# 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 = PbW3 # 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 6.253389496e+02 nan nan 1.16 5.765878430e+02 nan nan 1.18 5.318140681e+02 nan nan 1.20 4.906371727e+02 nan nan 1.22 4.527188797e+02 nan nan 1.24 4.177595478e+02 nan nan 1.26 3.854969892e+02 nan nan 1.28 3.557054601e+02 5.434802686e+02 6.205097703e+02 1.30 3.281915872e+02 5.044877049e+02 5.767662950e+02 1.32 3.027864843e+02 4.683798629e+02 5.362330831e+02 1.34 2.793366771e+02 4.349259652e+02 4.986547783e+02 1.36 2.576973709e+02 4.039162040e+02 4.637991465e+02 1.38 2.377295787e+02 3.751575459e+02 4.314539766e+02 1.40 2.193001744e+02 3.484716578e+02 4.014241039e+02 1.42 2.022831697e+02 3.236943161e+02 3.735291472e+02 1.44 1.865611853e+02 3.006751258e+02 3.476026027e+02 1.46 1.720266313e+02 2.792768698e+02 3.234920449e+02 1.48 1.585824274e+02 2.593746279e+02 3.010593024e+02 1.50 1.461420466e+02 2.408550565e+02 2.801798481e+02 1.52 1.346286224e+02 2.236159147e+02 2.607412833e+02 1.54 1.239732414e+02 2.075654928e+02 2.426412829e+02 1.56 1.141130484e+02 1.926215839e+02 2.257855053e+02 1.58 1.049899765e+02 1.787099627e+02 2.100859485e+02 1.60 9.655035168e+01 1.657626098e+02 1.954600578e+02 1.62 8.874488389e+01 1.537160660e+02 1.818304763e+02 1.64 8.152844235e+01 1.425101916e+02 1.691250424e+02 1.66 7.485936759e+01 1.320874854e+02 1.572767295e+02 1.68 6.869852701e+01 1.223928938e+02 1.462234382e+02 1.70 6.300849040e+01 1.133739792e+02 1.359077411e+02 1.72 5.775308584e+01 1.049812324e+02 1.262767248e+02 1.74 5.289736493e+01 9.716838721e+01 1.172819437e+02 1.76 4.840781526e+01 8.989262893e+01 1.088793602e+02 1.78 4.425404001e+01 8.311466832e+01 1.010290883e+02 1.80 4.040769012e+01 7.679868990e+01 9.369487484e+01 1.82 3.684093413e+01 7.091221300e+01 8.684340452e+01 1.84 3.353261664e+01 6.542585498e+01 8.044363115e+01 1.86 3.046352124e+01 6.031300163e+01 7.446627922e+01 1.88 2.761277474e+01 5.554941221e+01 6.888360177e+01 1.90 2.496240658e+01 5.111278220e+01 6.366932311e+01 1.92 2.249724550e+01 4.698240568e+01 5.879866519e+01 1.94 2.020453446e+01 4.313995951e+01 5.424837028e+01 1.96 1.807333478e+01 3.956753164e+01 4.999666100e+01 1.98 1.609389956e+01 3.624836519e+01 4.602324846e+01 2.00 1.425716480e+01 3.316988555e+01 4.231064352e+01 2.02 1.255443968e+01 3.031536140e+01 3.884158094e+01 2.04 1.097728112e+01 2.766822272e+01 3.560120368e+01 2.06 9.517499961e+00 2.521258852e+01 3.257978183e+01 2.08 8.167215965e+00 2.293325021e+01 2.976260792e+01 2.10 6.918920669e+00 2.081571648e+01 2.713573521e+01 2.12 5.765519158e+00 1.884632328e+01 2.468652087e+01 2.14 4.700346237e+00 1.701238933e+01 2.240354502e+01 2.16 3.717161918e+00 1.530238084e+01 2.027646380e+01 2.18 2.810129833e+00 1.370603330e+01 1.829582887e+01 2.20 1.973796330e+00 1.221438491e+01 1.645289814e+01 2.22 1.203062796e+00 1.081971416e+01 1.473948179e+01 2.24 4.931678971e-01 9.515391951e+00 1.314781005e+01 2.26 -1.603221532e-01 8.295685998e+00 1.167044787e+01 2.28 -7.615136521e-01 7.155551912e+00 1.030024493e+01 2.30 -1.314179920e+00 6.090451594e+00 9.030308239e+00 2.32 -1.821753918e+00 5.096197432e+00 7.853996119e+00 2.34 -2.287325559e+00 4.168852539e+00 6.764917425e+00 2.36 -2.713651231e+00 3.304660389e+00 5.756932349e+00 2.38 -3.103163610e+00 2.500012972e+00 4.824148444e+00 2.40 -3.457937012e+00 1.751441829e+00 3.960922300e+00 2.42 -3.779615467e+00 1.055624898e+00 3.161862102e+00 2.44 -4.070066354e+00 4.093991144e-01 2.421845969e+00 2.46 -4.330984756e+00 -1.902243277e-01 1.736053485e+00 2.48 -4.563875484e+00 -7.460485465e-01 1.100005522e+00 2.50 -4.770104947e+00 -1.260684580e+00 5.096035643e-01 2.52 -4.950951733e+00 -1.736550946e+00 -3.884641681e-02 2.54 -5.107651652e+00 -2.175878803e+00 -5.486278934e-01 2.56 -5.241107565e+00 -2.580721846e+00 -1.022632142e+00 2.58 -5.351315358e+00 -2.952970110e+00 -1.463395869e+00 2.60 -5.438298562e+00 -3.294296404e+00 -1.873151541e+00 2.62 -5.502283217e+00 -3.606226984e+00 -2.253881757e+00 2.64 -5.543671686e+00 -3.890360889e+00 -2.607374752e+00 2.66 -5.563023304e+00 -4.148274954e+00 -2.935264691e+00 2.68 -5.561047243e+00 -4.381520899e+00 -3.238880881e+00 2.70 -5.538608951e+00 -4.591580074e+00 -3.519674210e+00 2.72 -5.496749176e+00 -4.779878676e+00 -3.779211507e+00 2.74 -5.436711243e+00 -4.947796546e+00 -4.018950373e+00 2.76 -5.359968595e+00 -5.096610273e+00 -4.240246092e+00 2.78 -5.268241755e+00 -5.227066855e+00 -4.444353086e+00 2.80 -5.163493544e+00 -5.339687378e+00 -4.632423530e+00 2.82 -5.047892608e+00 -5.434899740e+00 -4.805505488e+00 2.84 -4.923742996e+00 -5.513047017e+00 -4.964516982e+00 2.86 -4.793383136e+00 -5.574526779e+00 -5.109854084e+00 2.88 -4.659066542e+00 -5.619789726e+00 -5.241541784e+00 2.90 -4.522841339e+00 -5.649338689e+00 -5.359631235e+00 2.92 -4.386445569e+00 -5.663733174e+00 -5.464190426e+00 2.94 -4.251241455e+00 -5.663596308e+00 -5.555287043e+00 2.96 -4.118175600e+00 -5.649620515e+00 -5.632975800e+00 2.98 -3.987795657e+00 -5.622568316e+00 -5.697297612e+00 3.00 -3.860294250e+00 -5.583265499e+00 -5.748270664e+00 3.02 -3.735579699e+00 -5.532585483e+00 -5.785899973e+00 3.04 -3.613362711e+00 -5.471425006e+00 -5.810183131e+00 3.06 -3.493349240e+00 -5.400677870e+00 -5.821119906e+00 3.08 -3.374795708e+00 -5.321200238e+00 -5.818722641e+00 3.10 -3.256924542e+00 -5.233786303e+00 -5.803026010e+00 3.12 -3.139148282e+00 -5.139145684e+00 -5.774094961e+00 3.14 -3.020970749e+00 -5.037894756e+00 -5.732030133e+00 3.16 -2.902210550e+00 -4.930547630e+00 -5.676970684e+00 3.18 -2.782998641e+00 -4.817525087e+00 -5.609095092e+00 3.20 -2.663695722e+00 -4.699164782e+00 -5.528621025e+00 3.22 -2.544801236e+00 -4.575737376e+00 -5.435806178e+00 3.24 -2.426868974e+00 -4.447466223e+00 -5.330950711e+00 3.26 -2.310440179e+00 -4.314549879e+00 -5.214404117e+00 3.28 -2.195999458e+00 -4.177186859e+00 -5.086576382e+00 3.30 -2.083953546e+00 -4.035608976e+00 -4.947954097e+00 3.32 -1.974629121e+00 -3.890169573e+00 -4.799120685e+00 3.34 -1.868283713e+00 -3.741090812e+00 -4.640778974e+00 3.36 -1.765123372e+00 -3.588665821e+00 -4.473773388e+00 3.38 -1.665321520e+00 -3.433347255e+00 -4.299108259e+00 3.40 -1.569034872e+00 -3.275728094e+00 -4.117958527e+00 3.42 -1.476412520e+00 -3.116483100e+00 -3.931764851e+00 3.44 -1.387606487e+00 -2.956442509e+00 -3.741859693e+00 3.46 -1.302760413e+00 -2.796588328e+00 -3.549580551e+00 3.48 -1.222010522e+00 -2.638014931e+00 -3.356452491e+00 3.50 -1.145474911e+00 -2.481878923e+00 -3.164018045e+00 3.52 -1.073243737e+00 -2.329342147e+00 -2.973835559e+00 3.54 -1.005370126e+00 -2.181513247e+00 -2.787502252e+00 3.56 -9.418631714e-01 -2.039393632e+00 -2.606570974e+00 3.58 -8.826839520e-01 -1.903833090e+00 -2.432461502e+00 3.60 -8.277449538e-01 -1.775498827e+00 -2.266388536e+00 3.62 -7.769128186e-01 -1.654859697e+00 -2.109311223e+00 3.64 -7.300138786e-01 -1.542185312e+00 -1.961907042e+00 3.66 -6.868417052e-01 -1.437557970e+00 -1.824569294e+00 3.68 -6.471657500e-01 -1.340894191e+00 -1.697424525e+00 3.70 -6.107401660e-01 -1.251972195e+00 -1.580364550e+00 3.72 -5.773121264e-01 -1.170461829e+00 -1.473087243e+00 3.74 -5.466288467e-01 -1.095954036e+00 -1.375140703e+00 3.76 -5.184434516e-01 -1.027987790e+00 -1.285966481e+00 3.78 -4.925214455e-01 -9.660732857e-01 -1.204938851e+00 3.80 -4.686420660e-01 -9.097109216e-01 -1.131398355e+00 3.82 -4.466003994e-01 -8.584061309e-01 -1.064678918e+00 3.84 -4.262085744e-01 -8.116804775e-01 -1.004128569e+00 3.86 -4.072960739e-01 -7.690795534e-01 -9.491243489e-01 3.88 -3.897094042e-01 -7.301782411e-01 -8.990822204e-01 3.90 -3.733113206e-01 -6.945838522e-01 -8.534628969e-01 3.92 -3.579793732e-01 -6.619370578e-01 -8.117737659e-01 3.94 -3.436063419e-01 -6.319142305e-01 -7.735722817e-01 3.96 -3.300963378e-01 -6.042231250e-01 -7.384597265e-01 3.98 -3.173653542e-01 -5.786037485e-01 -7.060821615e-01 4.00 -3.053395331e-01 -5.548256374e-01 -6.761263803e-01 4.02 -2.939539955e-01 -5.326855069e-01 -6.483164333e-01 4.04 -2.831517612e-01 -5.120047604e-01 -6.224100586e-01 4.06 -2.728827685e-01 -4.926269635e-01 -5.981951828e-01 4.08 -2.631029930e-01 -4.744154041e-01 -5.754866044e-01 4.10 -2.537736643e-01 -4.572492912e-01 -5.541229228e-01 4.12 -2.448605750e-01 -4.410271409e-01 -5.339637486e-01 4.14 -2.363334737e-01 -4.256567599e-01 -5.148872024e-01 4.16 -2.281655360e-01 -4.110596291e-01 -4.967876917e-01 4.18 -2.203329045e-01 -3.971669858e-01 -4.795739436e-01 4.20 -2.128142903e-01 -3.839186112e-01 -4.631672683e-01 4.22 -2.055906288e-01 -3.712617223e-01 -4.475000093e-01 4.24 -1.986447826e-01 -3.591499794e-01 -4.325141466e-01 4.26 -1.919612860e-01 -3.475426101e-01 -4.181600115e-01 4.28 -1.855261252e-01 -3.364036452e-01 -4.043950928e-01 4.30 -1.793265495e-01 -3.257012542e-01 -3.911829139e-01 4.32 -1.733509089e-01 -3.154071724e-01 -3.784919755e-01 4.34 -1.675885146e-01 -3.054962080e-01 -3.662947594e-01 4.36 -1.620287909e-01 -2.959458186e-01 -3.545663638e-01 4.38 -1.566642131e-01 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-4.964577840e-02 -6.912901351e-02 5.46 -1.567027158e-02 -4.783948277e-02 -6.701585908e-02 5.48 -1.436507200e-02 -4.610354313e-02 -6.495440285e-02 5.50 -1.311918889e-02 -4.443484573e-02 -6.294220657e-02 5.52 -1.193661701e-02 -4.282997807e-02 -6.097683931e-02 5.54 -1.082062287e-02 -4.128530939e-02 -5.905547176e-02 5.56 -9.773620438e-03 -3.979706907e-02 -5.717655649e-02 5.58 -8.797093492e-03 -3.836141914e-02 -5.533721800e-02 5.60 -7.891567423e-03 -3.697451886e-02 -5.353506773e-02 5.62 -7.056628903e-03 -3.563257982e-02 -5.176773824e-02 5.64 -6.290987816e-03 -3.433191177e-02 -5.003289155e-02 5.66 -5.592572997e-03 -3.306895995e-02 -4.832823065e-02 5.68 -4.958651754e-03 -3.184033505e-02 -4.665151371e-02 5.70 -4.385962711e-03 -3.064283722e-02 -4.500057181e-02 5.72 -3.870852299e-03 -2.947347600e-02 -4.337333017e-02 5.74 -3.409406715e-03 -2.832948733e-02 -4.176783322e-02 5.76 -2.997573115e-03 -2.720834933e-02 -4.018227355e-02 5.78 -2.631265830e-03 -2.610779760e-02 -3.861502459e-02 5.80 -2.306455339e-03 -2.502584088e-02 -3.706467661e-02 5.82 -2.019239362e-03 -2.396077746e-02 -3.553007559e-02 5.84 -1.765896654e-03 -2.291121204e-02 -3.401036357e-02 5.86 -1.542924999e-03 -2.187607280e-02 -3.250501947e-02 5.88 -1.347065383e-03 -2.085462750e-02 -3.101389816e-02 5.90 -1.175314575e-03 -1.984649762e-02 -2.953726568e-02 5.92 -1.024928373e-03 -1.885166853e-02 -2.807582799e-02 5.94 -8.934176130e-04 -1.787048002e-02 -2.663072888e-02 5.96 -7.785388385e-04 -1.690357252e-02 -2.520348047e-02 5.98 -6.782812347e-04 -1.595202558e-02 -2.379618111e-02 6.00 -5.908511837e-04 -1.501726385e-02 -2.241138334e-02