# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Cr-Mn # implementation = 2025--Sharifi-H--Cu-Cr-Mn--LAMMPS--ipr1 # composition = Cu # 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 2025-07-01 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 8.068896711e+02 nan nan nan nan 0.80 nan nan nan nan nan 7.299363344e+02 nan nan nan nan 0.82 nan nan nan nan nan 6.617520566e+02 nan nan 8.009612207e+02 nan 0.84 nan nan nan nan nan 6.012118274e+02 nan nan 7.223876142e+02 nan 0.86 nan nan nan nan nan 5.473294693e+02 nan nan 6.527162867e+02 nan 0.88 nan nan nan nan nan 4.992478563e+02 nan nan 5.894198258e+02 nan 0.90 nan 8.920189309e+02 nan nan nan 4.562263064e+02 nan nan 5.316155508e+02 7.880942825e+02 0.92 nan 8.103885760e+02 nan nan nan 4.176270968e+02 7.749382631e+02 nan 4.792231394e+02 7.156306776e+02 0.94 nan 7.352631326e+02 nan nan nan 3.829022331e+02 7.021831318e+02 nan 4.319998817e+02 6.509118961e+02 0.96 nan 6.650009475e+02 nan nan nan 3.515811604e+02 6.367246565e+02 nan 3.896083066e+02 5.930806744e+02 0.98 nan 5.980336953e+02 8.928024558e+02 nan nan 3.232597057e+02 5.779524495e+02 nan 3.516629126e+02 5.413527149e+02 1.00 nan 5.353712645e+02 8.161352282e+02 nan 8.997186379e+02 2.975902851e+02 5.251694976e+02 8.329642706e+02 3.177617458e+02 4.950202436e+02 1.02 8.316355357e+02 4.775662844e+02 7.457709285e+02 8.316608903e+02 8.316862665e+02 2.742734154e+02 4.769797776e+02 7.694594700e+02 2.875071445e+02 4.534510239e+02 1.04 7.695057449e+02 4.248307695e+02 6.814623693e+02 7.695284892e+02 7.695512544e+02 2.530504218e+02 4.329662974e+02 7.095920554e+02 2.605188011e+02 4.160845645e+02 1.06 7.122893635e+02 3.770920008e+02 6.226089460e+02 7.123099795e+02 7.123306156e+02 2.335634581e+02 3.928131397e+02 6.511064392e+02 2.363411018e+02 3.822261187e+02 1.08 6.551674416e+02 3.336337709e+02 5.659616202e+02 6.551863120e+02 6.552052017e+02 2.141842386e+02 3.548483907e+02 5.935347657e+02 2.135725672e+02 3.492915987e+02 1.10 5.983284854e+02 2.942602910e+02 5.115500081e+02 5.983459118e+02 5.983633568e+02 1.949597948e+02 3.190202504e+02 5.377231066e+02 1.920799585e+02 3.172267267e+02 1.12 5.431567495e+02 2.588622229e+02 4.601641694e+02 5.431729674e+02 5.431892033e+02 1.763399116e+02 2.856467463e+02 4.846318109e+02 1.720466854e+02 2.865982802e+02 1.14 4.905816980e+02 2.272407919e+02 4.122708165e+02 4.905968897e+02 4.906120987e+02 1.586257042e+02 2.548799688e+02 4.348582926e+02 1.535603301e+02 2.577659291e+02 1.16 4.411894825e+02 1.991431150e+02 3.680993959e+02 4.412037876e+02 4.412181093e+02 1.420060560e+02 2.267532744e+02 3.887306625e+02 1.366399087e+02 2.309352232e+02 1.18 3.953096843e+02 1.742877035e+02 3.277080743e+02 3.953232084e+02 3.953367484e+02 1.265859812e+02 2.012170166e+02 3.463801239e+02 1.212564215e+02 2.061984320e+02 1.20 3.530829024e+02 1.523825842e+02 2.910342709e+02 3.530957240e+02 3.531085611e+02 1.124087379e+02 1.781655244e+02 3.077967741e+02 1.073483518e+02 1.835660612e+02 1.22 3.145131548e+02 1.331378833e+02 2.579330898e+02 3.145253323e+02 3.145375245e+02 9.947298015e+01 1.574573027e+02 2.728723514e+02 9.483334619e+01 1.629909968e+02 1.24 2.795082163e+02 1.162742525e+02 2.282062719e+02 2.795197943e+02 2.795313865e+02 8.774596668e+01 1.389299788e+02 2.414327321e+02 8.361687626e+01 1.443868350e+02 1.26 2.479105143e+02 1.015282501e+02 2.016238072e+02 2.479215298e+02 2.479325589e+02 7.717367651e+01 1.224112333e+02 2.132624182e+02 7.359856805e+01 1.276418475e+02 1.28 2.195205602e+02 8.865548637e+01 1.779398390e+02 2.195310463e+02 2.195415454e+02 6.768846231e+01 1.077266372e+02 1.881227637e+02 6.467672870e+01 1.126294579e+02 1.30 1.941145234e+02 7.743215183e+01 1.569041426e+02 1.941245112e+02 1.941345115e+02 5.921462866e+01 9.470509111e+01 1.657653449e+02 5.675141141e+01 9.921597891e+01 1.32 1.714572467e+02 6.765541097e+01 1.382702475e+02 1.714667654e+02 1.714762962e+02 5.167258740e+01 8.318252952e+01 1.459415829e+02 4.972646918e+01 8.726623883e+01 1.34 1.513116977e+02 5.914301043e+01 1.218010195e+02 1.513207750e+02 1.513298637e+02 4.498204334e+01 7.300431334e+01 1.284094743e+02 4.351100545e+01 7.664754471e+01 1.36 1.334456838e+02 5.173237213e+01 1.072723024e+02 1.334543454e+02 1.334630181e+02 3.906425268e+01 6.402663213e+01 1.129381312e+02 3.802025262e+01 6.723241274e+01 1.38 1.176364591e+02 4.527936241e+01 9.447510537e+01 1.176447293e+02 1.176530102e+02 3.384357075e+01 5.611717759e+01 9.931066400e+01 3.317602370e+01 5.890035504e+01 1.40 1.036737287e+02 3.965688056e+01 8.321671852e+01 1.036816304e+02 1.036895423e+02 2.924853967e+01 4.915529450e+01 8.732582035e+01 2.890682385e+01 5.153895400e+01 1.42 9.136144781e+01 3.475337309e+01 7.332105133e+01 9.136900238e+01 9.137656670e+01 2.521251130e+01 4.303176077e+01 7.679870245e+01 2.514761959e+01 4.504440883e+01 1.44 8.051871862e+01 3.047134149e+01 6.462841670e+01 8.052594609e+01 8.053318291e+01 2.167395526e+01 3.764821781e+01 6.756084222e+01 2.183953976e+01 3.932169388e+01 1.46 7.098003520e+01 2.672588911e+01 5.699493797e+01 7.098695435e+01 7.099388246e+01 1.857654613e+01 3.291638195e+01 5.945982273e+01 1.892958786e+01 3.428444272e+01 1.48 6.259504372e+01 2.344334577e+01 5.029170608e+01 6.260167213e+01 6.260830912e+01 1.586909110e+01 2.875737325e+01 5.235857247e+01 1.637030451e+01 2.985459145e+01 1.50 5.522792358e+01 2.055998607e+01 4.440378480e+01 5.523427779e+01 5.524064021e+01 1.350534673e+01 2.510102154e+01 4.613441266e+01 1.411938410e+01 2.596170099e+01 1.52 4.875660731e+01 1.802085087e+01 3.922913970e+01 4.876270306e+01 4.876880669e+01 1.144376346e+01 2.188514464e+01 4.067803161e+01 1.213926263e+01 2.254238611e+01 1.54 4.307190943e+01 1.577866226e+01 3.467753875e+01 4.307776170e+01 4.308362152e+01 9.647183861e+00 1.905483091e+01 3.589243521e+01 1.039669765e+01 1.953987696e+01 1.56 3.807658004e+01 1.379285166e+01 3.066946504e+01 3.808220301e+01 3.808783320e+01 8.082516822e+00 1.656174157e+01 3.169188255e+01 8.862362614e+00 1.690353623e+01 1.58 3.368433010e+01 1.202869200e+01 2.713506797e+01 3.368973711e+01 3.369515103e+01 6.720401419e+00 1.436344502e+01 2.800083916e+01 7.510458136e+00 1.458835974e+01 1.60 2.981885768e+01 1.045652506e+01 2.401316949e+01 2.982406110e+01 2.982927112e+01 5.534850013e+00 1.242278796e+01 2.475296953e+01 6.318328762e+00 1.255447853e+01 1.62 2.641290435e+01 9.051078328e+00 2.125033159e+01 2.641791551e+01 2.642293298e+01 4.502943274e+00 1.070732088e+01 2.189018511e+01 5.266127970e+00 1.076667671e+01 1.64 2.340735527e+01 7.790865640e+00 1.879999325e+01 2.341218455e+01 2.341701987e+01 3.604545004e+00 9.188766940e+00 1.936175579e+01 4.336525395e+00 9.193931961e+00 1.66 2.075039178e+01 6.657663770e+00 1.662168159e+01 2.075504872e+01 2.075971145e+01 2.822011699e+00 7.842534105e+00 1.712348901e+01 3.514418763e+00 7.808983027e+00 1.68 1.839670598e+01 5.636042668e+00 1.468029591e+01 1.840119936e+01 1.840569827e+01 2.139924048e+00 6.647226326e+00 1.513697949e+01 2.786671943e+00 6.587928722e+00 1.70 1.630677670e+01 4.712951381e+00 1.294546057e+01 1.631111458e+01 1.631545775e+01 1.544838359e+00 5.584169530e+00 1.336892748e+01 2.141860976e+00 5.509858306e+00 1.72 1.444620796e+01 3.877263867e+00 1.139094348e+01 1.445039778e+01 1.445459266e+01 1.025060546e+00 4.637073856e+00 1.179052302e+01 1.569997053e+00 4.556513655e+00 1.74 1.278512994e+01 3.119404022e+00 9.994137103e+00 1.278917857e+01 1.279323202e+01 5.704416133e-01 3.791752437e+00 1.037689148e+01 1.062314860e+00 3.711983149e+00 1.76 1.129765749e+01 2.431125697e+00 8.735595728e+00 1.130157126e+01 1.130548963e+01 1.721926064e-01 3.035864800e+00 9.106601780e+00 6.111255217e-01 2.962424822e+00 1.78 9.961404422e+00 1.805330702e+00 7.598625297e+00 9.965189188e+00 9.968978359e+00 -1.772811971e-01 2.358666342e+00 7.961232826e+00 2.097121817e-01 2.295817860e+00 1.80 8.757049856e+00 1.235910282e+00 6.568915630e+00 8.760711058e+00 8.764376467e+00 -4.845283045e-01 1.750816304e+00 6.924987407e+00 -1.477848178e-01 1.701740502e+00 1.82 7.667951381e+00 7.176071787e-01 5.634145826e+00 7.671494063e+00 7.675040760e+00 -7.551828823e-01 1.204224041e+00 5.984339214e+00 -4.664723871e-01 1.171170480e+00 1.84 6.679802356e+00 2.458968593e-01 4.783639010e+00 6.683231203e+00 6.686663882e+00 -9.940789950e-01 7.118928459e-01 5.127725394e+00 -7.507954438e-01 6.962838207e-01 1.86 5.780328841e+00 -1.831234635e-01 4.008141865e+00 5.783648215e+00 5.786971247e+00 -1.205354931e+00 2.677780772e-01 4.345282404e+00 -1.004620248e+00 2.703077737e-01 1.88 4.959021926e+00 -5.728986744e-01 3.299636579e+00 4.962235895e+00 4.965453355e+00 -1.392547652e+00 -1.333400622e-01 3.628617731e+00 -1.231308701e+00 -1.125875056e-01 1.90 4.206902624e+00 -9.265483385e-01 2.651181072e+00 4.210014988e+00 4.213130682e+00 -1.558672933e+00 -4.959652549e-01 2.970606408e+00 -1.433781060e+00 -4.574109832e-01 1.92 3.516315306e+00 -1.246907892e+00 2.056768644e+00 3.519329621e+00 3.522347112e+00 -1.706295654e+00 -8.239802892e-01 2.365213273e+00 -1.614576931e+00 -7.684592758e-01 1.94 2.880746790e+00 -1.536557752e+00 1.511204799e+00 2.883666388e+00 2.886589016e+00 -1.837591376e+00 -1.120730376e+00 1.807338209e+00 -1.775900059e+00 -1.049411860e+00 1.96 2.294668435e+00 -1.797849227e+00 1.009999517e+00 2.297496446e+00 2.300327345e+00 -1.954400107e+00 -1.389097835e+00 1.292681631e+00 -1.919662792e+00 -1.303414313e+00 1.98 1.753398150e+00 -2.032927614e+00 5.492728850e-01 1.756137518e+00 1.758879639e+00 -2.058273297e+00 -1.631585718e+00 8.176276520e-01 -2.047526094e+00 -1.533151203e+00 2.00 1.252980272e+00 -2.243752777e+00 1.256727278e-01 1.255633772e+00 1.258289896e+00 -2.150514760e+00 -1.850387736e+00 3.791428096e-01 -2.160930782e+00 -1.740909659e+00 2.02 7.900811386e-01 -2.432117463e+00 -2.636971955e-01 7.926513900e-01 7.952241418e-01 -2.232216273e+00 -2.047429606e+00 -2.532558214e-02 -2.261128257e+00 -1.928634990e+00 2.04 3.618981912e-01 -2.599663660e+00 -6.213398883e-01 3.643876725e-01 3.668795357e-01 -2.304288556e+00 -2.224403425e+00 -3.980083661e-01 -2.349219506e+00 -2.097979868e+00 2.06 -3.391881301e-02 -2.747897187e+00 -9.494196569e-01 -3.150775337e-02 -2.909442514e-02 -2.367488159e+00 -2.382798809e+00 -7.409128958e-01 -2.426117095e+00 -2.250340731e+00 2.08 -3.993507994e-01 -2.878202549e+00 -1.249819367e+00 -3.970159317e-01 -3.946789038e-01 -2.422445662e+00 -2.523947264e+00 -1.055857429e+00 -2.492655860e+00 -2.386911218e+00 2.10 -7.361746491e-01 -2.991868715e+00 -1.524252466e+00 -7.339138527e-01 -7.316509997e-01 -2.469721244e+00 -2.649073026e+00 -1.344529567e+00 -2.549581186e+00 -2.508760203e+00 2.12 -1.046069105e+00 -3.090123986e+00 -1.774335350e+00 -1.043880359e+00 -1.041689655e+00 -2.509840414e+00 -2.759319613e+00 -1.608524744e+00 -2.597611246e+00 -2.616888401e+00 2.14 -1.330625268e+00 -3.174135901e+00 -2.001596036e+00 -1.328506644e+00 -1.326386157e+00 -2.543362522e+00 -2.855756696e+00 -1.849352747e+00 -2.637415671e+00 -2.712235412e+00 2.16 -1.591350907e+00 -3.244995136e+00 -2.207478641e+00 -1.589300562e+00 -1.587248443e+00 -2.571402800e+00 -2.939384996e+00 -2.068442043e+00 -2.669619139e+00 -2.795683481e+00 2.18 -1.829674544e+00 -3.303719685e+00 -2.393347630e+00 -1.827690710e+00 -1.825705190e+00 -2.593014589e+00 -3.011140624e+00 -2.267143867e+00 -2.694805567e+00 -2.868061001e+00 2.20 -2.046949358e+00 -3.351259611e+00 -2.560491877e+00 -2.045030342e+00 -2.043109721e+00 -2.609129949e+00 -3.071899050e+00 -2.446736148e+00 -2.713541889e+00 -2.930145799e+00 2.22 -2.244456933e+00 -3.388502426e+00 -2.710128556e+00 -2.242601097e+00 -2.240743738e+00 -2.620289921e+00 -3.122479674e+00 -2.608427281e+00 -2.726315688e+00 -2.982669408e+00 2.24 -2.423410734e+00 -3.416275383e+00 -2.843415337e+00 -2.421616505e+00 -2.419820826e+00 -2.626859496e+00 -3.163648842e+00 -2.753359305e+00 -2.733571389e+00 -3.026317612e+00 2.26 -2.584959413e+00 -3.435346725e+00 -2.961463730e+00 -2.583225298e+00 -2.581489805e+00 -2.629181967e+00 -3.196123402e+00 -2.882611747e+00 -2.735779965e+00 -3.061729872e+00 2.28 -2.730190282e+00 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