# 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 = MgPb3 # 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 4.850284941e+02 nan nan 1.16 4.502043573e+02 nan nan 1.18 4.180510701e+02 nan nan 1.20 3.883388634e+02 nan nan 1.22 3.608595365e+02 nan nan 1.24 3.354245775e+02 nan nan 1.26 3.118639736e+02 nan nan 1.28 2.900244048e+02 4.274367063e+02 4.828576591e+02 1.30 2.697668981e+02 3.993944051e+02 4.517699161e+02 1.32 2.509649782e+02 3.733023929e+02 4.228184864e+02 1.34 2.335036231e+02 3.490071673e+02 3.958380560e+02 1.36 2.172782295e+02 3.263687724e+02 3.706781303e+02 1.38 2.021934254e+02 3.052601455e+02 3.472015110e+02 1.40 1.881618872e+02 2.855662157e+02 3.252829729e+02 1.42 1.751034151e+02 2.671826386e+02 3.048080092e+02 1.44 1.629442807e+02 2.500142474e+02 2.856716676e+02 1.46 1.516168228e+02 2.339735514e+02 2.677774781e+02 1.48 1.410590676e+02 2.189796766e+02 2.510365056e+02 1.50 1.312143002e+02 2.049578324e+02 2.353665836e+02 1.52 1.220306643e+02 1.918389850e+02 2.206918159e+02 1.54 1.134606970e+02 1.795594652e+02 2.069423121e+02 1.56 1.054655521e+02 1.680604994e+02 1.940538620e+02 1.58 9.802430401e+01 1.572877964e+02 1.819674917e+02 1.60 9.109903459e+01 1.471912424e+02 1.706289502e+02 1.62 8.465236160e+01 1.377246858e+02 1.599881805e+02 1.64 7.864969216e+01 1.288456970e+02 1.499988559e+02 1.66 7.305909754e+01 1.205152757e+02 1.406179909e+02 1.68 6.785112811e+01 1.126974776e+02 1.318056254e+02 1.70 6.299857939e+01 1.053625738e+02 1.235246062e+02 1.72 5.847630485e+01 9.849611180e+01 1.157403961e+02 1.74 5.426107682e+01 9.206910889e+01 1.084210872e+02 1.76 5.033147349e+01 8.605231747e+01 1.015501522e+02 1.78 4.666774295e+01 8.041845741e+01 9.510657297e+01 1.80 4.325162993e+01 7.514214173e+01 8.906251031e+01 1.82 4.006620432e+01 7.019976224e+01 8.339204007e+01 1.84 3.709573656e+01 6.556938492e+01 7.807098597e+01 1.86 3.432560661e+01 6.123061465e+01 7.307686267e+01 1.88 3.174224491e+01 5.716448163e+01 6.838882400e+01 1.90 2.933307257e+01 5.335331250e+01 6.398757188e+01 1.92 2.708642173e+01 4.978061526e+01 5.985523925e+01 1.94 2.499145790e+01 4.643098758e+01 5.597522068e+01 1.96 2.303810278e+01 4.329005780e+01 5.233200286e+01 1.98 2.121696503e+01 4.034443733e+01 4.891101520e+01 2.00 1.951927341e+01 3.758166991e+01 4.569852726e+01 2.02 1.793682497e+01 3.499017644e+01 4.268160588e+01 2.04 1.646193784e+01 3.255919250e+01 3.984810198e+01 2.06 1.508743502e+01 3.027870775e+01 3.718664543e+01 2.08 1.380662602e+01 2.813941324e+01 3.468662505e+01 2.10 1.261329248e+01 2.613265574e+01 3.233815659e+01 2.12 1.150166665e+01 2.425039490e+01 3.013203519e+01 2.14 1.046640205e+01 2.248515676e+01 2.805967915e+01 2.16 9.502540572e+00 2.082997921e+01 2.611306940e+01 2.18 8.605467789e+00 1.927835508e+01 2.428469085e+01 2.20 7.770880579e+00 1.782417300e+01 2.256748171e+01 2.22 6.994747462e+00 1.646167253e+01 2.095479202e+01 2.24 6.273282416e+00 1.518540962e+01 1.944035425e+01 2.26 5.602926923e+00 1.399023402e+01 1.801826067e+01 2.28 4.980341145e+00 1.287127187e+01 1.668294855e+01 2.30 4.402400107e+00 1.182391203e+01 1.542918293e+01 2.32 3.866188956e+00 1.084378807e+01 1.425204783e+01 2.34 3.368993209e+00 9.926765493e+00 1.314693676e+01 2.36 2.908278870e+00 9.068927854e+00 1.210954573e+01 2.38 2.481676840e+00 8.266569316e+00 1.113586410e+01 2.40 2.086961964e+00 7.516191331e+00 1.022216328e+01 2.42 1.722039792e+00 6.814502593e+00 9.364977331e+00 2.44 1.384938486e+00 6.158419178e+00 8.561079701e+00 2.46 1.073804141e+00 5.545063910e+00 7.807456788e+00 2.48 7.868976147e-01 4.971762322e+00 7.101280988e+00 2.50 5.225910994e-01 4.436034940e+00 6.439885837e+00 2.52 2.793634157e-01 3.935585919e+00 5.820743536e+00 2.54 5.579410837e-02 3.468288893e+00 5.241448391e+00 2.56 -1.494461426e-01 3.032171273e+00 4.699705109e+00 2.58 -3.376008870e-01 2.625398156e+00 4.193322484e+00 2.60 -5.098394107e-01 2.246256654e+00 3.720211006e+00 2.62 -6.672613561e-01 1.893141851e+00 3.278383177e+00 2.64 -8.109041014e-01 1.564540326e+00 2.865950393e+00 2.66 -9.417439730e-01 1.259023427e+00 2.481126144e+00 2.68 -1.060698416e+00 9.752344284e-01 2.122219788e+00 2.70 -1.168625911e+00 7.118826964e-01 1.787633485e+00 2.72 -1.266326162e+00 4.677393754e-01 1.475858280e+00 2.74 -1.354540950e+00 2.416351522e-01 1.185471184e+00 2.76 -1.433955870e+00 3.245945394e-02 9.151336545e-01 2.78 -1.505202367e+00 -1.608391379e-01 6.635911459e-01 2.80 -1.568862654e+00 -3.392549787e-01 4.296721472e-01 2.82 -1.625470154e+00 -5.037224592e-01 2.122871654e-01 2.84 -1.675515573e+00 -6.551194327e-01 1.042502530e-02 2.86 -1.719449880e+00 -7.942683775e-01 -1.768518198e-01 2.88 -1.757691816e+00 -9.219388407e-01 -3.504131259e-01 2.90 -1.790627337e+00 -1.038850398e+00 -5.110671331e-01 2.92 -1.818616208e+00 -1.145675996e+00 -6.595668441e-01 2.94 -1.841997915e+00 -1.243045555e+00 -7.966160785e-01 2.96 -1.861095279e+00 -1.331549714e+00 -9.228732200e-01 2.98 -1.876308721e+00 -1.411743606e+00 -1.038964967e+00 3.00 -1.887867645e+00 -1.484150526e+00 -1.145477783e+00 3.02 -1.895945672e+00 -1.549265359e+00 -1.242971577e+00 3.04 -1.900726042e+00 -1.607556528e+00 -1.331980368e+00 3.06 -1.902398144e+00 -1.659473440e+00 -1.413014440e+00 3.08 -1.901154268e+00 -1.705441223e+00 -1.486561393e+00 3.10 -1.897186787e+00 -1.745868146e+00 -1.553086271e+00 3.12 -1.890685812e+00 -1.781144709e+00 -1.613031105e+00 3.14 -1.881833569e+00 -1.811650125e+00 -1.666814290e+00 3.16 -1.870794078e+00 -1.837744883e+00 -1.714830138e+00 3.18 -1.857704030e+00 -1.859776200e+00 -1.757448812e+00 3.20 -1.842706021e+00 -1.878074970e+00 -1.795016310e+00 3.22 -1.825952446e+00 -1.892972824e+00 -1.827856894e+00 3.24 -1.807604537e+00 -1.904812874e+00 -1.856271583e+00 3.26 -1.787830129e+00 -1.913836012e+00 -1.880541361e+00 3.28 -1.766799992e+00 -1.920213019e+00 -1.900928227e+00 3.30 -1.744682955e+00 -1.924096269e+00 -1.917676871e+00 3.32 -1.721636060e+00 -1.925630818e+00 -1.931028697e+00 3.34 -1.697782499e+00 -1.924953734e+00 -1.941281893e+00 3.36 -1.673230191e+00 -1.922194293e+00 -1.948586770e+00 3.38 -1.648072438e+00 -1.917474663e+00 -1.953067652e+00 3.40 -1.622390758e+00 -1.910907987e+00 -1.954856723e+00 3.42 -1.596253733e+00 -1.902600518e+00 -1.954094087e+00 3.44 -1.569722244e+00 -1.892639606e+00 -1.950927995e+00 3.46 -1.542845993e+00 -1.881092217e+00 -1.945514902e+00 3.48 -1.515669703e+00 -1.868028408e+00 -1.938019022e+00 3.50 -1.488233067e+00 -1.853520777e+00 -1.928608944e+00 3.52 -1.460576602e+00 -1.837643685e+00 -1.917466626e+00 3.54 -1.432736326e+00 -1.820472721e+00 -1.904735196e+00 3.56 -1.404749326e+00 -1.802084421e+00 -1.890552073e+00 3.58 -1.376653103e+00 -1.782556291e+00 -1.875055438e+00 3.60 -1.348485890e+00 -1.761966794e+00 -1.858379672e+00 3.62 -1.320286727e+00 -1.740387037e+00 -1.840651666e+00 3.64 -1.292095340e+00 -1.717879438e+00 -1.821988329e+00 3.66 -1.263951826e+00 -1.694512529e+00 -1.802495350e+00 3.68 -1.235896180e+00 -1.670361753e+00 -1.782267065e+00 3.70 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-2.023435129e-02 -7.571964017e-02 -1.116637895e-01 5.84 -1.910993789e-02 -7.246974308e-02 -1.070179112e-01 5.86 -1.803719269e-02 -6.926774370e-02 -1.024168870e-01 5.88 -1.701193304e-02 -6.611087675e-02 -9.785983558e-02 5.90 -1.603034555e-02 -6.299741215e-02 -9.334703262e-02 5.92 -1.508903774e-02 -5.992668885e-02 -8.888000086e-02 5.94 -1.418507478e-02 -5.689913298e-02 -8.446157511e-02 5.96 -1.331600031e-02 -5.391625620e-02 -8.009593337e-02 5.98 -1.247984098e-02 -5.098062125e-02 -7.578858616e-02 6.00 -1.167509489e-02 -4.809578286e-02 -7.154631738e-02