# 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 = PbPt3 # 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 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 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 5.140878887e+02 nan nan 1.16 4.785712386e+02 nan nan 1.18 4.455624585e+02 nan nan 1.20 4.148461422e+02 nan nan 1.22 3.862444941e+02 nan nan 1.24 3.596040429e+02 nan nan 1.26 3.347845130e+02 nan nan 1.28 3.116446411e+02 4.560401517e+02 5.129702356e+02 1.30 2.900413769e+02 4.271181228e+02 4.812173196e+02 1.32 2.698469082e+02 4.000344512e+02 4.514518950e+02 1.34 2.509607601e+02 3.746535707e+02 4.235135461e+02 1.36 2.333013700e+02 3.508440489e+02 3.972817487e+02 1.38 2.167892942e+02 3.284839534e+02 3.726641959e+02 1.40 2.013414053e+02 3.074705807e+02 3.495740011e+02 1.42 1.868771598e+02 2.877268043e+02 3.279173026e+02 1.44 1.733244295e+02 2.691944081e+02 3.075944421e+02 1.46 1.606179747e+02 2.518171836e+02 2.885055424e+02 1.48 1.486938459e+02 2.355284089e+02 2.705555476e+02 1.50 1.374864642e+02 2.202506157e+02 2.536570942e+02 1.52 1.269312634e+02 2.059017941e+02 2.377316166e+02 1.54 1.169705510e+02 1.924008433e+02 2.227100129e+02 1.56 1.075587547e+02 1.796715221e+02 2.085322055e+02 1.58 9.866395490e+01 1.676463456e+02 1.951451264e+02 1.60 9.026433377e+01 1.562698480e+02 1.825010099e+02 1.62 8.234134698e+01 1.454992246e+02 1.705571352e+02 1.64 7.488459195e+01 1.353012966e+02 1.592751061e+02 1.66 6.801917928e+01 1.256473023e+02 1.486180700e+02 1.68 6.174143078e+01 1.165090798e+02 1.385477351e+02 1.70 5.599555752e+01 1.078586613e+02 1.290237900e+02 1.72 5.073297392e+01 9.966979331e+01 1.200055247e+02 1.74 4.591241021e+01 9.191825007e+01 1.114538569e+02 1.76 4.149845615e+01 8.458006767e+01 1.033327748e+02 1.78 3.745961541e+01 7.762949688e+01 9.561070170e+01 1.80 3.376661901e+01 7.110944696e+01 8.826211838e+01 1.82 3.039132476e+01 6.508845126e+01 8.126883952e+01 1.84 2.730630849e+01 5.952320369e+01 7.462875923e+01 1.86 2.448514871e+01 5.437580240e+01 6.845785074e+01 1.88 2.190305248e+01 4.961568440e+01 6.276920487e+01 1.90 1.953743256e+01 4.521805741e+01 5.752923556e+01 1.92 1.736819785e+01 4.116152233e+01 5.270194433e+01 1.94 1.537772756e+01 3.742573053e+01 4.825115701e+01 1.96 1.355066637e+01 3.398983496e+01 4.414287589e+01 1.98 1.187364337e+01 3.083199595e+01 4.034658110e+01 2.00 1.033498935e+01 2.792980955e+01 3.683538185e+01 2.02 8.924466188e+00 2.526122529e+01 3.358548560e+01 2.04 7.632998898e+00 2.280546543e+01 3.057554325e+01 2.06 6.452400836e+00 2.054362419e+01 2.778623567e+01 2.08 5.375117167e+00 1.845886821e+01 2.520014503e+01 2.10 4.394011586e+00 1.653631974e+01 2.280181291e+01 2.12 3.502225379e+00 1.476277083e+01 2.057778053e+01 2.14 2.693108403e+00 1.312636609e+01 1.851648242e+01 2.16 1.960201499e+00 1.161634384e+01 1.660792624e+01 2.18 1.297252969e+00 1.022287925e+01 1.484318533e+01 2.20 6.982659497e-01 8.937008756e+00 1.321383926e+01 2.22 1.575759572e-01 7.750597012e+00 1.171151783e+01 2.24 -3.300587896e-01 6.656303215e+00 1.032771461e+01 2.26 -7.693832304e-01 5.647530049e+00 9.053853330e+00 2.28 -1.164611017e+00 4.718355386e+00 7.881517543e+00 2.30 -1.519435800e+00 3.863448621e+00 6.802701149e+00 2.32 -1.837077317e+00 3.077986733e+00 5.809993376e+00 2.34 -2.120348633e+00 2.357567392e+00 4.896662376e+00 2.36 -2.371735375e+00 1.698131287e+00 4.056651422e+00 2.38 -2.593780454e+00 1.095891906e+00 3.284514051e+00 2.40 -2.792014703e+00 5.472763517e-01 2.575311863e+00 2.42 -2.968422628e+00 4.887776237e-02 1.924502854e+00 2.44 -3.123805750e+00 -4.025826646e-01 1.327843069e+00 2.46 -3.259019450e+00 -8.102842914e-01 7.813249677e-01 2.48 -3.374947738e+00 -1.177331771e+00 2.811617215e-01 2.50 -3.472492322e+00 -1.506778507e+00 -1.761902875e-01 2.52 -3.552588753e+00 -1.801646489e+00 -5.939955366e-01 2.54 -3.616250544e+00 -2.064931296e+00 -9.752091524e-01 2.56 -3.664626243e+00 -2.299577660e+00 -1.322468084e+00 2.58 -3.699042150e+00 -2.508420093e+00 -1.638103105e+00 2.60 -3.721004595e+00 -2.696195854e+00 -1.924165627e+00 2.62 -3.732143164e+00 -2.866945798e+00 -2.182462055e+00 2.64 -3.734108988e+00 -3.021633532e+00 -2.414593988e+00 2.66 -3.728453368e+00 -3.161105553e+00 -2.621997648e+00 2.68 -3.716525566e+00 -3.286098919e+00 -2.808021259e+00 2.70 -3.699415651e+00 -3.397254284e+00 -2.975383312e+00 2.72 -3.677948103e+00 -3.495136158e+00 -3.124556656e+00 2.74 -3.652714166e+00 -3.580252445e+00 -3.256146411e+00 2.76 -3.624123763e+00 -3.653069960e+00 -3.370920249e+00 2.78 -3.592460062e+00 -3.714025849e+00 -3.469827487e+00 2.80 -3.557927051e+00 -3.763537187e+00 -3.553995591e+00 2.82 -3.520684900e+00 -3.802010735e+00 -3.624696044e+00 2.84 -3.480874799e+00 -3.829856353e+00 -3.683279976e+00 2.86 -3.438633626e+00 -3.847505025e+00 -3.731094709e+00 2.88 -3.394101296e+00 -3.855431900e+00 -3.769400065e+00 2.90 -3.347422794e+00 -3.854182147e+00 -3.799303574e+00 2.92 -3.298745802e+00 -3.844394847e+00 -3.821726394e+00 2.94 -3.248222263e+00 -3.826817912e+00 -3.837401040e+00 2.96 -3.195997124e+00 -3.802306522e+00 -3.846892103e+00 2.98 -3.142210166e+00 -3.771799952e+00 -3.850636147e+00 3.00 -3.086991870e+00 -3.736277170e+00 -3.848970854e+00 3.02 -3.030461961e+00 -3.696698430e+00 -3.842173619e+00 3.04 -2.972729360e+00 -3.653944694e+00 -3.830485109e+00 3.06 -2.913893521e+00 -3.608772544e+00 -3.814126256e+00 3.08 -2.854046931e+00 -3.561782700e+00 -3.793308252e+00 3.10 -2.793278366e+00 -3.513420083e+00 -3.768237275e+00 3.12 -2.731676389e+00 -3.463988408e+00 -3.739115732e+00 3.14 -2.669332488e+00 -3.413681233e+00 -3.706141489e+00 3.16 -2.606343354e+00 -3.362608363e+00 -3.669506284e+00 3.18 -2.542811934e+00 -3.310828091e+00 -3.629394174e+00 3.20 -2.478852307e+00 -3.258368846e+00 -3.585980543e+00 3.22 -2.414602454e+00 -3.205244934e+00 -3.539432619e+00 3.24 -2.350160780e+00 -3.151466373e+00 -3.489910607e+00 3.26 -2.285654720e+00 -3.097044587e+00 -3.437571400e+00 3.28 -2.221320670e+00 -3.041995687e+00 -3.382573686e+00 3.30 -2.157392867e+00 -2.986342611e+00 -3.325084925e+00 3.32 -2.094075250e+00 -2.930116766e+00 -3.265289694e+00 3.34 -2.031543346e+00 -2.873359272e+00 -3.203398537e+00 3.36 -1.969946261e+00 -2.816121656e+00 -3.139655958e+00 3.38 -1.909408602e+00 -2.758465794e+00 -3.074345792e+00 3.40 -1.850031307e+00 -2.700462892e+00 -3.007792084e+00 3.42 -1.791888212e+00 -2.642192135e+00 -2.940354011e+00 3.44 -1.735036296e+00 -2.583737789e+00 -2.872414373e+00 3.46 -1.679512712e+00 -2.525186948e+00 -2.804362556e+00 3.48 -1.625341318e+00 -2.466626690e+00 -2.736574291e+00 3.50 -1.572532761e+00 -2.408142726e+00 -2.669390356e+00 3.52 -1.521085821e+00 -2.349837994e+00 -2.603104016e+00 3.54 -1.470988480e+00 -2.291812234e+00 -2.537942617e+00 3.56 -1.422218744e+00 -2.234218565e+00 -2.474067825e+00 3.58 -1.374745216e+00 -2.177203124e+00 -2.411576462e+00 3.60 -1.328527547e+00 -2.120885813e+00 -2.350526063e+00 3.62 -1.283516916e+00 -2.065362024e+00 -2.290909159e+00 3.64 -1.239656741e+00 -2.010704555e+00 -2.232753543e+00 3.66 -1.196883726e+00 -1.956965627e+00 -2.176089159e+00 3.68 -1.155129382e+00 -1.904178999e+00 -2.120900548e+00 3.70 -1.114322079e+00 -1.852362088e+00 -2.067140175e+00 3.72 -1.074389648e+00 -1.801516905e+00 -2.014739956e+00 3.74 -1.035262533e+00 -1.751628843e+00 -1.963620433e+00 3.76 -9.968774055e-01 -1.702673810e+00 -1.913697922e+00 3.78 -9.591811148e-01 -1.654621395e+00 -1.864890030e+00 3.80 -9.221347102e-01 -1.607436762e+00 -1.817119694e+00 3.82 -8.857171875e-01 -1.561082412e+00 -1.770316289e+00 3.84 -8.499284758e-01 -1.515519737e+00 -1.724416569e+00 3.86 -8.147911111e-01 -1.470710353e+00 -1.679369700e+00 3.88 -7.803500361e-01 -1.426617182e+00 -1.635137654e+00 3.90 -7.466700854e-01 -1.383205319e+00 -1.591694656e+00 3.92 -7.138307219e-01 -1.340442381e+00 -1.549025666e+00 3.94 -6.819197888e-01 -1.298300463e+00 -1.507126039e+00 3.96 -6.510229205e-01 -1.256754593e+00 -1.465997446e+00 3.98 -6.212152005e-01 -1.215784992e+00 -1.425647213e+00 4.00 -5.925520603e-01 -1.175377636e+00 -1.386085838e+00 4.02 -5.650624386e-01 -1.135525505e+00 -1.347325054e+00 4.04 -5.387448196e-01 -1.096230070e+00 -1.309376143e+00 4.06 -5.135665668e-01 -1.057502920e+00 -1.272248556e+00 4.08 -4.894664211e-01 -1.019367307e+00 -1.235948868e+00 4.10 -4.663595797e-01 -9.818585322e-01 -1.200480047e+00 4.12 -4.441445225e-01 -9.450276961e-01 -1.165841026e+00 4.14 -4.227107074e-01 -9.089358906e-01 -1.132026517e+00 4.16 -4.019463782e-01 -8.736559679e-01 -1.099027038e+00 4.18 -3.817459161e-01 -8.392682518e-01 -1.066829099e+00 4.20 -3.620163562e-01 -8.058559553e-01 -1.035415492e+00 4.22 -3.426828389e-01 -7.734996973e-01 -1.004765648e+00 4.24 -3.236927735e-01 -7.422716920e-01 -9.748560168e-01 4.26 -3.050186034e-01 -7.122302933e-01 -9.456604291e-01 4.28 -2.866589474e-01 -6.834155535e-01 -9.171504148e-01 4.30 -2.686379749e-01 -6.558462975e-01 -8.892954563e-01 4.32 -2.510029230e-01 -6.295189682e-01 -8.620631663e-01 4.34 -2.338198135e-01 -6.044082161e-01 -8.354193932e-01 4.36 -2.171674367e-01 -5.804689684e-01 -8.093282683e-01 4.38 -2.011312960e-01 -5.576395550e-01 -7.837522193e-01 4.40 -1.857950756e-01 -5.358454120e-01 -7.586519791e-01 4.42 -1.712346742e-01 -5.150029196e-01 -7.339866232e-01 4.44 -1.575121921e-01 -4.950230264e-01 -7.097136677e-01 4.46 -1.446717943e-01 -4.758144342e-01 -6.857892568e-01 4.48 -1.327374927e-01 -4.572862372e-01 -6.621684668e-01 4.50 -1.217128424e-01 -4.393500117e-01 -6.388057524e-01 4.52 -1.115817676e-01 -4.219214181e-01 -6.156548452e-01 4.54 -1.023133939e-01 -4.049214219e-01 -5.926725381e-01 4.56 -9.386193111e-02 -3.882772516e-01 -5.698150053e-01 4.58 -8.617277711e-02 -3.719232098e-01 -5.470423438e-01 4.60 -7.918546779e-02 -3.558014351e-01 -5.243191805e-01 4.62 -7.283691876e-02 -3.398626826e-01 -5.016163797e-01 4.64 -6.706415511e-02 -3.240671597e-01 -4.789129413e-01 4.66 -6.180646705e-02 -3.083854139e-01 -4.561980195e-01 4.68 -5.700701719e-02 -2.927992303e-01 -4.334729518e-01 4.70 -5.261391190e-02 -2.773024564e-01 -4.107531455e-01 4.72 -4.858081729e-02 -2.619016406e-01 -3.880696274e-01 4.74 -4.486721253e-02 -2.466163429e-01 -3.654700387e-01 4.76 -4.143793868e-02 -2.314789744e-01 -3.430188480e-01 4.78 -3.826331692e-02 -2.165340316e-01 -3.207965850e-01 4.80 -3.531976459e-02 -2.018359241e-01 -2.988979610e-01 4.82 -3.258771529e-02 -1.874497561e-01 -2.774288442e-01 4.84 -3.005108098e-02 -1.734438684e-01 -2.565021878e-01 4.86 -2.769664771e-02 -1.598897108e-01 -2.362331509e-01 4.88 -2.551342371e-02 -1.468573864e-01 -2.167337733e-01 4.90 -2.349200400e-02 -1.344120562e-01 -1.981076546e-01 4.92 -2.162399981e-02 -1.226106698e-01 -1.804451048e-01 4.94 -1.990156575e-02 -1.114992936e-01 -1.638191909e-01 4.96 -1.831704299e-02 -1.011112444e-01 -1.482829934e-01 4.98 -1.686272218e-02 -9.146613111e-02 -1.338682351e-01 5.00 -1.553071781e-02 -8.256980678e-02 -1.205852843e-01 5.02 -1.431293719e-02 -7.441513312e-02 -1.084243856e-01 5.04 -1.320112135e-02 -6.698339218e-02 -9.735786699e-02 5.06 -1.218693423e-02 -6.024614046e-02 -8.734300989e-02 5.08 -1.126207806e-02 -5.416729563e-02 -7.832526557e-02 5.10 -1.041841608e-02 -4.870526647e-02 -7.024152825e-02 5.12 -9.648089056e-03 -4.381497404e-02 -6.302323521e-02 5.14 -8.943616358e-03 -3.944964812e-02 -5.659913136e-02 5.16 -8.297975009e-03 -3.556235825e-02 -5.089760440e-02 5.18 -7.704658044e-03 -3.210723608e-02 -4.584855347e-02 5.20 -7.157723640e-03 -2.904038576e-02 -4.138479263e-02 5.22 -6.651806478e-03 -2.632052261e-02 -3.744305157e-02 5.24 -6.182121860e-03 -2.390937591e-02 -3.396460912e-02 5.26 -5.744458019e-03 -2.177172402e-02 -3.089561639e-02 5.28 -5.335158513e-03 -1.987520046e-02 -2.818719310e-02 5.30 -4.951096856e-03 -1.819172136e-02 -2.579535033e-02 5.32 -4.589644973e-03 -1.669609769e-02 -2.368046394e-02 5.34 -4.248636555e-03 -1.536578760e-02 -2.180726342e-02 5.36 -3.926577615e-03 -1.418075466e-02 -2.014547068e-02 5.38 -3.622708725e-03 -1.312342752e-02 -1.866825587e-02 5.40 -3.335708066e-03 -1.217863659e-02 -1.735195999e-02 5.42 -3.064535274e-03 -1.133231133e-02 -1.617582479e-02 5.44 -2.808432158e-03 -1.057213566e-02 -1.512170598e-02 5.46 -2.566860498e-03 -9.887397707e-03 -1.417378864e-02 5.48 -2.339443300e-03 -9.268768731e-03 -1.331831608e-02 5.50 -2.125910380e-03 -8.708113319e-03 -1.254333846e-02 5.52 -1.926049401e-03 -8.198326881e-03 -1.183848435e-02 5.54 -1.739663592e-03 -7.733196871e-03 -1.119434918e-02 5.56 -1.566537205e-03 -7.307284277e-03 -1.060399692e-02 5.58 -1.406409416e-03 -6.915822311e-03 -1.006018117e-02 5.60 -1.258956883e-03 -6.554629638e-03 -9.557020803e-03 5.62 -1.123784646e-03 -6.220035012e-03 -9.089405023e-03 5.64 -1.000424518e-03 -5.908814301e-03 -8.652887242e-03 5.66 -8.883397467e-04 -5.618135882e-03 -8.243598856e-03 5.68 -7.869344371e-04 -5.345511884e-03 -7.858170013e-03 5.70 -6.955661865e-04 -5.088757064e-03 -7.493663423e-03 5.72 -6.135604052e-04 -4.845953427e-03 -7.147518657e-03 5.74 -5.402250211e-04 -4.615419874e-03 -6.817505249e-03 5.76 -4.748645117e-04 -4.395686300e-03 -6.501683463e-03 5.78 -4.167925021e-04 -4.185471617e-03 -6.198371713e-03 5.80 -3.653424596e-04 -3.983665217e-03 -5.906119731e-03 5.82 -3.198762583e-04 -3.789311435e-03 -5.623686603e-03 5.84 -2.797905950e-04 -3.601596555e-03 -5.350022895e-03 5.86 -2.445213804e-04 -3.419837933e-03 -5.084256063e-03 5.88 -2.135463278e-04 -3.243474782e-03 -4.825678401e-03 5.90 -1.863860108e-04 -3.072060151e-03 -4.573736765e-03 5.92 -1.626036773e-04 -2.905253644e-03 -4.328023332e-03 5.94 -1.418041025e-04 -2.742848112e-03 -4.088301260e-03 5.96 -1.236317334e-04 -2.584959917e-03 -3.854824807e-03 5.98 -1.077683478e-04 -2.431519213e-03 -3.627585569e-03 6.00 -9.393041502e-05 -2.282464272e-03 -3.406546562e-03