# 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 = Pb3Pt # 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 5.171230246e+02 nan nan 1.16 4.814386011e+02 nan nan 1.18 4.484033846e+02 nan nan 1.20 4.177855682e+02 nan nan 1.22 3.893765955e+02 nan nan 1.24 3.629905634e+02 nan nan 1.26 3.384609578e+02 nan nan 1.28 3.156361831e+02 4.586876591e+02 5.157172468e+02 1.30 2.943766525e+02 4.297902171e+02 4.838929116e+02 1.32 2.745548363e+02 4.028045740e+02 4.541519162e+02 1.34 2.560562662e+02 3.775861521e+02 4.263301044e+02 1.36 2.387787899e+02 3.540027233e+02 4.002830123e+02 1.38 2.226303758e+02 3.319330305e+02 3.758835878e+02 1.40 2.075274630e+02 3.112663991e+02 3.530184311e+02 1.42 1.933947448e+02 2.919027261e+02 3.315841365e+02 1.44 1.801652325e+02 2.737515166e+02 3.114839772e+02 1.46 1.677799152e+02 2.567300161e+02 2.926254078e+02 1.48 1.561860123e+02 2.407616314e+02 2.749199886e+02 1.50 1.453337065e+02 2.257749706e+02 2.582849464e+02 1.52 1.351734333e+02 2.117027177e+02 2.426447101e+02 1.54 1.256555869e+02 1.984806019e+02 2.279315293e+02 1.56 1.167323295e+02 1.860474148e+02 2.140847153e+02 1.58 1.083593605e+02 1.743460835e+02 2.010489487e+02 1.60 1.004964220e+02 1.633248103e+02 1.887726124e+02 1.62 9.313718868e+01 1.529373716e+02 1.772069465e+02 1.64 8.630622528e+01 1.431424487e+02 1.663060343e+02 1.66 7.996466422e+01 1.339025528e+02 1.560269550e+02 1.68 7.407519906e+01 1.251833570e+02 1.463298218e+02 1.70 6.860414117e+01 1.169535722e+02 1.371777675e+02 1.72 6.352080547e+01 1.091850166e+02 1.285366440e+02 1.74 5.879692434e+01 1.018521265e+02 1.203745246e+02 1.76 5.440631639e+01 9.494298018e+01 1.126612024e+02 1.78 5.032481650e+01 8.849377076e+01 1.053681380e+02 1.80 4.653030017e+01 8.248129572e+01 9.846875347e+01 1.82 4.300257182e+01 7.687283331e+01 9.197417179e+01 1.84 3.972301069e+01 7.163778904e+01 8.589846991e+01 1.86 3.667417096e+01 6.674813991e+01 8.021403409e+01 1.88 3.383954122e+01 6.217865292e+01 7.489530277e+01 1.90 3.120353151e+01 5.790677686e+01 6.991828887e+01 1.92 2.875157247e+01 5.391227037e+01 6.526033321e+01 1.94 2.647018413e+01 5.017670090e+01 6.090010412e+01 1.96 2.434698230e+01 4.668302758e+01 5.681772519e+01 1.98 2.237061251e+01 4.341530884e+01 5.299477848e+01 2.00 2.053065320e+01 4.035856766e+01 4.941418324e+01 2.02 1.881752717e+01 3.749876634e+01 4.606002172e+01 2.04 1.722242460e+01 3.482281078e+01 4.291737787e+01 2.06 1.573725960e+01 3.231853421e+01 3.997225442e+01 2.08 1.435463691e+01 2.997465251e+01 3.721153697e+01 2.10 1.306780881e+01 2.778069690e+01 3.462303211e+01 2.12 1.187060604e+01 2.572694779e+01 3.219550101e+01 2.14 1.075734209e+01 2.380438111e+01 2.991866708e+01 2.16 9.722714273e+00 2.200461590e+01 2.778316532e+01 2.18 8.761717520e+00 2.031987100e+01 2.578042517e+01 2.20 7.869602899e+00 1.874291678e+01 2.390252713e+01 2.22 7.041861575e+00 1.726703544e+01 2.214203382e+01 2.24 6.274228281e+00 1.588597824e+01 2.049189763e+01 2.26 5.562686147e+00 1.459392408e+01 1.894540937e+01 2.28 4.903468672e+00 1.338544227e+01 1.749620016e+01 2.30 4.293056477e+00 1.225544771e+01 1.613825143e+01 2.32 3.728170371e+00 1.119917029e+01 1.486590852e+01 2.34 3.204801514e+00 1.021211529e+01 1.367387539e+01 2.36 2.719570160e+00 9.290039518e+00 1.255719961e+01 2.38 2.270242750e+00 8.428929139e+00 1.151125459e+01 2.40 1.854668459e+00 7.624985504e+00 1.053171431e+01 2.42 1.470770659e+00 6.874618556e+00 9.614531519e+00 2.44 1.116546663e+00 6.174442886e+00 8.755912918e+00 2.46 7.900774259e-01 5.521278954e+00 7.952298579e+00 2.48 4.895438998e-01 4.912152814e+00 7.200347225e+00 2.50 2.132436878e-01 4.344292860e+00 6.496928397e+00 2.52 -4.039832527e-02 3.815120728e+00 5.839111265e+00 2.54 -2.728286635e-01 3.321948530e+00 5.224155673e+00 2.56 -4.853744173e-01 2.861586542e+00 4.649497810e+00 2.58 -6.792566208e-01 2.432152605e+00 4.112735641e+00 2.60 -8.556108052e-01 2.031955597e+00 3.611483286e+00 2.62 -1.015503732e+00 1.659376282e+00 3.142647635e+00 2.64 -1.159952724e+00 1.312869021e+00 2.704310350e+00 2.66 -1.289938845e+00 9.909677416e-01 2.294885913e+00 2.68 -1.406417863e+00 6.922847672e-01 1.912853248e+00 2.70 -1.510326055e+00 4.155099646e-01 1.556755014e+00 2.72 -1.602582144e+00 1.594079686e-01 1.225193548e+00 2.74 -1.684086231e+00 -7.718500287e-02 9.168251217e-01 2.76 -1.755716720e+00 -2.953642316e-01 6.303539921e-01 2.78 -1.818325203e+00 -4.961593634e-01 3.645276304e-01 2.80 -1.872730462e+00 -6.805388448e-01 1.181341159e-01 2.82 -1.919706312e+00 -8.494134147e-01 -1.099971908e-01 2.84 -1.959970226e+00 -1.003643782e+00 -3.209918878e-01 2.86 -1.994169681e+00 -1.144049474e+00 -5.159240231e-01 2.88 -2.022875307e+00 -1.271420134e+00 -6.958085810e-01 2.90 -2.046574611e+00 -1.386528088e+00 -8.615950932e-01 2.92 -2.065678277e+00 -1.490140345e+00 -1.014164225e+00 2.94 -2.080535509e+00 -1.583027364e+00 -1.154328207e+00 2.96 -2.091439983e+00 -1.665965818e+00 -1.282832976e+00 2.98 -2.098649965e+00 -1.739733458e+00 -1.400372591e+00 3.00 -2.102399006e+00 -1.805096187e+00 -1.507584357e+00 3.02 -2.102905086e+00 -1.862789955e+00 -1.605065254e+00 3.04 -2.100376471e+00 -1.913500807e+00 -1.693376070e+00 3.06 -2.095014711e+00 -1.957855157e+00 -1.773046361e+00 3.08 -2.087015562e+00 -1.996404754e+00 -1.844577725e+00 3.10 -2.076573286e+00 -2.029633355e+00 -1.908445567e+00 3.12 -2.063961060e+00 -2.057961789e+00 -1.965099791e+00 3.14 -2.049343477e+00 -2.081765062e+00 -2.014964931e+00 3.16 -2.032870900e+00 -2.101375694e+00 -2.058440200e+00 3.18 -2.014696251e+00 -2.117099877e+00 -2.095899820e+00 3.20 -1.994971900e+00 -2.129222256e+00 -2.127693548e+00 3.22 -1.973850442e+00 -2.138008747e+00 -2.154149148e+00 3.24 -1.951484800e+00 -2.143706656e+00 -2.175572577e+00 3.26 -1.928027279e+00 -2.146543548e+00 -2.192251814e+00 3.28 -1.903626521e+00 -2.146726305e+00 -2.204459772e+00 3.30 -1.878410307e+00 -2.144441308e+00 -2.212458198e+00 3.32 -1.852484457e+00 -2.139856023e+00 -2.216502134e+00 3.34 -1.825947767e+00 -2.133121687e+00 -2.216844681e+00 3.36 -1.798891923e+00 -2.124376500e+00 -2.213741632e+00 3.38 -1.771395300e+00 -2.113753083e+00 -2.207455344e+00 3.40 -1.743525161e+00 -2.101449263e+00 -2.198257166e+00 3.42 -1.715336366e+00 -2.087603786e+00 -2.186427768e+00 3.44 -1.686876992e+00 -2.072308594e+00 -2.172255025e+00 3.46 -1.658183623e+00 -2.055655234e+00 -2.156029500e+00 3.48 -1.629288396e+00 -2.037733996e+00 -2.138064902e+00 3.50 -1.600219162e+00 -2.018633205e+00 -2.118693980e+00 3.52 -1.571004895e+00 -1.998438506e+00 -2.098139779e+00 3.54 -1.541671952e+00 -1.977232272e+00 -2.076645271e+00 3.56 -1.512248936e+00 -1.955093260e+00 -2.054427778e+00 3.58 -1.482766259e+00 -1.932095192e+00 -2.031664166e+00 3.60 -1.453256202e+00 -1.908297769e+00 -2.008492046e+00 3.62 -1.423752562e+00 -1.883747727e+00 -1.985013120e+00 3.64 -1.394289999e+00 -1.858492857e+00 -1.961298068e+00 3.66 -1.364903199e+00 -1.832583127e+00 -1.937392314e+00 3.68 -1.335625966e+00 -1.806071028e+00 -1.913319469e+00 3.70 -1.306490342e+00 -1.779011728e+00 -1.889076337e+00 3.72 -1.277525815e+00 -1.751462879e+00 -1.864647858e+00 3.74 -1.248758685e+00 -1.723483968e+00 -1.840018734e+00 3.76 -1.220211596e+00 -1.695135231e+00 -1.815175858e+00 3.78 -1.191903243e+00 -1.666476226e+00 -1.790110184e+00 3.80 -1.163848255e+00 -1.637564261e+00 -1.764817900e+00 3.82 -1.136057213e+00 -1.608452907e+00 -1.739301001e+00 3.84 -1.108536779e+00 -1.579190815e+00 -1.713567401e+00 3.86 -1.081289889e+00 -1.549820957e+00 -1.687630656e+00 3.88 -1.054315979e+00 -1.520380344e+00 -1.661509401e+00 3.90 -1.027611210e+00 -1.490900166e+00 -1.635226568e+00 3.92 -1.001167835e+00 -1.461405423e+00 -1.608807322e+00 3.94 -9.749778044e-01 -1.431919149e+00 -1.582282734e+00 3.96 -9.490274538e-01 -1.402457687e+00 -1.555681366e+00 3.98 -9.233014128e-01 -1.373035530e+00 -1.529033415e+00 4.00 -8.977817058e-01 -1.343665295e+00 -1.502368424e+00 4.02 -8.724479218e-01 -1.314358820e+00 -1.475714467e+00 4.04 -8.472775007e-01 -1.285128369e+00 -1.449097491e+00 4.06 -8.222462012e-01 -1.255987908e+00 -1.422540819e+00 4.08 -7.973288143e-01 -1.226954422e+00 -1.396064844e+00 4.10 -7.725001837e-01 -1.198046564e+00 -1.369686887e+00 4.12 -7.477365804e-01 -1.169296558e+00 -1.343421240e+00 4.14 -7.230174526e-01 -1.140733760e+00 -1.317279363e+00 4.16 -6.983275324e-01 -1.112396719e+00 -1.291270216e+00 4.18 -6.736592306e-01 -1.084329373e+00 -1.265400700e+00 4.20 -6.490128499e-01 -1.056579653e+00 -1.239676158e+00 4.22 -6.244087871e-01 -1.029197378e+00 -1.214100896e+00 4.24 -5.998744009e-01 -1.002231649e+00 -1.188678659e+00 4.26 -5.754561425e-01 -9.757280086e-01 -1.163413009e+00 4.28 -5.512171494e-01 -9.497257491e-01 -1.138307563e+00 4.30 -5.272363347e-01 -9.242556878e-01 -1.113366040e+00 4.32 -5.036059805e-01 -8.993386663e-01 -1.088592138e+00 4.34 -4.804278538e-01 -8.749849002e-01 -1.063989225e+00 4.36 -4.578078840e-01 -8.511941618e-01 -1.039559917e+00 4.38 -4.358511334e-01 -8.279566650e-01 -1.015305591e+00 4.40 -4.146544132e-01 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-1.777581901e-01 -4.544876914e-01 -5.773121829e-01 4.78 -1.701360535e-01 -4.369363152e-01 -5.550873109e-01 4.80 -1.627960010e-01 -4.196169477e-01 -5.330844001e-01 4.82 -1.557134667e-01 -4.025732823e-01 -5.113696320e-01 4.84 -1.488688083e-01 -3.858468701e-01 -4.900160348e-01 4.86 -1.422470824e-01 -3.694847429e-01 -4.691007611e-01 4.88 -1.358377511e-01 -3.535346813e-01 -4.487018565e-01 4.90 -1.296343061e-01 -3.380428339e-01 -4.288947797e-01 4.92 -1.236338005e-01 -3.230513940e-01 -4.097489770e-01 4.94 -1.178362828e-01 -3.085965445e-01 -3.913248188e-01 4.96 -1.122441400e-01 -2.947068476e-01 -3.736711622e-01 4.98 -1.068613685e-01 -2.814022015e-01 -3.568237232e-01 5.00 -1.016928051e-01 -2.686934178e-01 -3.408043405e-01 5.02 -9.674336176e-02 -2.565823977e-01 -3.256211046e-01 5.04 -9.201731206e-02 -2.450628269e-01 -3.112692407e-01 5.06 -8.751767798e-02 -2.341212683e-01 -2.977325728e-01 5.08 -8.324575599e-02 -2.237385086e-01 -2.849853657e-01 5.10 -7.920080778e-02 -2.138910213e-01 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-1.007470386e-01 -1.412512393e-01 5.48 -3.450236306e-02 -9.691363649e-02 -1.366313712e-01 5.50 -3.318401250e-02 -9.325242763e-02 -1.321620152e-01 5.52 -3.192131994e-02 -8.975184368e-02 -1.278315058e-01 5.54 -3.071038808e-02 -8.640047234e-02 -1.236279062e-01 5.56 -2.954759151e-02 -8.318714044e-02 -1.195437777e-01 5.58 -2.842956707e-02 -8.010099432e-02 -1.155684892e-01 5.60 -2.735351544e-02 -7.713157199e-02 -1.116933980e-01 5.62 -2.631609143e-02 -7.426886381e-02 -1.079104131e-01 5.64 -2.531404573e-02 -7.150336092e-02 -1.042119437e-01 5.66 -2.434445118e-02 -6.882609233e-02 -1.005908631e-01 5.68 -2.340456097e-02 -6.622865095e-02 -9.704048608e-02 5.70 -2.249179738e-02 -6.370321307e-02 -9.355456037e-02 5.72 -2.160374721e-02 -6.124255310e-02 -9.012727158e-02 5.74 -2.073816306e-02 -5.884005627e-02 -8.675326135e-02 5.76 -1.989296944e-02 -5.648973147e-02 -8.342765821e-02 5.78 -1.906627277e-02 -5.418622622e-02 -8.014612082e-02 5.80 -1.825637420e-02 -5.192484378e-02 -7.690488881e-02 5.82 -1.746178434e-02 -4.970156471e-02 -7.370084531e-02 5.84 -1.668123900e-02 -4.751307113e-02 -7.053158510e-02 5.86 -1.591371492e-02 -4.535677257e-02 -6.739548502e-02 5.88 -1.515844445e-02 -4.323083137e-02 -6.429177322e-02 5.90 -1.441492804e-02 -4.113418488e-02 -6.122059188e-02 5.92 -1.368294338e-02 -3.906656075e-02 -5.818304797e-02 5.94 -1.296254968e-02 -3.702847557e-02 -5.518124579e-02 5.96 -1.225408600e-02 -3.502099039e-02 -5.221829614e-02 5.98 -1.155816208e-02 -3.304610197e-02 -4.929829158e-02 6.00 -1.087564096e-02 -3.110665865e-02 -4.642624814e-02