# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Mendelev-M-I--Ni-Nb # implementation = 2022--Mendelev-M-I--Ni-Nb--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 nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 6.165630968e+04 nan 0.86 nan nan nan nan nan nan nan nan 5.523411493e+04 nan 0.88 nan nan nan nan nan nan nan nan 4.938684734e+04 nan 0.90 nan nan nan nan nan 3.412729329e+04 nan nan 4.405187013e+04 nan 0.92 nan nan nan nan nan 2.989746571e+04 nan nan 3.917456509e+04 nan 0.94 nan nan nan nan nan 2.602379006e+04 nan nan 3.470711881e+04 nan 0.96 nan nan nan nan nan 2.246983243e+04 nan nan 3.060754026e+04 nan 0.98 nan nan nan nan nan 1.920353073e+04 nan nan 2.683892460e+04 nan 1.00 nan nan nan nan nan 1.619658415e+04 nan nan 2.336877417e+04 nan 1.02 nan nan nan 6.677571898e+04 6.677554846e+04 1.342402131e+04 nan nan 2.016835234e+04 3.775237375e+04 1.04 nan 3.372572236e+04 nan 6.114604978e+04 6.114592113e+04 1.086360949e+04 3.469323546e+04 nan 1.721216444e+04 3.378548502e+04 1.06 nan 3.005716329e+04 nan 5.593650838e+04 5.593644395e+04 8.495622424e+03 3.097090618e+04 nan 1.447757446e+04 3.011503959e+04 1.08 nan 2.665794605e+04 nan 5.110873214e+04 5.110873426e+04 6.368710529e+03 2.752171784e+04 nan 1.194446047e+04 2.671402914e+04 1.10 nan 2.350389469e+04 nan 4.662850793e+04 4.662858067e+04 4.749511028e+03 2.432123910e+04 nan 9.594815946e+03 2.355830309e+04 1.12 nan 2.057340031e+04 nan 4.246540413e+04 4.246553678e+04 3.546493932e+03 2.134759427e+04 nan 7.412503097e+03 2.062634810e+04 1.14 nan 1.784709869e+04 nan 3.859195641e+04 3.859213502e+04 2.651502937e+03 1.858115648e+04 nan 5.585775048e+03 1.789887093e+04 1.16 3.498322649e+04 1.530759651e+04 2.950124898e+04 3.498341993e+04 3.498363442e+04 1.984952041e+03 1.600430818e+04 3.113301421e+04 4.212623685e+03 1.535849318e+04 1.18 3.161731822e+04 1.293927660e+04 2.641260580e+04 3.161759096e+04 3.161783334e+04 1.488162103e+03 1.360123860e+04 2.796201744e+04 3.179120943e+03 1.298958533e+04 1.20 2.847414654e+04 1.072805879e+04 2.352854490e+04 2.847448241e+04 2.847473658e+04 1.117723357e+03 1.135768754e+04 2.500094347e+04 2.400479838e+03 1.077810239e+04 1.22 2.553569573e+04 8.661247345e+03 2.083248278e+04 2.553603457e+04 2.553627148e+04 8.413394342e+02 9.260778119e+03 2.223280663e+04 1.813373028e+03 8.711348614e+03 1.24 2.278566366e+04 6.750401931e+03 1.830942094e+04 2.278591931e+04 2.278611104e+04 6.350174632e+02 7.299510653e+03 1.964221644e+04 1.370427217e+03 6.798179488e+03 1.26 2.020925579e+04 5.214185733e+03 1.594576198e+04 2.020937157e+04 2.020950208e+04 4.809113208e+02 5.646349801e+03 1.721521785e+04 1.036120328e+03 5.255601932e+03 1.28 1.779304519e+04 4.029065768e+03 1.372918721e+04 1.779301650e+04 1.779308300e+04 3.657335429e+02 4.369821597e+03 1.493916316e+04 7.837665928e+02 4.065179095e+03 1.30 1.552481789e+04 3.113904056e+03 1.164851820e+04 1.552469365e+04 1.552470792e+04 2.795876720e+02 3.383119630e+03 1.280258529e+04 5.933105367e+02 3.145583627e+03 1.32 1.339346420e+04 2.406648385e+03 9.693554983e+03 1.339332507e+04 1.339331449e+04 2.150958765e+02 2.619833183e+03 1.079504129e+04 4.495871182e+02 2.434631126e+03 1.34 1.138888816e+04 1.859743080e+03 7.854990514e+03 1.138881277e+04 1.138881038e+04 1.667537192e+02 2.028992689e+03 8.907025511e+03 3.411378070e+02 1.884657765e+03 1.36 9.501918213e+03 1.436658067e+03 6.205211041e+03 9.501955207e+03 9.501986966e+03 1.304451713e+02 1.571395159e+03 7.133645799e+03 2.593081948e+02 1.459082326e+03 1.38 7.724181403e+03 1.109280951e+03 4.897197997e+03 7.724341713e+03 7.724419970e+03 1.030908134e+02 1.216865754e+03 5.640434775e+03 1.975610924e+02 1.129748985e+03 1.40 6.138614511e+03 8.559426282e+02 3.865821742e+03 6.138841115e+03 6.138947051e+03 8.239042263e+01 9.421424434e+02 4.461313944e+03 1.509584458e+02 8.748635711e+02 1.42 4.877007994e+03 6.599140797e+02 3.051987909e+03 4.877227475e+03 4.877338751e+03 6.663457156e+01 7.292628212e+02 3.529444423e+03 1.157698481e+02 6.775887054e+02 1.44 3.875681131e+03 5.082671416e+02 2.409441265e+03 3.875849263e+03 3.875952133e+03 5.455298844e+01 5.643301289e+02 2.792461550e+03 8.917740327e+01 5.249038121e+02 1.46 3.080354538e+03 3.910055264e+02 1.901905595e+03 3.080456555e+03 3.080543749e+03 4.519734067e+01 4.365754862e+02 2.209270975e+03 6.905031616e+01 4.067349963e+02 1.48 2.448264038e+03 3.003895269e+02 1.500887919e+03 2.448302117e+03 2.448369801e+03 3.786281756e+01 3.376439110e+02 1.747569128e+03 5.377801021e+01 3.152892137e+02 1.50 1.945656462e+03 2.304143504e+02 1.183969625e+03 1.945643868e+03 1.945690067e+03 3.202855205e+01 2.610519575e+02 1.381925186e+03 4.214570945e+01 2.445319305e+02 1.52 1.545851210e+03 1.764167783e+02 9.334872160e+02 1.545809639e+03 1.545834335e+03 2.730972338e+01 2.017704029e+02 1.092293167e+03 3.324081338e+01 1.897878207e+02 1.54 1.227735923e+03 1.347782801e+02 7.355092287e+02 1.227688652e+03 1.227694658e+03 2.342245626e+01 1.559120216e+02 8.628543580e+02 2.637933749e+01 1.474366481e+02 1.56 9.745851663e+02 1.027001296e+02 5.790378663e+02 9.745516514e+02 9.745446205e+02 2.015751883e+01 1.204557674e+02 6.811119144e+02 2.105412783e+01 1.146716326e+02 1.58 7.731347527e+02 7.803838863e+01 4.553876872e+02 7.731260302e+02 7.731131926e+02 1.736155470e+01 9.304442730e+01 5.371809774e+02 1.688842839e+01 8.931269480e+01 1.60 6.128505511e+02 5.910174637e+01 3.577003815e+02 6.128687965e+02 6.128570834e+02 1.492425409e+01 7.184947292e+01 4.232326651e+02 1.358579829e+01 6.966769093e+01 1.62 4.853577142e+02 4.457134730e+01 2.805602101e+02 4.853963424e+02 4.853904776e+02 1.276913188e+01 5.545321893e+01 3.330609808e+02 1.092622615e+01 5.442879927e+01 1.64 3.839874700e+02 3.342373648e+01 2.196852765e+02 3.840347713e+02 3.840369314e+02 1.084321285e+01 4.275894405e+01 2.617412835e+02 8.748581623e+00 4.258650313e+01 1.66 3.034218836e+02 2.486729551e+01 1.716954403e+02 3.034673314e+02 3.034779822e+02 9.109956559e+00 3.291799255e+01 2.053625771e+02 6.934608185e+00 3.335749882e+01 1.68 2.394218160e+02 1.829205624e+01 1.339232915e+02 2.394585181e+02 2.394768886e+02 7.545694089e+00 2.527408949e+01 1.608189931e+02 5.397888403e+00 2.613610742e+01 1.70 1.886091205e+02 1.322842378e+01 1.042258033e+02 1.886332443e+02 1.886575420e+02 6.135147871e+00 1.932006634e+01 1.256445998e+02 4.075836089e+00 2.045681991e+01 1.72 1.482878405e+02 9.333815068e+00 8.090085881e+01 1.482985735e+02 1.483263554e+02 4.868844538e+00 1.466337087e+01 9.788090019e+01 2.922879048e+00 1.596277300e+01 1.74 1.163061831e+02 6.337896435e+00 6.259549698e+01 1.163055892e+02 1.163341702e+02 3.738265645e+00 1.099963051e+01 7.597420568e+01 1.905418856e+00 1.238029016e+01 1.76 9.094831248e+01 4.017718082e+00 4.823557583e+01 9.094018367e+01 9.096705483e+01 2.734006096e+00 8.095312069e+00 5.869390958e+01 9.993510243e-01 9.499327942e+00 1.78 7.084682634e+01 2.205474565e+00 3.697143518e+01 7.083672247e+01 7.086031030e+01 1.846347184e+00 5.773094486e+00 4.506740492e+01 1.891220809e-01 7.158683956e+00 1.80 5.491376662e+01 7.771719347e-01 2.813149116e+01 5.490884950e+01 5.492888594e+01 1.063391093e+00 3.899167311e+00 3.432746611e+01 -5.338913585e-01 5.234821515e+00 1.82 4.228745510e+01 -3.579025759e-01 2.118493049e+01 4.229391065e+01 4.231092629e+01 3.712141042e-01 2.377861307e+00 2.586955401e+01 -1.174269244e+00 3.634064246e+00 1.84 3.228930667e+01 -1.267409033e+00 1.571414932e+01 3.230887307e+01 3.232328274e+01 -2.438350728e-01 1.129724067e+00 1.921594790e+01 -1.735302330e+00 2.286651528e+00 1.86 2.438125816e+01 -2.002443799e+00 1.139349579e+01 2.441103684e+01 2.442298728e+01 -7.920163953e-01 9.342821871e-02 1.400091479e+01 -2.221864339e+00 1.140253055e+00 1.88 1.813352624e+01 -2.601950602e+00 7.971697129e+00 1.816812710e+01 1.817782564e+01 -1.280049728e+00 -7.763152240e-01 9.938783443e+00 -2.641030559e+00 1.553275390e-01 1.90 1.320263948e+01 -3.095960047e+00 5.255086532e+00 1.323612182e+01 1.324367069e+01 -1.711995506e+00 -1.512185744e+00 6.776285496e+00 -3.001630369e+00 -6.976208168e-01 1.92 9.342598907e+00 -3.504413205e+00 3.112694623e+00 9.369205711e+00 9.374112399e+00 -2.080536322e+00 -2.128561966e+00 4.321927659e+00 -3.305520183e+00 -1.425610281e+00 1.94 6.348785093e+00 -3.843797055e+00 1.438261987e+00 6.363886338e+00 6.365090077e+00 -2.383092406e+00 -2.638664172e+00 2.422229230e+00 -3.555980736e+00 -2.036246879e+00 1.96 4.028377286e+00 -4.129863637e+00 1.285499800e-01 4.029503873e+00 4.025965527e+00 -2.629668335e+00 -3.061741584e+00 9.468032653e-01 -3.762389191e+00 -2.548746513e+00 1.98 2.227331281e+00 -4.373459263e+00 -8.989887679e-01 2.214431385e+00 2.205441313e+00 -2.830720309e+00 -3.412346864e+00 -2.068807662e-01 -3.931531953e+00 -2.977058437e+00 2.00 8.231744690e-01 -4.581616532e+00 -1.710047892e+00 7.983234303e-01 7.836215792e-01 -2.996089461e+00 -3.702095489e+00 -1.118653553e+00 -4.068383758e+00 -3.332113084e+00 2.02 -2.799294466e-01 -4.758523912e+00 -2.355751451e+00 -3.133543601e-01 -3.335079374e-01 -3.132079804e+00 -3.940399799e+00 -1.849038193e+00 -4.177977411e+00 -3.623011890e+00 2.04 -1.155704600e+00 -4.907549434e+00 -2.875353105e+00 -1.193811486e+00 -1.218446203e+00 -3.241226666e+00 -4.135379926e+00 -2.442907622e+00 -4.265812216e+00 -3.858193116e+00 2.06 -1.860812249e+00 -5.032256329e+00 -3.299361509e+00 -1.899722225e+00 -1.927156480e+00 -3.324344031e+00 -4.295550049e+00 -2.933013362e+00 -4.337479046e+00 -4.047378999e+00 2.08 -2.438208221e+00 -5.136153409e+00 -3.651218599e+00 -2.474543601e+00 -2.502656446e+00 -3.383275308e+00 -4.429386635e+00 -3.343154497e+00 -4.397446896e+00 -4.201070318e+00 2.10 -2.919752695e+00 -5.222138650e+00 -3.948382238e+00 -2.950674019e+00 -2.977166079e+00 -3.421621019e+00 -4.544440300e+00 -3.690618598e+00 -4.446926845e+00 -4.329398591e+00 2.12 -3.328275258e+00 -5.291253423e+00 -4.203327876e+00 -3.351534002e+00 -3.374208225e+00 -3.443946662e+00 -4.645939078e+00 -3.987745066e+00 -4.484273230e+00 -4.440170596e+00 2.14 -3.679144120e+00 -5.343379505e+00 -4.424092208e+00 -3.693464495e+00 -3.710589810e+00 -3.454446409e+00 -4.736704855e+00 -4.242986696e+00 -4.506593866e+00 -4.537936809e+00 2.16 -3.981631386e+00 -5.378072567e+00 -4.615034756e+00 -3.987073619e+00 -3.997777513e+00 -3.455840022e+00 -4.817993054e+00 -4.461778276e+00 -4.512481212e+00 -4.623900102e+00 2.18 -4.241006798e+00 -5.395214931e+00 -4.778234267e+00 -4.238987171e+00 -4.243394119e+00 -3.449952166e+00 -4.889807458e+00 -4.647901902e+00 -4.502642509e+00 -4.696986964e+00 2.20 -4.461335764e+00 -5.396073172e+00 -4.914408937e+00 -4.454096404e+00 -4.453017101e+00 -3.437991319e+00 -4.951166887e+00 -4.804405176e+00 -4.479205143e+00 -4.756220949e+00 2.22 -4.646567160e+00 -5.383550377e+00 -5.024495796e+00 -4.636463156e+00 -4.631012070e+00 -3.420747998e+00 -5.001400824e+00 -4.933939176e+00 -4.444970416e+00 -4.802101870e+00 2.24 -4.800776141e+00 -5.361493420e+00 -5.110609120e+00 -4.789565667e+00 -4.780853874e+00 -3.398832016e+00 -5.040906434e+00 -5.039802482e+00 -4.402329156e+00 -4.836384982e+00 2.26 -4.927954236e+00 -5.333997739e+00 -5.175991199e+00 -4.916451849e+00 -4.905405587e+00 -3.372802413e+00 -5.071282922e+00 -5.125908415e+00 -4.353058391e+00 -4.861623155e+00 2.28 -5.031897219e+00 -5.304478809e+00 -5.224710746e+00 -5.020200171e+00 -5.007554939e+00 -3.343245150e+00 -5.094791913e+00 -5.196302585e+00 -4.298361409e+00 -4.880493225e+00 2.30 -5.116142619e+00 -5.274093516e+00 -5.260647789e+00 -5.104172603e+00 -5.090580839e+00 -3.310838017e+00 -5.112542142e+00 -5.254808219e+00 -4.239229880e+00 -4.894011767e+00 2.32 -5.184567737e+00 -5.241989006e+00 -5.287017406e+00 -5.172248218e+00 -5.158256078e+00 -3.276390677e+00 -5.123396050e+00 -5.304195478e+00 -4.176552261e+00 -4.901217098e+00 2.34 -5.241285817e+00 -5.206193267e+00 -5.306151323e+00 -5.228513994e+00 -5.214436908e+00 -3.240844379e+00 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