.733541929e+02 1.733541929e+02 1.54 1.610599652e+02 1.610599652e+02 1.56 1.495711967e+02 1.495711967e+02 1.58 1.388284316e+02 1.388284316e+02 1.60 1.287741337e+02 1.287741337e+02 1.62 1.193546784e+02 1.193546784e+02 1.64 1.105209868e+02 1.105209868e+02 1.66 1.022284185e+02 1.022284185e+02 1.68 9.443672920e+01 9.443672920e+01 1.70 8.711019359e+01 8.711019359e+01 1.72 8.021736058e+01 8.021736058e+01 1.74 7.373003569e+01 7.373003569e+01 1.76 6.762182086e+01 6.762182086e+01 1.78 6.186881287e+01 6.186881287e+01 1.80 5.644912055e+01 5.644912055e+01 1.82 5.134765522e+01 5.134765522e+01 1.84 4.659811761e+01 4.659811761e+01 1.86 4.220375014e+01 4.220375014e+01 1.88 3.814097059e+01 3.814097059e+01 1.90 3.438807087e+01 3.438807087e+01 1.92 3.092549478e+01 3.092549478e+01 1.94 2.773503613e+01 2.773503613e+01 1.96 2.479924442e+01 2.479924442e+01 1.98 2.210108552e+01 2.210108552e+01 2.00 1.962384012e+01 1.962384012e+01 2.02 1.735117329e+01 1.735117329e+01 2.04 1.526729479e+01 1.526729479e+01 2.06 1.335714379e+01 1.335714379e+01 2.08 1.160655123e+01 1.160655123e+01 2.10 1.000234940e+01 1.000234940e+01 2.12 8.532417966e+00 8.532417966e+00 2.14 7.185677263e+00 7.185677263e+00 2.16 5.952050957e+00 5.952050957e+00 2.18 4.822415955e+00 4.822415955e+00 2.20 3.788544122e+00 3.788544122e+00 2.22 2.843032287e+00 2.843032287e+00 2.24 1.979217804e+00 1.979217804e+00 2.26 1.191082485e+00 1.191082485e+00 2.28 4.731519272e-01 4.731519272e-01 2.30 -1.796014692e-01 -1.796014692e-01 2.32 -7.718442542e-01 -7.718442542e-01 2.34 -1.307950657e+00 -1.307950657e+00 2.36 -1.792051187e+00 -1.792051187e+00 2.38 -2.228061508e+00 -2.228061508e+00 2.40 -2.619695610e+00 -2.619695610e+00 2.42 -2.970469852e+00 -2.970469852e+00 2.44 -3.283697507e+00 -3.283697507e+00 2.46 -3.562382749e+00 -3.562382749e+00 2.48 -3.809572222e+00 -3.809572222e+00 2.50 -4.028188321e+00 -4.028188321e+00 2.52 -4.220935090e+00 -4.220935090e+00 2.54 -4.390298394e+00 -4.390298394e+00 2.56 -4.538608250e+00 -4.538608250e+00 2.58 -4.669036969e+00 -4.669036969e+00 2.60 -4.783310564e+00 -4.783310564e+00 2.62 -4.882344115e+00 -4.882344115e+00 2.64 -4.966970115e+00 -4.966970115e+00 2.66 -5.037951447e+00 -5.037951447e+00 2.68 -5.095986078e+00 -5.095986078e+00 2.70 -5.141718071e+00 -5.141718071e+00 2.72 -5.175749117e+00 -5.175749117e+00 2.74 -5.198647761e+00 -5.198647761e+00 2.76 -5.210955995e+00 -5.210955995e+00 2.78 -5.213194332e+00 -5.213194332e+00 2.80 -5.205866984e+00 -5.205866984e+00 2.82 -5.189468539e+00 -5.189468539e+00 2.84 -5.164492945e+00 -5.164492945e+00 2.86 -5.131444583e+00 -5.131444583e+00 2.88 -5.090928798e+00 -5.090928798e+00 2.90 -5.044007402e+00 -5.044007402e+00 2.92 -4.991147298e+00 -4.991147298e+00 2.94 -4.932753539e+00 -4.932753539e+00 2.96 -4.869297720e+00 -4.869297720e+00 2.98 -4.801293892e+00 -4.801293892e+00 3.00 -4.729268071e+00 -4.729268071e+00 3.02 -4.653725987e+00 -4.653725987e+00 3.04 -4.575124808e+00 -4.575124808e+00 3.06 -4.493854458e+00 -4.493854458e+00 3.08 -4.410255958e+00 -4.410255958e+00 3.10 -4.324634844e+00 -4.324634844e+00 3.12 -4.237226757e+00 -4.237226757e+00 3.14 -4.148213283e+00 -4.148213283e+00 3.16 -4.057743263e+00 -4.057743263e+00 3.18 -3.965952784e+00 -3.965952784e+00 3.20 -3.872982235e+00 -3.872982235e+00 3.22 -3.778989605e+00 -3.778989605e+00 3.24 -3.684159595e+00 -3.684159595e+00 3.26 -3.588708261e+00 -3.588708261e+00 3.28 -3.492900086e+00 -3.492900086e+00 3.30 -3.397192245e+00 -3.397192245e+00 3.32 -3.302111886e+00 -3.302111886e+00 3.34 -3.208125843e+00 -3.208125843e+00 3.36 -3.115627724e+00 -3.115627724e+00 3.38 -3.024929330e+00 -3.024929330e+00 3.40 -2.936256650e+00 -2.936256650e+00 3.42 -2.849751116e+00 -2.849751116e+00 3.44 -2.765475797e+00 -2.765475797e+00 3.46 -2.683425460e+00 -2.683425460e+00 3.48 -2.603538990e+00 -2.603538990e+00 3.50 -2.525712698e+00 -2.525712698e+00 3.52 -2.449813257e+00 -2.449813257e+00 3.54 -2.375689435e+00 -2.375689435e+00 3.56 -2.303182191e+00 -2.303182191e+00 3.58 -2.232133064e+00 -2.232133064e+00 3.60 -2.162390992e+00 -2.162390992e+00 3.62 -2.093817840e+00 -2.093817840e+00 3.64 -2.026292905e+00 -2.026292905e+00 3.66 -1.959716615e+00 -1.959716615e+00 3.68 -1.894013548e+00 -1.894013548e+00 3.70 -1.829134742e+00 -1.829134742e+00 3.72 -1.765059199e+00 -1.765059199e+00 3.74 -1.701794352e+00 -1.701794352e+00 3.76 -1.639375285e+00 -1.639375285e+00 3.78 -1.577862499e+00 -1.577862499e+00 3.80 -1.517338132e+00 -1.517338132e+00 3.82 -1.457900708e+00 -1.457900708e+00 3.84 -1.399658700e+00 -1.399658700e+00 3.86 -1.342723347e+00 -1.342723347e+00 3.88 -1.287201369e+00 -1.287201369e+00 3.90 -1.233188235e+00 -1.233188235e+00 3.92 -1.180762647e+00 -1.180762647e+00 3.94 -1.129982750e+00 -1.129982750e+00 3.96 -1.080884359e+00 -1.080884359e+00 3.98 -1.033481301e+00 -1.033481301e+00 4.00 -9.877676754e-01 -9.877676754e-01 4.02 -9.437216520e-01 -9.437216520e-01 4.04 -9.013102946e-01 -9.013102946e-01 4.06 -8.604947929e-01 -8.604947929e-01 4.08 -8.212354921e-01 -8.212354921e-01 4.10 -7.834961534e-01 -7.834961534e-01 4.12 -7.472470146e-01 -7.472470146e-01 4.14 -7.124663022e-01 -7.124663022e-01 4.16 -6.791401619e-01 -6.791401619e-01 4.18 -6.472610480e-01 -6.472610480e-01 4.20 -6.168248809e-01 -6.168248809e-01 4.22 -5.878274102e-01 -5.878274102e-01 4.24 -5.602603129e-01 -5.602603129e-01 4.26 -5.341075691e-01 -5.341075691e-01 4.28 -5.093425810e-01 -5.093425810e-01 4.30 -4.859263634e-01 -4.859263634e-01 4.32 -4.638069462e-01 -4.638069462e-01 4.34 -4.429199472e-01 -4.429199472e-01 4.36 -4.231901208e-01 -4.231901208e-01 4.38 -4.045335911e-01 -4.045335911e-01 4.40 -3.868604519e-01 -3.868604519e-01 4.42 -3.700774417e-01 -3.700774417e-01 4.44 -3.540904662e-01 -3.540904662e-01 4.46 -3.388068258e-01 -3.388068258e-01 4.48 -3.241370825e-01 -3.241370825e-01 4.50 -3.099965666e-01 -3.099965666e-01 4.52 -2.963065680e-01 -2.963065680e-01 4.54 -2.829952802e-01 -2.829952802e-01 4.56 -2.699985683e-01 -2.699985683e-01 4.58 -2.572606271e-01 -2.572606271e-01 4.60 -2.447345704e-01 -2.447345704e-01 4.62 -2.323829736e-01 -2.323829736e-01 4.64 -2.201783588e-01 -2.201783588e-01 4.66 -2.081035885e-01 -2.081035885e-01 4.68 -1.961521115e-01 -1.961521115e-01 4.70 -1.843279870e-01 -1.843279870e-01 4.72 -1.726456132e-01 -1.726456132e-01 4.74 -1.611290903e-01 -1.611290903e-01 4.76 -1.498111725e-01 -1.498111725e-01 4.78 -1.387317959e-01 -1.387317959e-01 4.80 -1.279362090e-01 -1.279362090e-01 4.82 -1.174727858e-01 -1.174727858e-01 4.84 -1.073906238e-01 -1.073906238e-01 4.86 -9.773709405e-02 -9.773709405e-02 4.88 -8.855549519e-02 -8.855549519e-02 4.90 -7.988297467e-02 -7.988297467e-02 4.92 -7.174887518e-02 -7.174887518e-02 4.94 -6.417359230e-02 -6.417359230e-02 4.96 -5.716802445e-02 -5.716802445e-02 4.98 -5.073356688e-02 -5.073356688e-02 5.00 -4.486262178e-02 -4.486262178e-02 5.02 -3.953953177e-02 -3.953953177e-02 5.04 -3.474215870e-02 -3.474215870e-02 5.06 -3.044268001e-02 -3.044268001e-02 5.08 -2.660891635e-02 -2.660891635e-02 5.10 -2.320633575e-02 -2.320633575e-02 5.12 -2.019923860e-02 -2.019923860e-02 5.14 -1.755180905e-02 -1.755180905e-02 5.16 -1.522895336e-02 -1.522895336e-02 5.18 -1.319682723e-02 -1.319682723e-02 5.20 -1.142381374e-02 -1.142381374e-02 5.22 -9.880520323e-03 -9.880520323e-03 5.24 -8.539896632e-03 -8.539896632e-03 5.26 -7.377322431e-03 -7.377322431e-03 5.28 -6.370598445e-03 -6.370598445e-03 5.30 -5.499866792e-03 -5.499866792e-03 5.32 -4.747483500e-03 -4.747483500e-03 5.34 -4.097861242e-03 -4.097861242e-03 5.36 -3.537296393e-03 -3.537296393e-03 5.38 -3.053790900e-03 -3.053790900e-03 5.40 -2.636876506e-03 -2.636876506e-03 5.42 -2.277446431e-03 -2.277446431e-03 5.44 -1.967597756e-03 -1.967597756e-03 5.46 -1.700486320e-03 -1.700486320e-03 5.48 -1.470194919e-03 -1.470194919e-03 5.50 -1.271614865e-03 -1.271614865e-03 5.52 -1.100340467e-03 -1.100340467e-03 5.54 -9.525756897e-04 -9.525756897e-04 5.56 -8.250520590e-04 -8.250520590e-04 5.58 -7.149568113e-04 -7.149568113e-04 5.60 -6.198702539e-04 -6.198702539e-04 5.62 -5.377113373e-04 -5.377113373e-04 5.64 -4.666904900e-04 -4.666904900e-04 5.66 -4.052688399e-04 -4.052688399e-04 5.68 -3.521230212e-04 -3.521230212e-04 5.70 -3.061148488e-04 -3.061148488e-04 5.72 -2.662652178e-04 -2.662652178e-04 5.74 -2.317316610e-04 -2.317316610e-04 5.76 -2.017890674e-04 -2.017890674e-04 5.78 -1.758131247e-04 -1.758131247e-04 5.80 -1.532661083e-04 -1.532661083e-04 5.82 -1.336846862e-04 -1.336846862e-04 5.84 -1.166694568e-04 -1.166694568e-04 5.86 -1.018759735e-04 -1.018759735e-04 5.88 -8.900704413e-05 -8.900704413e-05 5.90 -7.780612474e-05 -7.780612474e-05 5.92 -6.805164974e-05 -6.805164974e-05 5.94 -5.955216594e-05 -5.955216594e-05 5.96 -5.214215458e-05 -5.214215458e-05 5.98 -4.567844340e-05 -4.567844340e-05 6.00 -4.003712411e-05 -4.003712411e-05