# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Zhou-X-W-Foster-M-E-Sills-R-B--Fe-Ni-Cr # implementation = 2018--Zhou-X-W--Fe-Ni-Cr--LAMMPS--ipr2 # composition = Cr # 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 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 8.192390506e+02 nan 0.74 nan nan nan nan nan nan nan nan 7.370353881e+02 nan 0.76 nan nan nan nan nan nan nan nan 6.640619249e+02 nan 0.78 nan nan nan nan nan 5.154282066e+02 nan nan 5.990449727e+02 nan 0.80 nan nan nan nan nan 4.658811256e+02 nan nan 5.410291330e+02 nan 0.82 nan nan nan nan nan 4.217450051e+02 nan nan 4.891626758e+02 nan 0.84 nan nan nan nan nan 3.822101979e+02 nan nan 4.427184413e+02 nan 0.86 nan nan nan nan nan 3.466893818e+02 nan nan 4.010750618e+02 nan 0.88 nan nan nan 8.396480918e+02 8.396725247e+02 3.148282314e+02 nan nan 3.636518364e+02 5.376987375e+02 0.90 nan 4.819119948e+02 nan 7.691209921e+02 7.691365714e+02 2.861837538e+02 4.959185707e+02 nan 3.299176570e+02 4.901093902e+02 0.92 nan 4.390209924e+02 nan 7.050803213e+02 7.050382250e+02 2.603662300e+02 4.521254596e+02 nan 2.995098065e+02 4.471113557e+02 0.94 nan 4.000560511e+02 nan 6.468907554e+02 6.468086971e+02 2.370229075e+02 4.124767432e+02 nan 2.721097884e+02 4.081816267e+02 0.96 nan 3.647575873e+02 nan 5.939488586e+02 5.939068369e+02 2.158629532e+02 3.765786238e+02 nan 2.473370100e+02 3.728582648e+02 0.98 nan 3.328315877e+02 nan 5.456974097e+02 5.457185384e+02 1.967132622e+02 3.440164269e+02 nan 2.248897724e+02 3.407802153e+02 1.00 nan 3.038385706e+02 4.448622505e+02 5.016816942e+02 5.017256995e+02 1.793805824e+02 3.144189475e+02 4.618798268e+02 2.045643627e+02 3.116636792e+02 1.02 4.615308661e+02 2.773849581e+02 4.084919996e+02 4.614871837e+02 4.615365869e+02 1.636297941e+02 2.875057425e+02 4.243489603e+02 1.861608837e+02 2.851506870e+02 1.04 4.247194726e+02 2.532347739e+02 3.752420477e+02 4.247175071e+02 4.247750647e+02 1.493461169e+02 2.630201087e+02 3.899467521e+02 1.694550893e+02 2.609704463e+02 1.06 3.909339467e+02 2.312257952e+02 3.448805766e+02 3.909869116e+02 3.910493258e+02 1.364507535e+02 2.406872319e+02 3.584217116e+02 1.542387083e+02 2.389496896e+02 1.08 3.598889281e+02 2.112101621e+02 3.170847091e+02 3.599832699e+02 3.600461227e+02 1.247583428e+02 2.202707800e+02 3.295973032e+02 1.403757557e+02 2.188711115e+02 1.10 3.314249684e+02 1.930303624e+02 2.915357137e+02 3.315356470e+02 3.315841281e+02 1.140859673e+02 2.015939071e+02 3.032979973e+02 1.277887307e+02 2.005158397e+02 1.12 3.054592085e+02 1.764682609e+02 2.680357387e+02 3.055184781e+02 3.055281427e+02 1.043221494e+02 1.845015203e+02 2.792679806e+02 1.163764594e+02 1.837137537e+02 1.14 2.817430008e+02 1.612998807e+02 2.464864768e+02 2.817071163e+02 2.816773108e+02 9.538690150e+01 1.688666492e+02 2.571979155e+02 1.059928359e+02 1.683125964e+02 1.16 2.599097114e+02 1.473802144e+02 2.267974934e+02 2.598179047e+02 2.597742105e+02 8.722561963e+01 1.545912797e+02 2.368526628e+02 9.650054880e+01 1.541697431e+02 1.18 2.397228641e+02 1.346159186e+02 2.087992727e+02 2.396367694e+02 2.395935502e+02 7.979168890e+01 1.415606846e+02 2.181018781e+02 8.780585441e+01 1.411897316e+02 1.20 2.210878359e+02 1.229122263e+02 1.922598210e+02 2.210269238e+02 2.209787000e+02 7.300629683e+01 1.296306938e+02 2.008336289e+02 7.985809383e+01 1.293275615e+02 1.22 2.039153433e+02 1.121693264e+02 1.769798560e+02 2.038725013e+02 2.038198517e+02 6.677615985e+01 1.186669855e+02 1.849193217e+02 7.262115333e+01 1.185098622e+02 1.24 1.880712729e+02 1.023032502e+02 1.628470536e+02 1.880520734e+02 1.880150710e+02 6.104153780e+01 1.085714088e+02 1.702467269e+02 6.603933162e+01 1.085931425e+02 1.26 1.734156845e+02 9.325759348e+01 1.498052656e+02 1.734380398e+02 1.734407114e+02 5.577970349e+01 9.927727874e+01 1.567229683e+02 6.003935710e+01 9.943705220e+01 1.28 1.598506898e+02 8.499101614e+01 1.377999443e+02 1.599193910e+02 1.599681739e+02 5.097395321e+01 9.073241926e+01 1.442588627e+02 5.455247779e+01 9.097492421e+01 1.30 1.473339701e+02 7.745187269e+01 1.267526012e+02 1.474294056e+02 1.475078224e+02 4.658931338e+01 8.288100209e+01 1.327810685e+02 4.952665406e+01 8.320374553e+01 1.32 1.358388083e+02 7.056748151e+01 1.165714178e+02 1.359269485e+02 1.360062553e+02 4.257616676e+01 7.566554939e+01 1.222283844e+02 4.492871721e+01 7.612374759e+01 1.34 1.252909965e+02 6.425752087e+01 1.071752639e+02 1.253439227e+02 1.254008760e+02 3.889001234e+01 6.904225117e+01 1.125180284e+02 4.073290839e+01 6.967957451e+01 1.36 1.155658976e+02 5.845360969e+01 9.850115437e+01 1.155769431e+02 1.156056115e+02 3.549979858e+01 6.297543967e+01 1.035458397e+02 3.690467397e+01 6.376793426e+01 1.38 1.065468499e+02 5.310641570e+01 9.049443261e+01 1.065288304e+02 1.065374244e+02 3.238228655e+01 5.742355156e+01 9.522512747e+01 3.340224394e+01 5.829967745e+01 1.40 9.815920153e+01 4.817992510e+01 8.309962584e+01 9.813247364e+01 9.813308161e+01 2.951616321e+01 5.234212816e+01 8.750661488e+01 3.018985232e+01 5.323007363e+01 1.42 9.035892660e+01 4.364420079e+01 7.626024503e+01 9.034096678e+01 9.034275010e+01 2.687984586e+01 4.768612099e+01 8.036424059e+01 2.724156403e+01 4.854001777e+01 1.44 8.311861198e+01 3.947374883e+01 6.992422039e+01 8.311724223e+01 8.312284540e+01 2.445044803e+01 4.340475690e+01 7.377203777e+01 2.453586219e+01 4.421575975e+01 1.46 7.642093929e+01 3.564646139e+01 6.404748169e+01 7.643107051e+01 7.643454882e+01 2.220424041e+01 3.944930624e+01 6.769237606e+01 2.205231541e+01 4.024332033e+01 1.48 7.024422307e+01 3.213711906e+01 5.859399805e+01 7.025171869e+01 7.024168961e+01 2.012111343e+01 3.578819097e+01 6.207963603e+01 1.977291458e+01 3.660382078e+01 1.50 6.454848815e+01 2.891261550e+01 5.353971689e+01 6.454135537e+01 6.451064222e+01 1.819186151e+01 3.240804810e+01 5.688937579e+01 1.768368153e+01 3.326878646e+01 1.52 5.928141867e+01 2.593960453e+01 4.887747828e+01 5.925973471e+01 5.921384122e+01 1.641972410e+01 2.930154215e+01 5.208287098e+01 1.577291586e+01 3.020427198e+01 1.54 5.439663049e+01 2.319825579e+01 4.460496832e+01 5.437171380e+01 5.432693090e+01 1.480917052e+01 2.645582178e+01 4.762665860e+01 1.402720948e+01 2.738045009e+01 1.56 4.986143646e+01 2.068416363e+01 4.069979610e+01 4.984550363e+01 4.981779766e+01 1.335110964e+01 2.384955644e+01 4.349069359e+01 1.242999708e+01 2.477558809e+01 1.58 4.565004143e+01 1.839460569e+01 3.711417031e+01 4.564736578e+01 4.564296336e+01 1.202205028e+01 2.145793446e+01 3.964801435e+01 1.096479889e+01 2.237262495e+01 1.60 4.173520951e+01 1.631552547e+01 3.379760599e+01 4.174248808e+01 4.175792397e+01 1.079760863e+01 1.925906292e+01 3.607702554e+01 9.619605438e+00 2.015488514e+01 1.62 3.808784979e+01 1.442296798e+01 3.071762992e+01 3.810049350e+01 3.812897270e+01 9.663279655e+00 1.723600963e+01 3.276411012e+01 8.387651265e+00 1.810534220e+01 1.64 3.468476525e+01 1.269307452e+01 2.785844997e+01 3.470122217e+01 3.473747439e+01 8.613165981e+00 1.537493799e+01 2.970310709e+01 7.263893158e+00 1.620923972e+01 1.66 3.151800950e+01 1.110780471e+01 2.520889074e+01 3.153891529e+01 3.157924967e+01 7.643253374e+00 1.366290398e+01 2.689064793e+01 6.240857323e+00 1.445738224e+01 1.68 2.859471092e+01 9.654330108e+00 2.275519437e+01 2.861955891e+01 2.865957757e+01 6.747294815e+00 1.208700721e+01 2.431885291e+01 5.307778306e+00 1.284617608e+01 1.70 2.592201886e+01 8.322994680e+00 2.048078869e+01 2.594742527e+01 2.598116422e+01 5.916521087e+00 1.063462851e+01 2.196938651e+01 4.453111253e+00 1.137259896e+01 1.72 2.348887554e+01 7.105647792e+00 1.836911996e+01 2.350991247e+01 2.353162602e+01 5.141659525e+00 9.294354854e+00 1.981447204e+01 3.667468377e+00 1.002803599e+01 1.74 2.126351819e+01 5.994119868e+00 1.640746207e+01 2.127636127e+01 2.128311339e+01 4.416438463e+00 8.057304975e+00 1.782551086e+01 2.945087005e+00 8.797381482e+00 1.76 1.920896869e+01 4.979620066e+00 1.459010887e+01 1.921238615e+01 1.920508013e+01 3.740910321e+00 6.917935264e+00 1.598168566e+01 2.284028243e+00 7.664249863e+00 1.78 1.729930718e+01 4.053259967e+00 1.291780401e+01 1.729431299e+01 1.727669049e+01 3.121129396e+00 5.873106436e+00 1.427123365e+01 1.685062069e+00 6.616563980e+00 1.80 1.552264167e+01 3.206712951e+00 1.139183045e+01 1.551130554e+01 1.548810511e+01 2.563630228e+00 4.919454463e+00 1.268677111e+01 1.148681234e+00 5.647721204e+00 1.82 1.387378268e+01 2.432441149e+00 1.000663408e+01 1.385823824e+01 1.383367815e+01 2.068795383e+00 4.051045209e+00 1.122081083e+01 6.714562937e-01 4.754208812e+00 1.84 1.234708294e+01 1.723748406e+00 8.747632822e+00 1.232909469e+01 1.230610662e+01 1.627556078e+00 3.259327433e+00 9.864542389e+00 2.447541915e-01 3.933073704e+00 1.86 1.093432175e+01 1.074899170e+00 7.596071394e+00 1.091534781e+01 1.089553313e+01 1.226930889e+00 2.535076414e+00 8.608807463e+00 -1.424716349e-01 3.180885904e+00 1.88 9.625963062e+00 4.812018266e-01 6.535806587e+00 9.607450931e+00 9.591505997e+00 8.569288947e-01 1.870199261e+00 7.445389524e+00 -4.989161709e-01 2.493713529e+00 1.90 8.412881189e+00 -6.108222390e-02 5.556245615e+00 8.396443092e+00 8.384662187e+00 5.133055346e-01 1.258140452e+00 6.367760510e+00 -8.292251221e-01 1.867236566e+00 1.92 7.287220243e+00 -5.549920636e-01 4.650853688e+00 7.274503062e+00 7.267073463e+00 1.957207572e-01 6.936370752e-01 5.371104315e+00 -1.133036564e+00 1.296632231e+00 1.94 6.242377140e+00 -1.003163891e+00 3.814482301e+00 6.234735924e+00 6.231799031e+00 -9.534835048e-02 1.730796803e-01 4.451631013e+00 -1.406784680e+00 7.763264074e-01 1.96 5.272600137e+00 -1.408067211e+00 3.042033855e+00 5.270818994e+00 5.272428906e+00 -3.602916290e-01 -3.046011766e-01 3.605474696e+00 -1.646730558e+00 2.999689591e-01 1.98 4.372755936e+00 -1.772144079e+00 2.328536384e+00 4.376965074e+00 4.383047784e+00 -6.004603916e-01 -7.379120043e-01 2.827913732e+00 -1.851870411e+00 -1.389109094e-01 2.00 3.538613713e+00 -2.097868731e+00 1.669623424e+00 3.548379636e+00 3.558706067e+00 -8.176418922e-01 -1.124648568e+00 2.113607953e+00 -2.025178971e+00 -5.453550813e-01 2.02 2.767471471e+00 -2.387682638e+00 1.061743068e+00 2.781957327e+00 2.796107479e+00 -1.013629146e+00 -1.464802819e+00 1.457746231e+00 -2.172456880e+00 -9.211054917e-01 2.04 2.058414724e+00 -2.643417253e+00 5.020148814e-01 2.076518120e+00 2.093833703e+00 -1.190033411e+00 -1.762158350e+00 8.570805269e-01 -2.299794698e+00 -1.263544208e+00 2.06 1.411502868e+00 -2.867461987e+00 -1.206993655e-02 1.431944862e+00 1.451496692e+00 -1.348198215e+00 -2.022957516e+00 3.098012031e-01 -2.411567493e+00 -1.567195134e+00 2.08 8.259867224e-01 -3.062428029e+00 -4.829346732e-01 8.473748152e-01 8.679811255e-01 -1.489366941e+00 -2.254320631e+00 -1.857756010e-01 -2.510023798e+00 -1.828404843e+00 2.10 2.986747922e-01 -3.230968690e+00 -9.130818751e-01 3.195766334e-01 3.398903259e-01 -1.614793141e+00 -2.461393301e+00 -6.326458438e-01 -2.595979328e+00 -2.048158454e+00 2.12 -1.763180857e-01 -3.375724661e+00 -1.305128681e+00 -1.572694441e-01 -1.386142454e-01 -1.725762724e+00 -2.646673314e+00 -1.035525927e+00 -2.669743116e+00 -2.232659461e+00 2.14 -6.062545436e-01 -3.499244116e+00 -1.661746579e+00 -5.902324581e-01 -5.744486313e-01 -1.823460852e+00 -2.810947441e+00 -1.400025079e+00 -2.731757865e+00 -2.390790616e+00 2.16 -9.979189239e-01 -3.603900635e+00 -1.985559264e+00 -9.857817431e-01 -9.737763559e-01 -1.908902377e+00 -2.954586626e+00 -1.731346688e+00 -2.782729353e+00 -2.530518460e+00 2.18 -1.356459515e+00 -3.691841521e+00 -2.279045941e+00 -1.348669866e+00 -1.340947496e+00 -1.983039678e+00 -3.078364223e+00 -2.033457990e+00 -2.823508983e+00 -2.656725013e+00 2.20 -1.685325451e+00 -3.764987824e+00 -2.544423215e+00 -1.681937060e+00 -1.678580406e+00 -2.046729043e+00 -3.183681257e+00 -2.309045286e+00 -2.854889630e+00 -2.771284201e+00 2.22 -1.986864375e+00 -3.825090610e+00 -2.783120716e+00 -1.987574253e+00 -1.988298008e+00 -2.100715314e+00 -3.272435538e+00 -2.559864175e+00 -2.877763470e+00 -2.874429279e+00 2.24 -2.262906373e+00 -3.873813636e+00 -2.996726949e+00 -2.267159495e+00 -2.271418252e+00 -2.145643237e+00 -3.346729280e+00 -2.786723257e+00 -2.893139567e+00 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