# 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 = PbPd3 # 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 4.101865726e+02 nan nan 1.16 3.791464904e+02 nan nan 1.18 3.505241928e+02 nan nan 1.20 3.241099302e+02 nan nan 1.22 2.997156149e+02 nan nan 1.24 2.771719924e+02 nan nan 1.26 2.563247861e+02 nan nan 1.28 2.370323188e+02 3.587078980e+02 4.081233504e+02 1.30 2.191658888e+02 3.337698572e+02 3.804014811e+02 1.32 2.026100777e+02 3.105942921e+02 3.546136640e+02 1.34 1.872608199e+02 2.890407832e+02 3.306111047e+02 1.36 1.730227277e+02 2.689813127e+02 3.082597579e+02 1.38 1.598079561e+02 2.503011714e+02 2.874362675e+02 1.40 1.475363817e+02 2.328985592e+02 2.680260801e+02 1.42 1.361353722e+02 2.166819334e+02 2.499233924e+02 1.44 1.255384427e+02 2.015664828e+02 2.330311435e+02 1.46 1.156837054e+02 1.874720878e+02 2.172602878e+02 1.48 1.065131520e+02 1.743232449e+02 2.025287156e+02 1.50 9.797292162e+01 1.620495657e+02 1.887604279e+02 1.52 9.001395803e+01 1.505858389e+02 1.758852279e+02 1.54 8.259238890e+01 1.398718617e+02 1.638386177e+02 1.56 7.569013130e+01 1.298524423e+02 1.525615805e+02 1.58 6.932021672e+01 1.204774865e+02 1.420003171e+02 1.60 6.344466170e+01 1.117017772e+02 1.321058350e+02 1.62 5.802533384e+01 1.034842536e+02 1.228331725e+02 1.64 5.302660326e+01 9.578706724e+01 1.141404676e+02 1.66 4.841547530e+01 8.857493314e+01 1.059883520e+02 1.68 4.416169814e+01 8.181494317e+01 9.833985481e+01 1.70 4.023766630e+01 7.549383177e+01 9.116054189e+01 1.72 3.661814880e+01 6.962376229e+01 8.441853949e+01 1.74 3.327997634e+01 6.417375454e+01 7.808738225e+01 1.76 3.020178340e+01 5.911257990e+01 7.218186474e+01 1.78 2.736380436e+01 5.441137822e+01 6.668681226e+01 1.80 2.474770162e+01 5.004374434e+01 6.157428467e+01 1.82 2.233644488e+01 4.598571642e+01 5.681866444e+01 1.84 2.011423914e+01 4.221563747e+01 5.239601237e+01 1.86 1.806649815e+01 3.871387208e+01 4.828357655e+01 1.88 1.617981545e+01 3.546244395e+01 4.445963330e+01 1.90 1.444191265e+01 3.244465742e+01 4.090361114e+01 1.92 1.284156344e+01 2.964479810e+01 3.759629477e+01 1.94 1.136850510e+01 2.704796572e+01 3.451991787e+01 1.96 1.001335008e+01 2.464003863e+01 3.165812145e+01 1.98 8.767500741e+00 2.240770932e+01 2.899582567e+01 2.00 7.623065187e+00 2.033852347e+01 2.651909446e+01 2.02 6.572772806e+00 1.842088085e+01 2.421504018e+01 2.04 5.609890129e+00 1.664399308e+01 2.207176594e+01 2.06 4.728145373e+00 1.499782252e+01 2.007832618e+01 2.08 3.921664369e+00 1.347302707e+01 1.822468020e+01 2.10 3.184920915e+00 1.206092250e+01 1.650162930e+01 2.12 2.512700718e+00 1.075345977e+01 1.490072933e+01 2.14 1.900081638e+00 9.543206611e+00 1.341418389e+01 2.16 1.342433076e+00 8.423322323e+00 1.203473191e+01 2.18 8.354285956e-01 7.387522760e+00 1.075555001e+01 2.20 3.750645974e-01 6.430035312e+00 9.570183935e+00 2.22 -4.233493516e-02 5.545553616e+00 8.472511852e+00 2.24 -4.201283847e-01 4.729193507e+00 7.456728464e+00 2.26 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-3.023014024e+00 -2.441303520e+00 -1.927414404e+00 2.64 -3.022960609e+00 -2.558426954e+00 -2.101952567e+00 2.66 -3.016757861e+00 -2.661755450e+00 -2.257491641e+00 2.68 -3.005170900e+00 -2.753037547e+00 -2.395279763e+00 2.70 -2.988846429e+00 -2.832789159e+00 -2.516552798e+00 2.72 -2.968331520e+00 -2.901382777e+00 -2.622550893e+00 2.74 -2.944091551e+00 -2.959228178e+00 -2.714865434e+00 2.76 -2.916526291e+00 -3.006763445e+00 -2.795484204e+00 2.78 -2.885983915e+00 -3.044448698e+00 -2.865182813e+00 2.80 -2.852773811e+00 -3.072764147e+00 -2.924699464e+00 2.82 -2.817175350e+00 -3.092210777e+00 -2.974769344e+00 2.84 -2.779445887e+00 -3.103360620e+00 -3.016088394e+00 2.86 -2.739825345e+00 -3.106903913e+00 -3.049290123e+00 2.88 -2.698562304e+00 -3.103549715e+00 -3.074937192e+00 2.90 -2.655878800e+00 -3.094011427e+00 -3.093526827e+00 2.92 -2.611929963e+00 -3.079000961e+00 -3.105556575e+00 2.94 -2.566871358e+00 -3.059215115e+00 -3.111542462e+00 2.96 -2.520850334e+00 -3.035316417e+00 -3.111945541e+00 2.98 -2.474009261e+00 -3.007912880e+00 -3.107187174e+00 3.00 -2.426483000e+00 -2.977541747e+00 -3.097652314e+00 3.02 -2.378398244e+00 -2.944661040e+00 -3.083703169e+00 3.04 -2.329868993e+00 -2.909649456e+00 -3.065682126e+00 3.06 -2.280992262e+00 -2.872817420e+00 -3.043914029e+00 3.08 -2.231859997e+00 -2.834415315e+00 -3.018706977e+00 3.10 -2.182560714e+00 -2.794650894e+00 -2.990352287e+00 3.12 -2.133179744e+00 -2.753700658e+00 -2.959124197e+00 3.14 -2.083799436e+00 -2.711734466e+00 -2.925279744e+00 3.16 -2.034499240e+00 -2.668919385e+00 -2.889059139e+00 3.18 -1.985355600e+00 -2.625359802e+00 -2.850686843e+00 3.20 -1.936441637e+00 -2.581155619e+00 -2.810373256e+00 3.22 -1.887826665e+00 -2.536405679e+00 -2.768328199e+00 3.24 -1.839575633e+00 -2.491205615e+00 -2.724766135e+00 3.26 -1.791748637e+00 -2.445645895e+00 -2.679845870e+00 3.28 -1.744400599e+00 -2.399810677e+00 -2.633727636e+00 3.30 -1.697581212e+00 -2.353777590e+00 -2.586579884e+00 3.32 -1.651335116e+00 -2.307615008e+00 -2.538580299e+00 3.34 -1.605702252e+00 -2.261379945e+00 -2.489915392e+00 3.36 -1.560718282e+00 -2.215128030e+00 -2.440778234e+00 3.38 -1.516414928e+00 -2.168915223e+00 -2.391364271e+00 3.40 -1.472820189e+00 -2.122797938e+00 -2.341864197e+00 3.42 -1.429957408e+00 -2.076833413e+00 -2.292452373e+00 3.44 -1.387849334e+00 -2.031078031e+00 -2.243286870e+00 3.46 -1.346511424e+00 -1.985587057e+00 -2.194507859e+00 3.48 -1.305956330e+00 -1.940413381e+00 -2.146234720e+00 3.50 -1.266192455e+00 -1.895606496e+00 -2.098564260e+00 3.52 -1.227223703e+00 -1.851211618e+00 -2.051575399e+00 3.54 -1.189049132e+00 -1.807269033e+00 -2.005324480e+00 3.56 -1.151662565e+00 -1.763813681e+00 -1.959851680e+00 3.58 -1.115052227e+00 -1.720874997e+00 -1.915181731e+00 3.60 -1.079200562e+00 -1.678476974e+00 -1.871325694e+00 3.62 -1.044084368e+00 -1.636638428e+00 -1.828282647e+00 3.64 -1.009675391e+00 -1.595373406e+00 -1.786041387e+00 3.66 -9.759414266e-01 -1.554691691e+00 -1.744582236e+00 3.68 -9.428479455e-01 -1.514599322e+00 -1.703878946e+00 3.70 -9.103601940e-01 -1.475099076e+00 -1.663900669e+00 3.72 -8.784456685e-01 -1.436190858e+00 -1.624613912e+00 3.74 -8.470768311e-01 -1.397871968e+00 -1.585984400e+00 3.76 -8.162338772e-01 -1.360137268e+00 -1.547978802e+00 3.78 -7.859073069e-01 -1.322979296e+00 -1.510566234e+00 3.80 -7.560999933e-01 -1.286388402e+00 -1.473719530e+00 3.82 -7.268283990e-01 -1.250352991e+00 -1.437416210e+00 3.84 -6.981226016e-01 -1.214859932e+00 -1.401639109e+00 3.86 -6.700248728e-01 -1.179895155e+00 -1.366376658e+00 3.88 -6.425867285e-01 -1.145444452e+00 -1.331622790e+00 3.90 -6.158646143e-01 -1.111494420e+00 -1.297376518e+00 3.92 -5.899143257e-01 -1.078033199e+00 -1.263640699e+00 3.94 -5.647868853e-01 -1.045053011e+00 -1.230423279e+00 3.96 -5.405213143e-01 -1.012549131e+00 -1.197732842e+00 3.98 -5.171423480e-01 -9.805225894e-01 -1.165579922e+00 4.00 -4.946578944e-01 -9.489808306e-01 -1.133975347e+00 4.02 -4.730588024e-01 -9.179385728e-01 -1.102929320e+00 4.04 -4.523204167e-01 -8.874183360e-01 -1.072450660e+00 4.06 -4.324055582e-01 -8.574504631e-01 -1.042546217e+00 4.08 -4.132684311e-01 -8.280724813e-01 -1.013220471e+00 4.10 -3.948589289e-01 -7.993267293e-01 -9.844752913e-01 4.12 -3.771268672e-01 -7.712622174e-01 -9.563098596e-01 4.14 -3.600257701e-01 -7.439254020e-01 -9.287207014e-01 4.16 -3.435159382e-01 -7.173613798e-01 -9.017018206e-01 4.18 -3.275666221e-01 -6.916093477e-01 -8.752448924e-01 4.20 -3.121571953e-01 -6.666995681e-01 -8.493394895e-01 4.22 -2.972772939e-01 -6.426510112e-01 -8.239733090e-01 4.24 -2.829259457e-01 -6.194699298e-01 -7.991323745e-01 4.26 -2.691098112e-01 -5.971494686e-01 -7.748011903e-01 4.28 -2.558407233e-01 -5.756702518e-01 -7.509628351e-01 4.30 -2.431328055e-01 -5.550017681e-01 -7.275989886e-01 4.32 -2.309994957e-01 -5.351042933e-01 -7.046899029e-01 4.34 -2.194508149e-01 -5.159310785e-01 -6.822143388e-01 4.36 -2.084906913e-01 -4.974305631e-01 -6.601495010e-01 4.38 -1.981175198e-01 -4.795484310e-01 -6.384710137e-01 4.40 -1.883203733e-01 -4.622294045e-01 -6.171529796e-01 4.42 -1.790813775e-01 -4.454187337e-01 -5.961681621e-01 4.44 -1.703759349e-01 -4.290633927e-01 -5.754883224e-01 4.46 -1.621740089e-01 -4.131130303e-01 -5.550847345e-01 4.48 -1.544416720e-01 -3.975207361e-01 -5.349288873e-01 4.50 -1.471427082e-01 -3.822436942e-01 -5.149933756e-01 4.52 -1.402395862e-01 -3.672437814e-01 -4.952518523e-01 4.54 -1.336971342e-01 -3.524881604e-01 -4.756849161e-01 4.56 -1.274794629e-01 -3.379498910e-01 -4.562741627e-01 4.58 -1.215544493e-01 -3.236085646e-01 -4.370087169e-01 4.60 -1.158940582e-01 -3.094509361e-01 -4.178853170e-01 4.62 -1.104735723e-01 -2.954715055e-01 -3.989096460e-01 4.64 -1.052720225e-01 -2.816729739e-01 -3.800974436e-01 4.66 -1.002723694e-01 -2.680664845e-01 -3.614752567e-01 4.68 -9.546147366e-02 -2.546715497e-01 -3.430806804e-01 4.70 -9.082988580e-02 -2.415155745e-01 -3.249619553e-01 4.72 -8.637148070e-02 -2.286329117e-01 -3.071768241e-01 4.74 -8.208295907e-02 -2.160634264e-01 -2.897906141e-01 4.76 -7.796324352e-02 -2.038506063e-01 -2.728736000e-01 4.78 -7.401280397e-02 -1.920393178e-01 -2.564977940e-01 4.80 -7.023295493e-02 -1.806725902e-01 -2.407334001e-01 4.82 -6.662517231e-02 -1.697923974e-01 -2.256452334e-01 4.84 -6.319047765e-02 -1.594324032e-01 -2.112894262e-01 4.86 -5.992893111e-02 -1.496196557e-01 -1.977107192e-01 4.88 -5.683926325e-02 -1.403724123e-01 -1.849405627e-01 4.90 -5.391865965e-02 -1.316995125e-01 -1.729961538e-01 4.92 -5.116269695e-02 -1.236003979e-01 -1.618804188e-01 4.94 -4.856540737e-02 -1.160656986e-01 -1.515828483e-01 4.96 -4.611945443e-02 -1.090782678e-01 -1.420810031e-01 4.98 -4.381638019e-02 -1.026145176e-01 -1.333424911e-01 5.00 -4.164689144e-02 -9.664591765e-02 -1.253271857e-01 5.02 -3.960115595e-02 -9.114051415e-02 -1.179894729e-01 5.04 -3.766908573e-02 -8.606392425e-02 -1.112803658e-01 5.06 -3.584059149e-02 -8.138130225e-02 -1.051493869e-01 5.08 -3.410579890e-02 -7.705885050e-02 -9.954613728e-02 5.10 -3.245522797e-02 -7.306371169e-02 -9.442091814e-02 5.12 -3.087992875e-02 -6.936469363e-02 -8.972707590e-02 5.14 -2.937158412e-02 -6.593276816e-02 -8.542119768e-02 5.16 -2.792258480e-02 -6.274137264e-02 -8.146288668e-02 5.18 -2.652608217e-02 -5.976654946e-02 -7.781506108e-02 5.20 -2.517602448e-02 -5.698695322e-02 -7.444405203e-02 5.22 -2.386718114e-02 -5.438376218e-02 -7.131955695e-02 5.24 -2.259515805e-02 -5.194051751e-02 -6.841449380e-02 5.26 -2.135640554e-02 -4.964291258e-02 -6.570479271e-02 5.28 -2.014821886e-02 -4.747855121e-02 -6.316915225e-02 5.30 -1.896872966e-02 -4.543666804e-02 -6.078878067e-02 5.32 -1.781687937e-02 -4.350787160e-02 -5.854713619e-02 5.34 -1.669231460e-02 -4.168399578e-02 -5.642967624e-02 5.36 -1.559549267e-02 -3.995779280e-02 -5.442362151e-02 5.38 -1.452755587e-02 -3.832273054e-02 -5.251773871e-02 5.40 -1.349020421e-02 -3.677282644e-02 -5.070214126e-02 5.42 -1.248557880e-02 -3.530251532e-02 -4.896811279e-02 5.44 -1.151612645e-02 -3.390654938e-02 -4.730794960e-02 5.46 -1.058445065e-02 -3.257992805e-02 -4.571482154e-02 5.48 -9.693156252e-03 -3.131785329e-02 -4.418265034e-02 5.50 -8.844696740e-03 -3.011570544e-02 -4.270600373e-02 5.52 -8.041233239e-03 -2.896903412e-02 -4.128000391e-02 5.54 -7.284514156e-03 -2.787355914e-02 -3.989984317e-02 5.56 -6.575782517e-03 -2.682517737e-02 -3.856239728e-02 5.58 -5.915715639e-03 -2.581997199e-02 -3.726355456e-02 5.60 -5.304398888e-03 -2.485422174e-02 -3.599998068e-02 5.62 -4.741332266e-03 -2.392440881e-02 -3.476860717e-02 5.64 -4.225465981e-03 -2.302722560e-02 -3.356660180e-02 5.66 -3.755259275e-03 -2.215957791e-02 -3.239134393e-02 5.68 -3.328755736e-03 -2.131858676e-02 -3.124040694e-02 5.70 -2.943668047e-03 -2.050158907e-02 -3.011154709e-02 5.72 -2.597465680e-03 -1.970613778e-02 -2.900269813e-02 5.74 -2.287460019e-03 -1.893000200e-02 -2.791197123e-02 5.76 -2.010882705e-03 -1.817116795e-02 -2.683766002e-02 5.78 -1.764954358e-03 -1.742784104e-02 -2.577825011e-02 5.80 -1.546942116e-03 -1.669844926e-02 -2.473243269e-02 5.82 -1.354205533e-03 -1.598164821e-02 -2.369912145e-02 5.84 -1.184231181e-03 -1.527632724e-02 -2.267747188e-02 5.86 -1.034656919e-03 -1.458161641e-02 -2.166690185e-02 5.88 -9.032871315e-04 -1.389689358e-02 -2.066711212e-02 5.90 -7.881003787e-04 -1.322179051e-02 -1.967810495e-02 5.92 -6.872509505e-04 -1.255619702e-02 -1.870019914e-02 5.94 -5.990657027e-04 -1.190025473e-02 -1.773402930e-02 5.96 -5.220374127e-04 -1.125432603e-02 -1.678050556e-02 5.98 -4.548157255e-04 -1.061906201e-02 -1.584092257e-02 6.00 -3.961965674e-04 -9.995349890e-03 -1.491688759e-02