# 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 = AuPt3 # 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 4.989733342e+02 nan nan 1.16 4.636753528e+02 nan nan 1.18 4.309050797e+02 nan nan 1.20 4.004456389e+02 nan nan 1.22 3.721154661e+02 nan nan 1.24 3.457561497e+02 nan nan 1.26 3.212227344e+02 nan nan 1.28 2.983710316e+02 4.411999708e+02 4.976384261e+02 1.30 2.770568576e+02 4.125210500e+02 4.660824492e+02 1.32 2.571517500e+02 3.856851079e+02 4.365254534e+02 1.34 2.385543653e+02 3.605570789e+02 4.088056941e+02 1.36 2.211824998e+02 3.370052695e+02 3.828014749e+02 1.38 2.049565726e+02 3.149054216e+02 3.584207543e+02 1.40 1.897931995e+02 2.941516422e+02 3.355779656e+02 1.42 1.756108084e+02 2.746651318e+02 3.141797435e+02 1.44 1.623359324e+02 2.563888798e+02 2.941248276e+02 1.46 1.499026465e+02 2.392699749e+02 2.753103038e+02 1.48 1.382474631e+02 2.232448317e+02 2.576380173e+02 1.50 1.273061106e+02 2.082369941e+02 2.410183256e+02 1.52 1.170152681e+02 1.941630563e+02 2.253712744e+02 1.54 1.073175109e+02 1.809391634e+02 2.106267829e+02 1.56 9.816617703e+01 1.684861032e+02 1.967236874e+02 1.58 8.952733758e+01 1.567337782e+02 1.836075301e+02 1.60 8.137719855e+01 1.456246653e+02 1.712291822e+02 1.62 7.369593918e+01 1.351146536e+02 1.595451581e+02 1.64 6.646332255e+01 1.251702179e+02 1.485171567e+02 1.66 5.971052854e+01 1.157632110e+02 1.381090522e+02 1.68 5.355364530e+01 1.068666312e+02 1.282833246e+02 1.70 4.794661268e+01 9.845358814e+01 1.189998528e+02 1.72 4.283768368e+01 9.049825131e+01 1.102173326e+02 1.74 3.818306987e+01 8.297598448e+01 1.018955667e+02 1.76 3.394541583e+01 7.586173728e+01 9.399741181e+01 1.78 3.009166389e+01 6.912834725e+01 8.649048453e+01 1.80 2.659117462e+01 6.276018742e+01 7.934893693e+01 1.82 2.341449215e+01 5.683710812e+01 7.255474322e+01 1.84 2.053290678e+01 5.138350382e+01 6.609920513e+01 1.86 1.791872915e+01 4.635950458e+01 6.001989138e+01 1.88 1.554591279e+01 4.173346895e+01 5.443110212e+01 1.90 1.339061966e+01 3.748010578e+01 4.931085794e+01 1.92 1.143152402e+01 3.357777415e+01 4.462130413e+01 1.94 9.649855690e+00 3.000585998e+01 4.032385615e+01 1.96 8.029266692e+00 2.674299299e+01 3.638170086e+01 1.98 6.555602291e+00 2.376643371e+01 3.276140167e+01 2.00 5.216628702e+00 2.105249827e+01 2.943334044e+01 2.02 4.001740510e+00 1.857757366e+01 2.637136795e+01 2.04 2.901652654e+00 1.631919630e+01 2.355221895e+01 2.06 1.908082605e+00 1.425682042e+01 2.095508670e+01 2.08 1.013444433e+00 1.237214824e+01 1.856145939e+01 2.10 2.105919403e-01 1.064908065e+01 1.635510848e+01 2.12 -5.073573057e-01 9.073433641e+00 1.432205866e+01 2.14 -1.147111930e+00 7.632580014e+00 1.245040861e+01 2.16 -1.715229665e+00 6.315142136e+00 1.072994464e+01 2.18 -2.218092537e+00 5.110794339e+00 9.151578631e+00 2.20 -2.661840554e+00 4.010164580e+00 7.706737172e+00 2.22 -3.052269220e+00 3.004788236e+00 6.386880749e+00 2.24 -3.394713154e+00 2.087069565e+00 5.183288248e+00 2.26 -3.693952622e+00 1.250228392e+00 4.087119202e+00 2.28 -3.954173234e+00 4.882287282e-01 3.089652589e+00 2.30 -4.178985721e+00 -2.043052745e-01 2.182564672e+00 2.32 -4.371491404e+00 -8.321791688e-01 1.358144966e+00 2.34 -4.534371262e+00 -1.399718394e+00 6.094084330e-01 2.36 -4.669980049e+00 -1.910854708e+00 -6.989374111e-02 2.38 -4.781785721e+00 -2.369206353e+00 -6.853412652e-01 2.40 -4.874946370e+00 -2.778150541e+00 -1.241959255e+00 2.42 -4.950321763e+00 -3.140887576e+00 -1.744347454e+00 2.44 -5.008597210e+00 -3.460496259e+00 -2.196791977e+00 2.46 -5.050514565e+00 -3.739981232e+00 -2.603334047e+00 2.48 -5.076842912e+00 -3.982314256e+00 -2.967786135e+00 2.50 -5.088365353e+00 -4.190470477e+00 -3.293706203e+00 2.52 -5.085894466e+00 -4.367454710e+00 -3.584354775e+00 2.54 -5.070316998e+00 -4.516304415e+00 -3.842659817e+00 2.56 -5.042652318e+00 -4.640054105e+00 -4.071203561e+00 2.58 -5.004097046e+00 -4.742171357e+00 -4.272232691e+00 2.60 -4.956027772e+00 -4.828466911e+00 -4.447685749e+00 2.62 -4.899947294e+00 -4.901475494e+00 -4.599230551e+00 2.64 -4.837383428e+00 -4.962168628e+00 -4.728307118e+00 2.66 -4.769770923e+00 -5.011382502e+00 -4.836496464e+00 2.68 -4.698400876e+00 -5.049807779e+00 -4.927937648e+00 2.70 -4.624292996e+00 -5.078002736e+00 -5.003724569e+00 2.72 -4.548128290e+00 -5.096418320e+00 -5.064126632e+00 2.74 -4.470393972e+00 -5.105425761e+00 -5.109571043e+00 2.76 -4.391432106e+00 -5.105341230e+00 -5.140682772e+00 2.78 -4.311485447e+00 -5.096445825e+00 -5.158312470e+00 2.80 -4.230733224e+00 -5.079001880e+00 -5.163538305e+00 2.82 -4.149315664e+00 -5.053267960e+00 -5.157631484e+00 2.84 -4.067349300e+00 -5.019515386e+00 -5.141984980e+00 2.86 -3.984932579e+00 -4.978048327e+00 -5.118017351e+00 2.88 -3.902154755e+00 -4.929227995e+00 -5.087072809e+00 2.90 -3.819101967e+00 -4.873505876e+00 -5.050339561e+00 2.92 -3.735857601e+00 -4.811484812e+00 -5.008800980e+00 2.94 -3.652500870e+00 -4.743811838e+00 -4.963222723e+00 2.96 -3.569104522e+00 -4.671241531e+00 -4.914169210e+00 2.98 -3.485732596e+00 -4.594630427e+00 -4.862079319e+00 3.00 -3.402438975e+00 -4.514889049e+00 -4.807233632e+00 3.02 -3.319267226e+00 -4.432919584e+00 -4.749771903e+00 3.04 -3.236251881e+00 -4.349551951e+00 -4.689793777e+00 3.06 -3.153421025e+00 -4.265491946e+00 -4.627379787e+00 3.08 -3.070799867e+00 -4.181290878e+00 -4.562605079e+00 3.10 -2.988414793e+00 -4.097339343e+00 -4.495547048e+00 3.12 -2.906297305e+00 -4.013878891e+00 -4.426288455e+00 3.14 -2.824487243e+00 -3.931029009e+00 -4.354917614e+00 3.16 -2.743034771e+00 -3.848821376e+00 -4.281526989e+00 3.18 -2.662000821e+00 -3.767230048e+00 -4.206210882e+00 3.20 -2.581456099e+00 -3.686196650e+00 -4.129061408e+00 3.22 -2.501524038e+00 -3.605649599e+00 -4.050170085e+00 3.24 -2.422441189e+00 -3.525517678e+00 -3.969629771e+00 3.26 -2.344432621e+00 -3.445738964e+00 -3.887537094e+00 3.28 -2.267690082e+00 -3.366266269e+00 -3.803996777e+00 3.30 -2.192373118e+00 -3.287070090e+00 -3.719127832e+00 3.32 -2.118610511e+00 -3.208139802e+00 -3.633071167e+00 3.34 -2.046502200e+00 -3.129483542e+00 -3.545997709e+00 3.36 -1.976121718e+00 -3.051127087e+00 -3.458115608e+00 3.38 -1.907519035e+00 -2.973111917e+00 -3.369674740e+00 3.40 -1.840723687e+00 -2.895492634e+00 -3.280966597e+00 3.42 -1.775747956e+00 -2.818333951e+00 -3.192318153e+00 3.44 -1.712589920e+00 -2.741707423e+00 -3.104079312e+00 3.46 -1.651236157e+00 -2.665688162e+00 -3.016604999e+00 3.48 -1.591664045e+00 -2.590352582e+00 -2.930234393e+00 3.50 -1.533843508e+00 -2.515821324e+00 -2.845270640e+00 3.52 -1.477738273e+00 -2.442286582e+00 -2.761964411e+00 3.54 -1.423306625e+00 -2.369922989e+00 -2.680503503e+00 3.56 -1.370501825e+00 -2.298874770e+00 -2.601009491e+00 3.58 -1.319272275e+00 -2.229257420e+00 -2.523552663e+00 3.60 -1.269561598e+00 -2.161159409e+00 -2.448247835e+00 3.62 -1.221308764e+00 -2.094643911e+00 -2.375189073e+00 3.64 -1.174448419e+00 -2.029750601e+00 -2.304401428e+00 3.66 -1.128911510e+00 -1.966497539e+00 -2.235857819e+00 3.68 -1.084626336e+00 -1.904883173e+00 -2.169493992e+00 3.70 -1.041520075e+00 -1.844888491e+00 -2.105220734e+00 3.72 -9.995208556e-01 -1.786479338e+00 -2.042933540e+00 3.74 -9.585603505e-01 -1.729608894e+00 -1.982520132e+00 3.76 -9.185768440e-01 -1.674220263e+00 -1.923866315e+00 3.78 -8.795186305e-01 -1.620249126e+00 -1.866860562e+00 3.80 -8.413475013e-01 -1.567626352e+00 -1.811397594e+00 3.82 -8.040419685e-01 -1.516280462e+00 -1.757381138e+00 3.84 -7.675997711e-01 -1.466139840e+00 -1.704725925e+00 3.86 -7.320391396e-01 -1.417134626e+00 -1.653358930e+00 3.88 -6.973983047e-01 -1.369198233e+00 -1.603219892e+00 3.90 -6.637328571e-01 -1.322268512e+00 -1.554261117e+00 3.92 -6.311108182e-01 -1.276288622e+00 -1.506446648e+00 3.94 -5.996056650e-01 -1.231207732e+00 -1.459750938e+00 3.96 -5.692879367e-01 -1.186981644e+00 -1.414157102e+00 3.98 -5.402164807e-01 -1.143573510e+00 -1.369655013e+00 4.00 -5.124305160e-01 -1.100954725e+00 -1.326239314e+00 4.02 -4.859436726e-01 -1.059106043e+00 -1.283907519e+00 4.04 -4.607408230e-01 -1.018018889e+00 -1.242658304e+00 4.06 -4.367780374e-01 -9.776967480e-01 -1.202490046e+00 4.08 -4.139854664e-01 -9.381564154e-01 -1.163399654e+00 4.10 -3.922725461e-01 -8.994288142e-01 -1.125381683e+00 4.12 -3.715346945e-01 -8.615590901e-01 -1.088427721e+00 4.14 -3.516606532e-01 -8.246055557e-01 -1.052526010e+00 4.16 -3.325397469e-01 -7.886374310e-01 -1.017661257e+00 4.18 -3.140685360e-01 -7.537311991e-01 -9.838146051e-01 4.20 -2.961565117e-01 -7.199657990e-01 -9.509636982e-01 4.22 -2.787306439e-01 -6.874170428e-01 -9.190828344e-01 4.24 -2.617386086e-01 -6.561518358e-01 -8.881431533e-01 4.26 -2.451506455e-01 -6.262228585e-01 -8.581128471e-01 4.28 -2.289599131e-01 -5.976643232e-01 -8.289573751e-01 4.30 -2.131813041e-01 -5.704892487e-01 -8.006396709e-01 4.32 -1.978487360e-01 -5.446884554e-01 -7.731203381e-01 4.34 -1.830110608e-01 -5.202312226e-01 -7.463578337e-01 4.36 -1.687268887e-01 -4.970673362e-01 -7.203086430e-01 4.38 -1.550587879e-01 -4.751301242e-01 -6.949274532e-01 4.40 -1.420673905e-01 -4.543400388e-01 -6.701673388e-01 4.42 -1.298060229e-01 -4.346083824e-01 -6.459799711e-01 4.44 -1.183163441e-01 -4.158408621e-01 -6.223158722e-01 4.46 -1.076253557e-01 -3.979407644e-01 -5.991247325e-01 4.48 -9.774393385e-02 -3.808116473e-01 -5.763558183e-01 4.50 -8.866682273e-02 -3.643595291e-01 -5.539584924e-01 4.52 -8.037386664e-02 -3.484946183e-01 -5.318828692e-01 4.54 -7.283215164e-02 -3.331326634e-01 -5.100806756e-01 4.56 -6.599869079e-02 -3.181960198e-01 -4.885062184e-01 4.58 -5.982332144e-02 -3.036145301e-01 -4.671176369e-01 4.60 -5.425153377e-02 -2.893263022e-01 -4.458783117e-01 4.62 -4.922703657e-02 -2.752784456e-01 -4.247584620e-01 4.64 -4.469394177e-02 -2.614277994e-01 -4.037368761e-01 4.66 -4.059851544e-02 -2.477416513e-01 -3.828026935e-01 4.68 -3.689049294e-02 -2.341984118e-01 -3.619571242e-01 4.70 -3.352398458e-02 -2.207881759e-01 -3.412149520e-01 4.72 -3.045802155e-02 -2.075130733e-01 -3.206056389e-01 4.74 -2.765679225e-02 -1.943872956e-01 -3.001738348e-01 4.76 -2.508948955e-02 -1.814366813e-01 -2.799791041e-01 4.78 -2.273021206e-02 -1.686977637e-01 -2.600947204e-01 4.80 -2.055792198e-02 -1.562162214e-01 -2.406054546e-01 4.82 -1.855544684e-02 -1.440447490e-01 -2.216043860e-01 4.84 -1.670892906e-02 -1.322403948e-01 -2.031888861e-01 4.86 -1.500722588e-02 -1.208615636e-01 -1.854560456e-01 4.88 -1.344129124e-02 -1.099648689e-01 -1.684979115e-01 4.90 -1.200358421e-02 -9.960209877e-02 -1.523969448e-01 4.92 -1.068754025e-02 -8.981754621e-02 -1.372221037e-01 4.94 -9.487130472e-03 -8.064591563e-02 -1.230258795e-01 4.96 -8.396515714e-03 -7.211095006e-02 -1.098424967e-01 4.98 -7.409848062e-03 -6.422483556e-02 -9.768734391e-02 5.00 -6.521124237e-03 -5.698835292e-02 -8.655756431e-02 5.02 -5.724134193e-03 -5.039167323e-02 -7.643361865e-02 5.04 -5.012484285e-03 -4.441564491e-02 -6.728156519e-02 5.06 -4.379953187e-03 -3.903339828e-02 -5.905577230e-02 5.08 -3.821683587e-03 -3.421209725e-02 -5.170179446e-02 5.10 -3.330228174e-03 -2.991469073e-02 -4.515918425e-02 5.12 -2.898337325e-03 -2.610154938e-02 -3.936407047e-02 5.14 -2.519491034e-03 -2.273190457e-02 -3.425139353e-02 5.16 -2.187801411e-03 -1.976506938e-02 -2.975674399e-02 5.18 -1.897941077e-03 -1.716140846e-02 -2.581779525e-02 5.20 -1.645090081e-03 -1.488305415e-02 -2.237535038e-02 5.22 -1.424894937e-03 -1.289440144e-02 -1.937404040e-02 5.24 -1.233434793e-03 -1.116300842e-02 -1.676279293e-02 5.26 -1.067191325e-03 -9.659539414e-03 -1.449497887e-02 5.28 -9.230202365e-04 -8.355861871e-03 -1.252841804e-02 5.30 -7.981233004e-04 -7.226290903e-03 -1.082569998e-02 5.32 -6.900205791e-04 -6.248230485e-03 -9.354838231e-03 5.34 -5.965228858e-04 -5.401889252e-03 -8.084354782e-03 5.36 -5.157047726e-04 -4.669939223e-03 -6.986994567e-03 5.38 -4.458784047e-04 -4.037224374e-03 -6.039264023e-03 5.40 -3.855686566e-04 -3.490506691e-03 -5.220855443e-03 5.42 -3.334897096e-04 -3.018241719e-03 -4.514194526e-03 5.44 -2.885233407e-04 -2.610378510e-03 -3.904065789e-03 5.46 -2.496990112e-04 -2.258180625e-03 -3.377296734e-03 5.48 -2.161757892e-04 -1.954065879e-03 -2.922487811e-03 5.50 -1.872260811e-04 -1.691463118e-03 -2.529779282e-03 5.52 -1.622211020e-04 -1.464684575e-03 -2.190648679e-03 5.54 -1.406179816e-04 -1.268812529e-03 -1.897733455e-03 5.56 -1.219483870e-04 -1.099599047e-03 -1.644680091e-03 5.58 -1.058085304e-04 -9.533776277e-04 -1.426004484e-03 5.60 -9.185042887e-05 -8.269856351e-04 -1.236978041e-03 5.62 -7.977428542e-05 -7.176964086e-04 -1.073524508e-03 5.64 -6.932186657e-05 -6.231600372e-04 -9.321310252e-04 5.66 -6.027076014e-05 -5.413518223e-04 -8.097708828e-04 5.68 -5.242940611e-05 -4.705275369e-04 -7.038365648e-04 5.70 -4.563280385e-05 -4.091846649e-04 -6.120817857e-04 5.72 -3.973880875e-05 -3.560288774e-04 -5.325713875e-04 5.74 -3.462494074e-05 -3.099450815e-04 -4.636380835e-04 5.76 -3.018563652e-05 -2.699724477e-04 -4.038451509e-04 5.78 -2.632988534e-05 -2.352828915e-04 -3.519542846e-04 5.80 -2.297919605e-05 -2.051625457e-04 -3.068979180e-04 5.82 -2.006584940e-05 -1.789958177e-04 -2.677554038e-04 5.84 -1.753139615e-05 -1.562516783e-04 -2.337325264e-04 5.86 -1.532536651e-05 -1.364718733e-04 -2.041438855e-04 5.88 -1.340416123e-05 -1.192607902e-04 -1.783977513e-04 5.90 -1.173009876e-05 -1.042767496e-04 -1.559830476e-04 5.92 -1.027059634e-05 -9.122452067e-05 -1.364581632e-04 5.94 -8.997466201e-06 -7.984888804e-05 -1.194413343e-04 5.96 -7.886310475e-06 -6.992912257e-05 -1.046023767e-04 5.98 -6.916000806e-06 -6.127422745e-05 -9.165557838e-05 6.00 -6.068230748e-06 -5.371885039e-05 -8.035358547e-05