# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Pd3Pt # 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 2026-08-31 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 3.074855410e+06 nan nan 0.80 2.791351952e+06 nan nan 0.82 2.535466833e+06 nan nan 0.84 2.303960215e+06 nan nan 0.86 2.094048084e+06 2.954447948e+06 nan 0.88 1.903330553e+06 2.704289482e+06 3.018369620e+06 0.90 1.729710532e+06 2.476399230e+06 2.769525939e+06 0.92 1.571352868e+06 2.268399855e+06 2.542338217e+06 0.94 1.426657182e+06 2.078198894e+06 2.334550436e+06 0.96 1.294224705e+06 1.903950462e+06 2.144155159e+06 0.98 1.172812002e+06 1.744069812e+06 1.969406839e+06 1.00 1.061330802e+06 1.597150275e+06 1.808761475e+06 1.02 9.588102595e+05 1.461951925e+06 1.660879474e+06 1.04 8.644023718e+05 1.337337190e+06 1.524555597e+06 1.06 7.773445207e+05 1.222311107e+06 1.398684858e+06 1.08 6.969634594e+05 1.116005796e+06 1.282313938e+06 1.10 6.226402261e+05 1.017621060e+06 1.174570935e+06 1.12 5.538391669e+05 9.264590960e+05 1.074702432e+06 1.14 4.900736884e+05 8.418944368e+05 9.820249498e+05 1.16 4.309195743e+05 7.633492433e+05 8.959266607e+05 1.18 3.759862030e+05 6.903243243e+05 8.158585640e+05 1.20 3.249191989e+05 6.223720179e+05 7.413146374e+05 1.22 2.774044036e+05 5.590819519e+05 6.718490564e+05 1.24 2.331473474e+05 5.000621361e+05 6.070546751e+05 1.26 1.918824775e+05 4.449736323e+05 5.465459074e+05 1.28 1.536195606e+05 3.935072994e+05 4.899908029e+05 1.30 1.207265182e+05 3.453881129e+05 4.370871185e+05 1.32 9.423412825e+04 3.003509723e+05 3.875543317e+05 1.34 7.364714977e+04 2.581601948e+05 3.411370473e+05 1.36 5.762528829e+04 2.186103164e+05 2.976103838e+05 1.38 4.513711396e+04 1.815123432e+05 2.567672713e+05 1.40 3.538744329e+04 1.472426384e+05 2.184137672e+05 1.42 2.776644091e+04 1.178304102e+05 1.823660868e+05 1.44 2.180308850e+04 9.386400335e+04 1.488446080e+05 1.46 1.713226280e+04 7.485081087e+04 1.198130633e+05 1.48 1.346993048e+04 5.974797988e+04 9.606071302e+04 1.50 1.059494778e+04 4.773553768e+04 7.709755284e+04 1.52 8.336247370e+03 3.817013804e+04 6.193117518e+04 1.54 6.560732407e+03 3.054549573e+04 4.978774402e+04 1.56 5.164346409e+03 2.446151129e+04 4.005488426e+04 1.58 4.065607270e+03 1.960072058e+04 3.224579393e+04 1.60 3.200700156e+03 1.571222138e+04 2.597456156e+04 1.62 2.519473019e+03 1.259930290e+04 2.093436327e+04 1.64 1.982737809e+03 1.010592291e+04 1.687979742e+04 1.66 1.559800238e+03 8.107731645e+03 1.361564908e+04 1.68 1.226558173e+03 6.505573510e+03 1.098632323e+04 1.70 9.640325791e+02 5.220481360e+03 8.867247138e+03 1.72 7.572634148e+02 4.189405018e+03 7.158382312e+03 1.74 5.944545950e+02 3.361935350e+03 5.779601082e+03 1.76 4.662843449e+02 2.697740554e+03 4.666771694e+03 1.78 3.654056329e+02 2.164529854e+03 3.768353645e+03 1.80 2.860348422e+02 1.736381722e+03 3.042783757e+03 1.82 2.236159264e+02 1.392444440e+03 2.456466143e+03 1.84 1.745582190e+02 1.116169841e+03 1.982635478e+03 1.86 1.360259131e+02 8.942859582e+02 1.599725182e+03 1.88 1.057796896e+02 7.161247942e+02 1.290315483e+03 1.90 8.205186642e+01 5.731080379e+02 1.040329992e+03 1.92 6.344599835e+01 4.583185528e+02 8.383831177e+02 1.94 4.886218292e+01 3.662036144e+02 6.752732658e+02 1.96 3.743574843e+01 2.923158654e+02 5.435664847e+02 1.98 2.848478960e+01 2.330779466e+02 4.372497954e+02 2.00 2.147311051e+01 1.856097124e+02 3.514579105e+02 2.02 1.597738566e+01 1.475927774e+02 2.822539975e+02 2.04 1.166866751e+01 1.171614185e+02 2.264379830e+02 2.06 8.289243367e+00 9.281467519e+01 1.814057653e+02 2.08 5.636689187e+00 7.334526055e+01 1.450931558e+02 2.10 3.552232041e+00 5.777676034e+01 1.158311212e+02 2.12 1.911549340e+00 4.533082542e+01 9.226632565e+01 2.14 6.174676792e-01 3.538479162e+01 7.330185196e+01 2.16 -4.058255056e-01 2.743576170e+01 5.804909982e+01 2.18 -1.217366110e+00 2.108442850e+01 4.578866474e+01 2.20 -1.863039515e+00 1.601087873e+01 3.593836977e+01 2.22 -2.378445066e+00 1.195826499e+01 2.802718963e+01 2.24 -2.791155427e+00 8.720587267e+00 2.167512763e+01 2.26 -3.122495616e+00 6.132840163e+00 1.657592655e+01 2.28 -3.388941150e+00 4.063036511e+00 1.248261014e+01 2.30 -3.603201489e+00 2.405753634e+00 9.196185335e+00 2.32 -3.775063904e+00 1.076915102e+00 6.556508075e+00 2.34 -3.912120336e+00 9.559800865e-03 4.434859650e+00 2.36 -4.020246408e+00 -8.495348042e-01 2.727916392e+00 2.38 -4.103990153e+00 -1.542580935e+00 1.352853985e+00 2.40 -4.166921268e+00 -2.103007486e+00 2.433695036e-01 2.42 -4.211842119e+00 -2.557271371e+00 -6.537802485e-01 2.44 -4.241007012e+00 -2.926280088e+00 -1.380765298e+00 2.46 -4.256268796e+00 -3.226533663e+00 -1.971039873e+00 2.48 -4.259159970e+00 -3.471040089e+00 -2.451282356e+00 2.50 -4.250971775e+00 -3.670047832e+00 -2.842741907e+00 2.52 -4.232813714e+00 -3.831630766e+00 -3.162319394e+00 2.54 -4.205657970e+00 -3.962154202e+00 -3.423440927e+00 2.56 -4.170372220e+00 -4.066645259e+00 -3.636762581e+00 2.58 -4.127743633e+00 -4.149086394e+00 -3.810737880e+00 2.60 -4.078496172e+00 -4.212647320e+00 -3.952073851e+00 2.62 -4.023302900e+00 -4.259867614e+00 -4.066096677e+00 2.64 -3.962794565e+00 -4.292799959e+00 -4.157044166e+00 2.66 -3.897565479e+00 -4.313122029e+00 -4.228299024e+00 2.68 -3.828177442e+00 -4.322223470e+00 -4.282574359e+00 2.70 -3.755126639e+00 -4.321243951e+00 -4.322021217e+00 2.72 -3.678876052e+00 -4.311148492e+00 -4.348378231e+00 2.74 -3.599890934e+00 -4.292796211e+00 -4.363102239e+00 2.76 -3.518618093e+00 -4.266953159e+00 -4.367412735e+00 2.78 -3.435478833e+00 -4.234308421e+00 -4.362341751e+00 2.80 -3.350868911e+00 -4.195490306e+00 -4.348776332e+00 2.82 -3.265158848e+00 -4.150965314e+00 -4.327491546e+00 2.84 -3.178694279e+00 -4.101159962e+00 -4.299175756e+00 2.86 -3.091796371e+00 -4.046545928e+00 -4.264449818e+00 2.88 -3.004701641e+00 -3.987589350e+00 -4.223881526e+00 2.90 -2.917534411e+00 -3.924732881e+00 -4.177996351e+00 2.92 -2.830539182e+00 -3.858396851e+00 -4.127285334e+00 2.94 -2.743946258e+00 -3.788980886e+00 -4.072210794e+00 2.96 -2.657965622e+00 -3.716865010e+00 -4.013210385e+00 2.98 -2.572783161e+00 -3.642410376e+00 -3.950699923e+00 3.00 -2.488512638e+00 -3.565959754e+00 -3.885075295e+00 3.02 -2.405276638e+00 -3.487837876e+00 -3.816713732e+00 3.04 -2.323196470e+00 -3.408351693e+00 -3.745974610e+00 3.06 -2.242392988e+00 -3.327790607e+00 -3.673199947e+00 3.08 -2.162972595e+00 -3.246426694e+00 -3.598714708e+00 3.10 -2.085028104e+00 -3.164514961e+00 -3.522817621e+00 3.12 -2.008639609e+00 -3.082293633e+00 -3.445618628e+00 3.14 -1.933865778e+00 -2.999984487e+00 -3.367302821e+00 3.16 -1.860745935e+00 -2.917793239e+00 -3.288095598e+00 3.18 -1.789326974e+00 -2.835909970e+00 -3.208232123e+00 3.20 -1.719646887e+00 -2.754509602e+00 -3.127933411e+00 3.22 -1.651735080e+00 -2.673752412e+00 -3.047406035e+00 3.24 -1.585613078e+00 -2.593784577e+00 -2.966842453e+00 3.26 -1.521295201e+00 -2.514738752e+00 -2.886421369e+00 3.28 -1.458789198e+00 -2.436734667e+00 -2.806308130e+00 3.30 -1.398096855e+00 -2.359823040e+00 -2.726655144e+00 3.32 -1.339214560e+00 -2.284011272e+00 -2.647602338e+00 3.34 -1.282133845e+00 -2.209360642e+00 -2.569277626e+00 3.36 -1.226841879e+00 -2.135940756e+00 -2.491797404e+00 3.38 -1.173321945e+00 -2.063818870e+00 -2.415267054e+00 3.40 -1.121553875e+00 -1.993053426e+00 -2.339781459e+00 3.42 -1.071514456e+00 -1.923694606e+00 -2.265425524e+00 3.44 -1.023177809e+00 -1.855784867e+00 -2.192274698e+00 3.46 -9.765157379e-01 -1.789359473e+00 -2.120395496e+00 3.48 -9.314980521e-01 -1.724446995e+00 -2.049846011e+00 3.50 -8.880928628e-01 -1.661069805e+00 -1.980676426e+00 3.52 -8.462668562e-01 -1.599244545e+00 -1.912929508e+00 3.54 -8.059855428e-01 -1.538982578e+00 -1.846641095e+00 3.56 -7.672134858e-01 -1.480290416e+00 -1.781840566e+00 3.58 -7.299145088e-01 -1.423170132e+00 -1.718551300e+00 3.60 -6.940518845e-01 -1.367619744e+00 -1.656791111e+00 3.62 -6.595885056e-01 -1.313633587e+00 -1.596572672e+00 3.64 -6.264870398e-01 -1.261202656e+00 -1.537903921e+00 3.66 -5.947100680e-01 -1.210314934e+00 -1.480788442e+00 3.68 -5.642202094e-01 -1.160955700e+00 -1.425225836e+00 3.70 -5.349802329e-01 -1.113107814e+00 -1.371212067e+00 3.72 -5.069531558e-01 -1.066751987e+00 -1.318739792e+00 3.74 -4.801023316e-01 -1.021867032e+00 -1.267798673e+00 3.76 -4.543915274e-01 -9.784300957e-01 -1.218375669e+00 3.78 -4.297849912e-01 -9.364168789e-01 -1.170455313e+00 3.80 -4.062475111e-01 -8.958018336e-01 -1.124011625e+00 3.82 -3.837444652e-01 -8.565583504e-01 -1.078974868e+00 3.84 -3.622418656e-01 -8.186589302e-01 -1.035312464e+00 3.86 -3.417063946e-01 -7.820753414e-01 -9.929915541e-01 3.88 -3.221054349e-01 -7.467787651e-01 -9.519901619e-01 3.90 -3.034070950e-01 -7.127399277e-01 -9.122858599e-01 3.92 -2.855802280e-01 -6.799292226e-01 -8.738552540e-01 3.94 -2.685944478e-01 -6.483168203e-01 -8.366741306e-01 3.96 -2.524201392e-01 -6.178727696e-01 -8.007175917e-01 3.98 -2.370284661e-01 -5.885670879e-01 -7.659601800e-01 4.00 -2.223913747e-01 -5.603698443e-01 -7.323759938e-01 4.02 -2.084815954e-01 -5.332512333e-01 -6.999387924e-01 4.04 -1.952726405e-01 -5.071816412e-01 -6.686220927e-01 4.06 -1.827388007e-01 -4.821317058e-01 -6.383992574e-01 4.08 -1.708551387e-01 -4.580723689e-01 -6.092435754e-01 4.10 -1.595974819e-01 -4.349749234e-01 -5.811283347e-01 4.12 -1.489424128e-01 -4.128110539e-01 -5.540268885e-01 4.14 -1.388672578e-01 -3.915528731e-01 -5.279127149e-01 4.16 -1.293500760e-01 -3.711729523e-01 -5.027594704e-01 4.18 -1.203696453e-01 -3.516443487e-01 -4.785410382e-01 4.20 -1.119054495e-01 -3.329406277e-01 -4.552315707e-01 4.22 -1.039376629e-01 -3.150358821e-01 -4.328055281e-01 4.24 -9.644713574e-02 -2.979047475e-01 -4.112377114e-01 4.26 -8.941537832e-02 -2.815224148e-01 -3.905032923e-01 4.28 -8.282454501e-02 -2.658646400e-01 -3.705778387e-01 4.30 -7.665741806e-02 -2.509077515e-01 -3.514373366e-01 4.32 -7.089739116e-02 -2.366286545e-01 -3.330582096e-01 4.34 -6.552845287e-02 -2.230048340e-01 -3.154173340e-01 4.36 -6.053517004e-02 -2.100143557e-01 -2.984920526e-01 4.38 -5.590141555e-02 -1.976358652e-01 -2.822601853e-01 4.40 -5.156290490e-02 -1.858485853e-01 -2.667000373e-01 4.42 -4.748237843e-02 -1.746323128e-01 -2.517904054e-01 4.44 -4.364979177e-02 -1.639674131e-01 -2.375105827e-01 4.46 -4.005546748e-02 -1.538348147e-01 -2.238403614e-01 4.48 -3.669008384e-02 -1.442160019e-01 -2.107600333e-01 4.50 -3.354454175e-02 -1.350930073e-01 -1.982503904e-01 4.52 -3.060986301e-02 -1.264484033e-01 -1.862927226e-01 4.54 -2.787802192e-02 -1.182652929e-01 -1.748688158e-01 4.56 -2.534123765e-02 -1.105273005e-01 -1.639609476e-01 4.58 -2.299192430e-02 -1.032185616e-01 -1.535518831e-01 4.60 -2.082271140e-02 -9.632371231e-02 -1.436248696e-01 4.62 -1.882645824e-02 -8.982787899e-02 -1.341636302e-01 4.64 -1.699626307e-02 -8.371666713e-02 -1.251523573e-01 4.66 -1.532543217e-02 -7.794898379e-02 -1.165757055e-01 4.68 -1.380741077e-02 -7.247411218e-02 -1.084187836e-01 4.70 -1.243608866e-02 -6.727909694e-02 -1.006671467e-01 4.72 -1.120560411e-02 -6.234845146e-02 -9.330678800e-02 4.74 -1.011031403e-02 -5.767251273e-02 -8.632412956e-02 4.76 -9.144791394e-03 -5.324220442e-02 -7.970601380e-02 4.78 -8.303821117e-03 -4.904875199e-02 -7.343969423e-02 4.80 -7.579766376e-03 -4.508367384e-02 -6.751282619e-02 4.82 -6.925357488e-03 -4.133877315e-02 -6.191345755e-02 4.84 -6.322981980e-03 -3.780613047e-02 -5.663001925e-02 4.86 -5.762172459e-03 -3.447809368e-02 -5.165131587e-02 4.88 -5.234722009e-03 -3.134727151e-02 -4.696651631e-02 4.90 -4.739427501e-03 -2.840652593e-02 -4.256514466e-02 4.92 -4.275127045e-03 -2.564895259e-02 -3.843707005e-02 4.94 -3.840698894e-03 -2.306774324e-02 -3.457249648e-02 4.96 -3.435060335e-03 -2.065644822e-02 -3.096195448e-02 4.98 -3.057166578e-03 -1.840861004e-02 -2.759629267e-02 5.00 -2.706009626e-03 -1.631845866e-02 -2.446666821e-02 5.02 -2.380617170e-03 -1.438044289e-02 -2.156427243e-02 5.04 -2.080051469e-03 -1.258913703e-02 -1.888051583e-02 5.06 -1.803408265e-03 -1.093925186e-02 -1.640765574e-02 5.08 -1.549815691e-03 -9.425642693e-03 -1.413836326e-02 5.10 -1.318433216e-03 -8.043315070e-03 -1.206543434e-02 5.12 -1.108450597e-03 -6.787428366e-03 -1.018181656e-02 5.14 -9.190868585e-04 -5.653297739e-03 -8.480629638e-03 5.16 -7.495892973e-04 -4.636394634e-03 -6.955180587e-03 5.18 -5.992325059e-04 -3.732346117e-03 -5.598974496e-03 5.20 -4.673174256e-04 -2.936933254e-03 -4.405721545e-03 5.22 -3.531704240e-04 -2.246088703e-03 -3.369340949e-03 5.24 -2.561423986e-04 -1.655893691e-03 -2.483962350e-03 5.26 -1.756079064e-04 -1.162574498e-03 -1.743925132e-03 5.28 -1.109643206e-04 -7.624985654e-04 -1.143776043e-03 5.30 -6.163101275e-05 -4.521703303e-04 -6.782654818e-04 5.32 -2.704856089e-05 -2.282268579e-04 -3.423427141e-04 5.34 -6.677983783e-06 -8.743334726e-05 -1.311502904e-04 5.36 8.221466099e-11 -2.667814293e-05 -4.001721439e-05 5.38 0.000000000e+00 -9.461996776e-06 -1.419299516e-05 5.40 0.000000000e+00 -1.035871184e-06 -1.553806776e-06 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00