# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Beland-L-K-Tamm-A-Mu-S-et-al--Fe-Ni-Cr # implementation = 2017--Beland-L-K--Fe-Ni-Cr--LAMMPS--ipr1 # composition = Ni # 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 9.308589869e+02 nan 0.74 nan nan nan nan nan nan nan nan 8.112889320e+02 nan 0.76 nan nan nan nan nan nan nan nan 7.092432132e+02 nan 0.78 nan nan nan nan nan 6.100947890e+02 nan nan 6.224201579e+02 nan 0.80 nan nan nan nan nan 5.449365250e+02 nan nan 5.488181473e+02 nan 0.82 nan nan nan nan nan 4.881615902e+02 nan nan 4.863768841e+02 nan 0.84 nan nan nan nan nan 4.389206042e+02 nan nan 4.332594077e+02 nan 0.86 nan nan nan nan nan 3.964332391e+02 nan nan 3.879861709e+02 nan 0.88 nan nan nan 8.448028377e+02 8.443720578e+02 3.597601878e+02 nan nan 3.494548444e+02 5.089178752e+02 0.90 nan 4.144533841e+02 nan 7.503549113e+02 7.506298360e+02 3.280691506e+02 4.465255641e+02 nan 3.167402409e+02 4.548302097e+02 0.92 nan 3.695426662e+02 nan 6.681242928e+02 6.690255380e+02 3.005878077e+02 3.983842917e+02 nan 2.889962923e+02 4.088939329e+02 0.94 nan 3.313079269e+02 nan 5.965711698e+02 5.978287050e+02 2.766343410e+02 3.573784765e+02 nan 2.653547964e+02 3.696458697e+02 0.96 nan 2.987425272e+02 nan 5.342911437e+02 5.355359689e+02 2.551418938e+02 3.227286960e+02 nan 2.450792924e+02 3.361503600e+02 0.98 nan 2.707936336e+02 nan 4.798905573e+02 4.808329721e+02 2.341314621e+02 2.935679906e+02 4.327089704e+02 2.275648487e+02 3.074856549e+02 1.00 4.314853542e+02 2.466282808e+02 3.709775517e+02 4.320178675e+02 4.324935631e+02 2.139104840e+02 2.690087096e+02 3.897347653e+02 2.120673780e+02 2.826599356e+02 1.02 3.894722493e+02 2.256795714e+02 3.335768852e+02 3.895460186e+02 3.895501588e+02 1.948054435e+02 2.482196516e+02 3.518529341e+02 1.962782215e+02 2.607013663e+02 1.04 3.522683777e+02 2.076127336e+02 3.010625398e+02 3.519112424e+02 3.515154542e+02 1.770217681e+02 2.303969332e+02 3.185046380e+02 1.803791318e+02 2.412313062e+02 1.06 3.194192983e+02 1.921624979e+02 2.731304794e+02 3.187230420e+02 3.180225280e+02 1.606305418e+02 2.149254378e+02 2.892202862e+02 1.649510737e+02 2.240750116e+02 1.08 2.905120370e+02 1.791071156e+02 2.495060700e+02 2.896078373e+02 2.887444712e+02 1.456107995e+02 2.014198489e+02 2.635542839e+02 1.503054979e+02 2.089675656e+02 1.10 2.650860817e+02 1.682347893e+02 2.297023980e+02 2.641931981e+02 2.633444509e+02 1.318210379e+02 1.895625949e+02 2.410995979e+02 1.365944048e+02 1.954884634e+02 1.12 2.427946371e+02 1.588760395e+02 2.131490522e+02 2.421184042e+02 2.414532296e+02 1.190845244e+02 1.776141179e+02 2.215926825e+02 1.238731464e+02 1.819319189e+02 1.14 2.233401582e+02 1.492523759e+02 1.991958826e+02 2.229914445e+02 2.226303858e+02 1.073407157e+02 1.650482756e+02 2.048440563e+02 1.121554791e+02 1.684069796e+02 1.16 2.065240485e+02 1.393492344e+02 1.872788166e+02 2.065271508e+02 2.065138192e+02 9.657447925e+01 1.524658241e+02 1.906740825e+02 1.014231497e+02 1.553271089e+02 1.18 1.922296630e+02 1.292648049e+02 1.769631652e+02 1.925142973e+02 1.927853032e+02 8.679204271e+01 1.402628063e+02 1.789180646e+02 9.162003348e+01 1.429148817e+02 1.20 1.803217205e+02 1.191531798e+02 1.679586791e+02 1.807597691e+02 1.811833390e+02 7.797397703e+01 1.286783858e+02 1.693509869e+02 8.267887110e+01 1.312714117e+02 1.22 1.706154289e+02 1.092019609e+02 1.592928709e+02 1.710755522e+02 1.715291615e+02 7.004357404e+01 1.178268169e+02 1.616396954e+02 7.452970069e+01 1.203953494e+02 1.24 1.628370503e+02 9.957549965e+01 1.499777266e+02 1.632164600e+02 1.636066607e+02 6.290234738e+01 1.077341105e+02 1.539620354e+02 6.710303395e+01 1.102456592e+02 1.26 1.556104189e+02 9.041275147e+01 1.404274050e+02 1.558027845e+02 1.560095862e+02 5.644412724e+01 9.839372071e+01 1.454354563e+02 6.033980044e+01 1.007845335e+02 1.28 1.475059650e+02 8.181397693e+01 1.308925194e+02 1.475539361e+02 1.476114600e+02 5.055691357e+01 8.977514362e+01 1.363081800e+02 5.417313280e+01 9.196451586e+01 1.30 1.387091982e+02 7.382572196e+01 1.214781616e+02 1.386675245e+02 1.386336964e+02 4.511945763e+01 8.181625234e+01 1.268952781e+02 4.851135174e+01 8.375192913e+01 1.32 1.295031893e+02 6.646482265e+01 1.122391370e+02 1.294204665e+02 1.293454476e+02 4.009123280e+01 7.446542414e+01 1.174993445e+02 4.329815705e+01 7.613717419e+01 1.34 1.202317257e+02 5.972771082e+01 1.032727032e+02 1.201417981e+02 1.200569718e+02 3.548558461e+01 6.768350443e+01 1.083504819e+02 3.851535065e+01 6.911245006e+01 1.36 1.111562566e+02 5.359174816e+01 9.468345853e+01 1.110759371e+02 1.109979779e+02 3.131435494e+01 6.143001557e+01 9.959734086e+01 3.414620588e+01 6.266156427e+01 1.38 1.024379080e+02 4.802451004e+01 8.655900807e+01 1.023749989e+02 1.023118344e+02 2.758072757e+01 5.566502944e+01 9.132242120e+01 3.017424148e+01 5.675032048e+01 1.40 9.416190190e+01 4.298810674e+01 7.896611291e+01 9.412351049e+01 9.408111891e+01 2.427250767e+01 5.035100413e+01 8.355697921e+01 2.657113352e+01 5.133756809e+01 1.42 8.637154296e+01 3.844056756e+01 7.192373068e+01 8.636401722e+01 8.634686969e+01 2.135020071e+01 4.544154137e+01 7.630957178e+01 2.328828926e+01 4.638153468e+01 1.44 7.908847640e+01 3.433805897e+01 6.542159997e+01 7.911195867e+01 7.912082852e+01 1.877071469e+01 4.087449207e+01 6.957780927e+01 2.030147167e+01 4.183749156e+01 1.46 7.231525239e+01 3.063855326e+01 5.943608948e+01 7.236281893e+01 7.239452967e+01 1.649204718e+01 3.660816360e+01 6.334388139e+01 1.759623194e+01 3.765968348e+01 1.48 6.602610264e+01 2.729784222e+01 5.392890267e+01 6.608466378e+01 6.613222938e+01 1.447121267e+01 3.263768731e+01 5.757650440e+01 1.515666348e+01 3.378630320e+01 1.50 6.017329583e+01 2.427398285e+01 4.885729083e+01 6.022961036e+01 6.028366901e+01 1.266817800e+01 2.896239196e+01 5.224021260e+01 1.296979493e+01 3.014880728e+01 1.52 5.472801505e+01 2.153064861e+01 4.419123406e+01 5.477333511e+01 5.482542232e+01 1.105350191e+01 2.558350158e+01 4.731221811e+01 1.102302303e+01 2.673266617e+01 1.54 4.967930899e+01 1.903628411e+01 3.991149978e+01 4.970919083e+01 4.975325649e+01 9.608150490e+00 2.250400269e+01 4.277324106e+01 9.299260855e+00 2.355059208e+01 1.56 4.501425814e+01 1.676703213e+01 3.599437548e+01 4.502919570e+01 4.506189031e+01 8.316027046e+00 1.971596120e+01 3.860202416e+01 7.778792745e+00 2.061507830e+01 1.58 4.071792439e+01 1.470079896e+01 3.241165305e+01 4.072121148e+01 4.074122758e+01 7.160802789e+00 1.719614735e+01 3.477535048e+01 6.439576040e+00 1.793563970e+01 1.60 3.677606973e+01 1.281406496e+01 2.913826847e+01 3.677102555e+01 3.677851933e+01 6.126280605e+00 1.492011992e+01 3.126989855e+01 5.259932009e+00 1.551805959e+01 1.62 3.316598391e+01 1.108564184e+01 2.615017270e+01 3.315606321e+01 3.315253104e+01 5.198917547e+00 1.286527691e+01 2.806060433e+01 4.222139213e+00 1.335311636e+01 1.64 2.985676581e+01 9.498574772e+00 2.342324082e+01 2.984581561e+01 2.983402828e+01 4.367602166e+00 1.101060495e+01 2.511958774e+01 3.311637730e+00 1.141734405e+01 1.66 2.681882133e+01 8.041186718e+00 2.093494462e+01 2.681020962e+01 2.679393146e+01 3.620617463e+00 9.336410920e+00 2.242423071e+01 2.514274368e+00 9.687400132e+00 1.68 2.403058038e+01 6.704250407e+00 1.866360177e+01 2.402647744e+01 2.400990594e+01 2.946972983e+00 7.820662894e+00 1.995496904e+01 1.816207582e+00 8.143791909e+00 1.70 2.147180490e+01 5.476854469e+00 1.658694984e+01 2.147376684e+01 2.146098804e+01 2.337146701e+00 6.444891829e+00 1.769194920e+01 1.200989239e+00 6.767098452e+00 1.72 1.912296467e+01 4.343137128e+00 1.468407289e+01 1.913179778e+01 1.912597769e+01 1.782772725e+00 5.201628456e+00 1.561616824e+01 6.517763290e-01 5.538790501e+00 1.74 1.696692565e+01 3.293587536e+00 1.293531286e+01 1.698191736e+01 1.698450599e+01 1.275754917e+00 4.084195141e+00 1.371027970e+01 1.581693078e-01 4.444144134e+00 1.76 1.498828465e+01 2.328564335e+00 1.132298840e+01 1.500682613e+01 1.501740635e+01 8.092187052e-01 3.084836706e+00 1.195852831e+01 -2.871894623e-01 3.471709936e+00 1.78 1.317133985e+01 1.447609517e+00 9.832555043e+00 1.319038931e+01 1.320733303e+01 3.792764039e-01 2.196278901e+00 1.034906540e+01 -6.894815806e-01 2.610252293e+00 1.80 1.149933166e+01 6.496658419e-01 8.447070705e+00 1.151673150e+01 1.153790872e+01 -1.789233180e-02 1.411223669e+00 8.872203718e+00 -1.053287538e+00 1.846076749e+00 1.82 9.957653547e+00 -6.653796238e-02 7.145543089e+00 9.972292623e+00 9.995367708e+00 -3.860969681e-01 7.212350605e-01 7.519168729e+00 -1.383028225e+00 1.165214822e+00 1.84 8.538909613e+00 -7.018920664e-01 5.917388611e+00 8.550794012e+00 8.573589990e+00 -7.261775815e-01 1.166908750e-01 6.284213628e+00 -1.681545051e+00 5.586053573e-01 1.86 7.238175403e+00 -1.261028485e+00 4.766197098e+00 7.247483118e+00 7.268013758e+00 -1.037135373e+00 -4.119572531e-01 5.162019166e+00 -1.951305891e+00 2.020560310e-02 1.88 6.049732068e+00 -1.756119669e+00 3.696417709e+00 6.056730333e+00 6.073457921e+00 -1.318281199e+00 -8.739005726e-01 4.144851553e+00 -2.194990711e+00 -4.561100607e-01 1.90 4.968115121e+00 -2.196350666e+00 2.711466506e+00 4.973011722e+00 4.984981265e+00 -1.570392447e+00 -1.277765943e+00 3.224939859e+00 -2.415043731e+00 -8.765039748e-01 1.92 3.988251294e+00 -2.582881976e+00 1.813406037e+00 3.991102190e+00 3.997775013e+00 -1.795358878e+00 -1.631433541e+00 2.395514551e+00 -2.613198256e+00 -1.246611380e+00 1.94 3.102459189e+00 -2.917592148e+00 1.001231328e+00 3.103208602e+00 3.104339034e+00 -1.995792771e+00 -1.942304960e+00 1.649394908e+00 -2.790199909e+00 -1.572621256e+00 1.96 2.302981913e+00 -3.203226846e+00 2.734445538e-01 2.301304366e+00 2.296854079e+00 -2.172900983e+00 -2.217073367e+00 9.792613611e-01 -2.946273273e+00 -1.860024372e+00 1.98 1.582831286e+00 -3.443634508e+00 -3.736402142e-01 1.578050164e+00 1.568117154e+00 -2.327511610e+00 -2.461727412e+00 3.778605505e-01 -3.081598855e+00 -2.113740171e+00 2.00 9.355210345e-01 -3.643488332e+00 -9.455428967e-01 9.265278597e-01 9.113404500e-01 -2.461192288e+00 -2.680186623e+00 -1.623173632e-01 -3.196850033e+00 -2.338622259e+00 2.02 3.535526183e-01 -3.807416276e+00 -1.446698301e+00 3.393589050e-01 3.194355152e-01 -2.575139094e+00 -2.873731387e+00 -6.529882412e-01 -3.293381655e+00 -2.539096239e+00 2.04 -1.707674880e-01 -3.939826366e+00 -1.880731534e+00 -1.902749536e-01 -2.139277567e-01 -2.670353109e+00 -3.043362966e+00 -1.108217770e+00 -3.372548029e+00 -2.717922683e+00 2.06 -6.444565061e-01 -4.044550728e+00 -2.251685437e+00 -6.681602312e-01 -6.940362614e-01 -2.747831458e+00 -3.189995130e+00 -1.534346872e+00 -3.435424581e+00 -2.876052463e+00 2.08 -1.078551802e+00 -4.125702324e+00 -2.568781456e+00 -1.104605522e+00 -1.131059243e+00 -2.810428371e+00 -3.316658642e+00 -1.929177736e+00 -3.484376400e+00 -3.016973156e+00 2.10 -1.487148585e+00 -4.187927386e+00 -2.844994832e+00 -1.513600435e+00 -1.539192860e+00 -2.862800842e+00 -3.428453265e+00 -2.292934134e+00 -3.523201497e+00 -3.146796130e+00 2.12 -1.877470305e+00 -4.234716170e+00 -3.089697340e+00 -1.902488135e+00 -1.926069887e+00 -2.908343136e+00 -3.529298950e+00 -2.625905680e+00 -3.554537075e+00 -3.269104026e+00 2.14 -2.243839263e+00 -4.267972385e+00 -3.304220419e+00 -2.265766191e+00 -2.286347704e+00 -2.947545197e+00 -3.619809015e+00 -2.925640812e+00 -3.578032587e+00 -3.382151227e+00 2.16 -2.581092893e+00 -4.289389247e+00 -3.490056141e+00 -2.598826560e+00 -2.615599536e+00 -2.981211024e+00 -3.700652857e+00 -3.191053251e+00 -3.593250432e+00 -3.484257245e+00 2.18 -2.885988918e+00 -4.300211680e+00 -3.649531154e+00 -2.898987856e+00 -2.911368088e+00 -3.010086212e+00 -3.772368365e+00 -3.422638144e+00 -3.600183878e+00 -3.574798854e+00 2.20 -3.157131491e+00 -4.301489061e+00 -3.784712166e+00 -3.165092324e+00 -3.172660867e+00 -3.034317788e+00 -3.835384752e+00 -3.621965941e+00 -3.599057201e+00 -3.654172590e+00 2.22 -3.394721484e+00 -4.293866283e+00 -3.897527375e+00 -3.397343327e+00 -3.399749257e+00 -3.053881234e+00 -3.890459265e+00 -3.791595689e+00 -3.590418085e+00 -3.723591168e+00 2.24 -3.600119866e+00 -4.277625868e+00 -3.990170896e+00 -3.597214823e+00 -3.594222690e+00 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