# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu # implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CoCu3 # 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 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 -2.149443208e+02 nan nan 0.92 -2.062201296e+02 nan nan 0.94 -1.988791776e+02 nan nan 0.96 -1.924408704e+02 nan nan 0.98 -1.855940261e+02 nan nan 1.00 -1.783366532e+02 nan nan 1.02 -1.712049975e+02 -2.024547422e+02 -2.128177153e+02 1.04 -1.642203078e+02 -1.977681406e+02 -2.091468316e+02 1.06 -1.575952854e+02 -1.920970818e+02 -2.044843112e+02 1.08 -1.517252868e+02 -1.864917956e+02 -1.972609989e+02 1.10 -1.462098062e+02 -1.806103815e+02 -1.881640727e+02 1.12 -1.405445750e+02 -1.733996398e+02 -1.785226636e+02 1.14 -1.351499660e+02 -1.649755230e+02 -1.696555599e+02 1.16 -1.307532386e+02 -1.559508319e+02 -1.621442268e+02 1.18 -1.272667625e+02 -1.476730296e+02 -1.560653477e+02 1.20 -1.238320852e+02 -1.418111267e+02 -1.516290419e+02 1.22 -1.198302365e+02 -1.383264291e+02 -1.487314609e+02 1.24 -1.151693288e+02 -1.356161816e+02 -1.465026397e+02 1.26 -1.101088717e+02 -1.326709590e+02 -1.438421569e+02 1.28 -1.051767898e+02 -1.296740815e+02 -1.401822170e+02 1.30 -1.005266191e+02 -1.267163473e+02 -1.357400312e+02 1.32 -9.573553547e+01 -1.232919041e+02 -1.308607649e+02 1.34 -9.059456408e+01 -1.190098479e+02 -1.256895379e+02 1.36 -8.529268527e+01 -1.143676342e+02 -1.206137362e+02 1.38 -7.981495403e+01 -1.102326947e+02 -1.159758448e+02 1.40 -7.397271967e+01 -1.068683600e+02 -1.116578943e+02 1.42 -6.791167841e+01 -1.037247297e+02 -1.074255740e+02 1.44 -6.216478769e+01 -1.001584272e+02 -1.035413611e+02 1.46 -5.690814728e+01 -9.591862020e+01 -1.004487504e+02 1.48 -5.172331937e+01 -9.118675246e+01 -9.806587753e+01 1.50 -4.606641684e+01 -8.630700937e+01 -9.565220027e+01 1.52 -3.989106143e+01 -8.156062563e+01 -9.227109783e+01 1.54 -3.362934532e+01 -7.700123034e+01 -8.760771522e+01 1.56 -2.770900560e+01 -7.231132667e+01 -8.204722996e+01 1.58 -2.221058627e+01 -6.688964782e+01 -7.613142241e+01 1.60 -1.691916347e+01 -6.025169514e+01 -7.017325732e+01 1.62 -1.161059695e+01 -5.248045504e+01 -6.420458648e+01 1.64 -7.051601960e+00 -4.417995628e+01 -5.818896666e+01 1.66 -3.723146279e+00 -3.601868880e+01 -5.216916844e+01 1.68 -1.311873194e+00 -2.837910325e+01 -4.620701704e+01 1.70 1.773870078e-01 -2.138930385e+01 -4.037323465e+01 1.72 8.583063992e-01 -1.515166525e+01 -3.470499896e+01 1.74 1.043971247e+00 -9.791990732e+00 -2.920742145e+01 1.76 9.497918432e-01 -5.481195721e+00 -2.393084045e+01 1.78 7.104781437e-01 -2.723903526e+00 -1.890514487e+01 1.80 4.033795182e-01 -1.015776398e+00 -1.408002200e+01 1.82 6.992815310e-02 7.254796185e-02 -9.506619693e+00 1.84 -2.733935388e-01 7.450883904e-01 -5.346837089e+00 1.86 -6.367283907e-01 1.089326987e+00 -2.280761728e+00 1.88 -1.009988560e+00 1.178104102e+00 -3.507697324e-01 1.90 -1.371373843e+00 1.093209393e+00 7.272758173e-01 1.92 -1.707470249e+00 9.085481996e-01 1.231632020e+00 1.94 -2.009299171e+00 6.701715983e-01 1.374221950e+00 1.96 -2.270429008e+00 3.966345518e-01 1.288160908e+00 1.98 -2.487714784e+00 9.362113987e-02 1.052527857e+00 2.00 -2.663450598e+00 -2.353307071e-01 7.226255061e-01 2.02 -2.804801337e+00 -5.863252959e-01 3.434584278e-01 2.04 -2.920149811e+00 -9.530511092e-01 -3.956460775e-02 2.06 -3.017082014e+00 -1.328037054e+00 -3.891315629e-01 2.08 -3.100495650e+00 -1.701692806e+00 -6.928760468e-01 2.10 -3.173265213e+00 -2.059977710e+00 -9.663747296e-01 2.12 -3.238589794e+00 -2.384278096e+00 -1.232635787e+00 2.14 -3.299029766e+00 -2.657706696e+00 -1.503307999e+00 2.16 -3.356281776e+00 -2.872952030e+00 -1.776236836e+00 2.18 -3.409576113e+00 -3.034666792e+00 -2.042361451e+00 2.20 -3.457609381e+00 -3.155030429e+00 -2.291394211e+00 2.22 -3.499190837e+00 -3.246714090e+00 -2.517304503e+00 2.24 -3.533710695e+00 -3.318742445e+00 -2.720486705e+00 2.26 -3.560377811e+00 -3.374397465e+00 -2.903039472e+00 2.28 -3.578430805e+00 -3.413766472e+00 -3.067019415e+00 2.30 -3.588122146e+00 -3.440139002e+00 -3.213462606e+00 2.32 -3.590227037e+00 -3.459739146e+00 -3.342662095e+00 2.34 -3.585602140e+00 -3.478992448e+00 -3.454500859e+00 2.36 -3.575526222e+00 -3.500685738e+00 -3.548743647e+00 2.38 -3.561259427e+00 -3.525465176e+00 -3.624984468e+00 2.40 -3.543362393e+00 -3.552263078e+00 -3.682627782e+00 2.42 -3.521174554e+00 -3.578816455e+00 -3.721357418e+00 2.44 -3.493716339e+00 -3.601908408e+00 -3.742437743e+00 2.46 -3.460839821e+00 -3.618828313e+00 -3.750045643e+00 2.48 -3.423226086e+00 -3.628519169e+00 -3.750974854e+00 2.50 -3.382148286e+00 -3.631492494e+00 -3.750807615e+00 2.52 -3.338959508e+00 -3.628784671e+00 -3.751409840e+00 2.54 -3.294542093e+00 -3.621033084e+00 -3.751716071e+00 2.56 -3.249496067e+00 -3.608947980e+00 -3.749675618e+00 2.58 -3.202999738e+00 -3.593285930e+00 -3.743233162e+00 2.60 -3.153320784e+00 -3.574919503e+00 -3.730559841e+00 2.62 -3.100075980e+00 -3.554681521e+00 -3.711239497e+00 2.64 -3.044010742e+00 -3.533324456e+00 -3.686222307e+00 2.66 -2.986325121e+00 -3.511379915e+00 -3.656461375e+00 2.68 -2.928260278e+00 -3.488927690e+00 -3.622740197e+00 2.70 -2.870704668e+00 -3.465730795e+00 -3.585688396e+00 2.72 -2.814326760e+00 -3.441407312e+00 -3.545846800e+00 2.74 -2.759955368e+00 -3.415578912e+00 -3.503746055e+00 2.76 -2.708607622e+00 -3.388031605e+00 -3.459931785e+00 2.78 -2.661355654e+00 -3.358591210e+00 -3.414947346e+00 2.80 -2.619014380e+00 -3.326918731e+00 -3.369357430e+00 2.82 -2.581447429e+00 -3.292553580e+00 -3.323811934e+00 2.84 -2.547687568e+00 -3.255007690e+00 -3.278849733e+00 2.86 -2.516223445e+00 -3.214100954e+00 -3.234951833e+00 2.88 -2.485125151e+00 -3.170133716e+00 -3.192528452e+00 2.90 -2.452447023e+00 -3.123189664e+00 -3.151898782e+00 2.92 -2.416631653e+00 -3.072787728e+00 -3.113313226e+00 2.94 -2.376893381e+00 -3.018491478e+00 -3.077023809e+00 2.96 -2.333220033e+00 -2.960097731e+00 -3.043167353e+00 2.98 -2.286078132e+00 -2.897679193e+00 -3.011413101e+00 3.00 -2.236233090e+00 -2.831482737e+00 -2.981022609e+00 3.02 -2.184602485e+00 -2.761939880e+00 -2.951546203e+00 3.04 -2.132054861e+00 -2.689638900e+00 -2.922769528e+00 3.06 -2.079302239e+00 -2.615798915e+00 -2.894380473e+00 3.08 -2.026822047e+00 -2.542159366e+00 -2.865570319e+00 3.10 -1.974807406e+00 -2.470310272e+00 -2.834841379e+00 3.12 -1.923289834e+00 -2.401765613e+00 -2.800315785e+00 3.14 -1.872456690e+00 -2.337911049e+00 -2.759981064e+00 3.16 -1.822486991e+00 -2.279922799e+00 -2.712037005e+00 3.18 -1.773525234e+00 -2.228617923e+00 -2.655302908e+00 3.20 -1.725575246e+00 -2.184233363e+00 -2.589581581e+00 3.22 -1.678524956e+00 -2.146330400e+00 -2.515820722e+00 3.24 -1.632230369e+00 -2.113889274e+00 -2.435822052e+00 3.26 -1.586601158e+00 -2.085408827e+00 -2.351797536e+00 3.28 -1.541548596e+00 -2.059041506e+00 -2.265948395e+00 3.30 -1.496973711e+00 -2.032811550e+00 -2.180188701e+00 3.32 -1.452769267e+00 -2.004889462e+00 -2.095934915e+00 3.34 -1.408821527e+00 -1.973866727e+00 -2.014044530e+00 3.36 -1.365011811e+00 -1.939011523e+00 -1.934902610e+00 3.38 -1.321217564e+00 -1.900344370e+00 -1.858866403e+00 3.40 -1.277312186e+00 -1.858482324e+00 -1.786455912e+00 3.42 -1.233164490e+00 -1.814387164e+00 -1.718120862e+00 3.44 -1.188648573e+00 -1.769183287e+00 -1.654231927e+00 3.46 -1.143676434e+00 -1.723936804e+00 -1.595084578e+00 3.48 -1.098241766e+00 -1.679484986e+00 -1.540902665e+00 3.50 -1.052356031e+00 -1.636349824e+00 -1.491842323e+00 3.52 -1.006031062e+00 -1.594728948e+00 -1.447995735e+00 3.54 -9.592795669e-01 -1.554542349e+00 -1.409394200e+00 3.56 -9.121156418e-01 -1.515513738e+00 -1.376009902e+00 3.58 -8.645553190e-01 -1.477365792e+00 -1.347756397e+00 3.60 -8.166169856e-01 -1.439964614e+00 -1.324487004e+00 3.62 -7.683218127e-01 -1.403183975e+00 -1.305990446e+00 3.64 -7.196961068e-01 -1.366898524e+00 -1.291988654e+00 3.66 -6.707752506e-01 -1.331015007e+00 -1.282138643e+00 3.68 -6.216004122e-01 -1.295444738e+00 -1.276008510e+00 3.70 -5.722167916e-01 -1.260092514e+00 -1.273042547e+00 3.72 -5.226488635e-01 -1.224856261e+00 -1.272512295e+00 3.74 -4.728965908e-01 -1.189627284e+00 -1.273572701e+00 3.76 -4.229699705e-01 -1.154289836e+00 -1.275290439e+00 3.78 -3.729174160e-01 -1.118720734e+00 -1.276678281e+00 3.80 -3.228018681e-01 -1.082788600e+00 -1.276748295e+00 3.82 -2.726928481e-01 -1.046353108e+00 -1.274581807e+00 3.84 -2.226672883e-01 -1.009264035e+00 -1.269402653e+00 3.86 -1.728151752e-01 -9.713742085e-01 -1.260656414e+00 3.88 -1.232751510e-01 -9.326513878e-01 -1.248175999e+00 3.90 -7.488681550e-02 -8.931289257e-01 -1.232104606e+00 3.92 -3.004504857e-02 -8.528462564e-01 -1.212774035e+00 3.94 9.224390736e-03 -8.118403086e-01 -1.190616618e+00 3.96 4.160668957e-02 -7.701384182e-01 -1.166108764e+00 3.98 6.649196544e-02 -7.277719802e-01 -1.139707085e+00 4.00 8.367679164e-02 -6.847785585e-01 -1.111795326e+00 4.02 8.739880830e-02 -6.412027831e-01 -1.082653701e+00 4.04 6.726264071e-02 -5.970972463e-01 -1.052449620e+00 4.06 1.491362716e-02 -5.525227762e-01 -1.021243919e+00 4.08 -7.563794464e-02 -5.075497015e-01 -9.890085006e-01 4.10 -2.081859463e-01 -4.622581758e-01 -9.556497216e-01 4.12 -3.845223837e-01 -4.167387633e-01 -9.210450476e-01 4.14 -6.046645552e-01 -3.710862973e-01 -8.851283651e-01 4.16 -8.671118130e-01 -3.253961126e-01 -8.478653729e-01 4.18 -1.169107821e+00 -2.797748422e-01 -8.092252341e-01 4.20 -1.506886298e+00 -2.343458350e-01 -7.691876016e-01 4.22 -1.875865942e+00 -1.892698001e-01 -7.277738386e-01 4.24 -2.270748716e+00 -1.447284491e-01 -6.850228830e-01 4.26 -2.685528011e+00 -1.016174422e-01 -6.409792761e-01 4.28 -3.113461303e+00 -6.424057274e-02 -5.956938699e-01 4.30 -3.546681366e+00 -3.740239113e-02 -5.492244436e-01 4.32 -3.975823103e+00 -2.446512984e-02 -5.016359668e-01 4.34 -4.389954311e+00 -2.723616847e-02 -4.530015644e-01 4.36 -4.776760514e+00 -4.601018202e-02 -4.034025065e-01 4.38 -5.123030608e+00 -7.967885560e-02 -3.529290964e-01 4.40 -5.415424085e+00 -1.259114143e-01 -3.016806016e-01 4.42 -5.641354132e+00 -1.814026360e-01 -2.497661873e-01 4.44 -5.789866246e+00 -2.421905998e-01 -1.973046259e-01 4.46 -5.852361223e+00 -3.044941861e-01 -1.444251103e-01 4.48 -5.823149238e+00 -3.652515693e-01 -9.261213708e-02 4.50 -5.699826500e+00 -4.215995290e-01 -4.935087110e-02 4.52 -5.483551489e+00 -4.711846761e-01 -2.294415503e-02 4.54 -5.179198011e+00 -5.128452294e-01 -2.045467986e-02 4.56 -4.795432287e+00 -5.468380573e-01 -4.804667265e-02 4.58 -4.344627035e+00 -5.745329108e-01 -1.133666007e-01 4.60 -3.842545823e+00 -5.981903439e-01 -2.235305500e-01 4.62 -3.307793422e+00 -6.206967331e-01 -3.837982772e-01 4.64 -2.760956428e+00 -6.452709274e-01 -5.975444118e-01 4.66 -2.223467649e+00 -6.751838081e-01 -8.662513552e-01 4.68 -1.716870512e+00 -7.135308480e-01 -1.189524148e+00 4.70 -1.260786782e+00 -7.630623827e-01 -1.565127270e+00 4.72 -8.697050583e-01 -8.260457059e-01 -1.989045903e+00 4.74 -5.517094521e-01 -9.041283460e-01 -2.455572512e+00 4.76 -3.080764776e-01 -9.981656803e-01 -2.957414528e+00 4.78 -1.337866105e-01 -1.108011751e+00 -3.485819130e+00 4.80 -1.891008264e-02 -1.232320951e+00 -4.030746069e+00 4.82 4.932919359e-02 -1.368410551e+00 -4.581059248e+00 4.84 8.428923730e-02 -1.512280044e+00 -5.124763889e+00 4.86 9.796812770e-02 -1.658778761e+00 -5.649246439e+00 4.88 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