# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = Co3Ni # 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 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 8.238469642e+02 nan nan 0.92 7.502782601e+02 nan nan 0.94 6.800845007e+02 nan nan 0.96 6.130405371e+02 nan nan 0.98 5.502641384e+02 7.890583035e+02 nan 1.00 4.923416570e+02 7.225597681e+02 nan 1.02 4.394912271e+02 6.615920971e+02 8.006599529e+02 1.04 3.916824135e+02 6.054282381e+02 7.417217715e+02 1.06 3.487229416e+02 5.526250741e+02 6.851318660e+02 1.08 3.101812335e+02 5.030231225e+02 6.307550801e+02 1.10 2.753040832e+02 4.556753621e+02 5.773333093e+02 1.12 2.439056068e+02 4.110636732e+02 5.257842145e+02 1.14 2.157898252e+02 3.695498699e+02 4.768595903e+02 1.16 1.907215528e+02 3.312960288e+02 4.310134225e+02 1.18 1.684471712e+02 2.963224435e+02 3.884805959e+02 1.20 1.487090309e+02 2.645514493e+02 3.493374643e+02 1.22 1.312551524e+02 2.358402984e+02 3.135481890e+02 1.24 1.158454788e+02 2.100055628e+02 2.809999096e+02 1.26 1.022556418e+02 1.868410553e+02 2.515292587e+02 1.28 9.027895298e+01 1.661307775e+02 2.249421277e+02 1.30 7.972714935e+01 1.476580881e+02 2.010282168e+02 1.32 7.043029295e+01 1.312120195e+02 1.795715778e+02 1.34 6.223610843e+01 1.165914531e+02 1.603580821e+02 1.36 5.500897329e+01 1.036077078e+02 1.431805582e+02 1.38 4.862870828e+01 9.208596525e+01 1.278421693e+02 1.40 4.298927657e+01 8.186585591e+01 1.141584798e+02 1.42 3.799746409e+01 7.280145405e+01 1.019585575e+02 1.44 3.357159034e+01 6.476086432e+01 9.108537381e+01 1.46 2.964028179e+01 5.762554363e+01 8.139570240e+01 1.48 2.614132602e+01 5.128945813e+01 7.275966240e+01 1.50 2.302061667e+01 4.565815124e+01 6.506005840e+01 1.52 2.023119277e+01 4.064777957e+01 5.819159392e+01 1.54 1.773237138e+01 3.618415106e+01 5.206000697e+01 1.56 1.548896987e+01 3.220179376e+01 4.658117778e+01 1.58 1.347061315e+01 2.864307261e+01 4.168024225e+01 1.60 1.165111844e+01 2.545736188e+01 3.729072992e+01 1.62 1.000795185e+01 2.260028141e+01 3.335374566e+01 1.64 8.521749451e+00 2.003299733e+01 2.981720227e+01 1.66 7.175895594e+00 1.772158578e+01 2.663510778e+01 1.68 5.956102687e+00 1.563645934e+01 2.376691224e+01 1.70 4.849927281e+00 1.375185116e+01 2.117691099e+01 1.72 3.846474641e+00 1.204534730e+01 1.883370362e+01 1.74 2.936208150e+00 1.049741928e+01 1.670970663e+01 1.76 2.110781926e+00 9.091020242e+00 1.478071486e+01 1.78 1.362867124e+00 7.811260802e+00 1.302550913e+01 1.80 6.858881567e-01 6.645081956e+00 1.142550640e+01 1.82 7.386369292e-02 5.581012641e+00 9.964447553e+00 1.84 -4.786527738e-01 4.608981743e+00 8.628120582e+00 1.86 -9.766231987e-01 3.720151871e+00 7.404114870e+00 1.88 -1.424570400e+00 2.906771960e+00 6.281603338e+00 1.90 -1.826618983e+00 2.162047111e+00 5.251150033e+00 1.92 -2.186532287e+00 1.480023397e+00 4.304539851e+00 1.94 -2.507745721e+00 8.554860321e-01 3.434628052e+00 1.96 -2.793396823e+00 2.838695570e-01 2.635207560e+00 1.98 -3.046352430e+00 -2.388245944e-01 1.900887174e+00 2.00 -3.269233214e+00 -7.161411067e-01 1.226923745e+00 2.02 -3.464435869e+00 -1.151277302e+00 6.090639667e-01 2.04 -3.634154077e+00 -1.547129168e+00 4.347680579e-02 2.06 -3.780409841e+00 -1.906358407e+00 -4.733457105e-01 2.08 -3.905084035e+00 -2.231458484e+00 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-4.334144231e+00 -4.393439740e+00 2.46 -3.912293875e+00 -4.326095400e+00 -4.414862834e+00 2.48 -3.850089261e+00 -4.311059722e+00 -4.426477776e+00 2.50 -3.785617467e+00 -4.289662776e+00 -4.429113247e+00 2.52 -3.719225233e+00 -4.262487828e+00 -4.423543213e+00 2.54 -3.651230842e+00 -4.230078416e+00 -4.410490285e+00 2.56 -3.581926103e+00 -4.192940775e+00 -4.390628878e+00 2.58 -3.511578212e+00 -4.151546130e+00 -4.364588183e+00 2.60 -3.440431488e+00 -4.106332849e+00 -4.332954959e+00 2.62 -3.368708994e+00 -4.057708475e+00 -4.296276159e+00 2.64 -3.296614062e+00 -4.006051639e+00 -4.255061397e+00 2.66 -3.224331700e+00 -3.951713863e+00 -4.209785271e+00 2.68 -3.152029927e+00 -3.895021252e+00 -4.160889538e+00 2.70 -3.079861002e+00 -3.836276091e+00 -4.108785166e+00 2.72 -3.007962582e+00 -3.775758349e+00 -4.053854259e+00 2.74 -2.936458798e+00 -3.713727089e+00 -3.996451863e+00 2.76 -2.865461265e+00 -3.650421804e+00 -3.936907670e+00 2.78 -2.795070015e+00 -3.586063662e+00 -3.875527607e+00 2.80 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-2.696763877e+00 3.16 -1.645465525e+00 -2.356756727e+00 -2.635932328e+00 3.18 -1.596463480e+00 -2.297990101e+00 -2.576153234e+00 3.20 -1.548626303e+00 -2.240161575e+00 -2.517471132e+00 3.22 -1.501942789e+00 -2.183291934e+00 -2.459925052e+00 3.24 -1.456400346e+00 -2.127398449e+00 -2.403548882e+00 3.26 -1.411985149e+00 -2.072495150e+00 -2.348371703e+00 3.28 -1.368682293e+00 -2.018593079e+00 -2.294418111e+00 3.30 -1.326475922e+00 -1.965700528e+00 -2.241708503e+00 3.32 -1.285349354e+00 -1.913823264e+00 -2.190259355e+00 3.34 -1.245285197e+00 -1.862964734e+00 -2.140083465e+00 3.36 -1.206265453e+00 -1.813126260e+00 -2.091190181e+00 3.38 -1.168271612e+00 -1.764307220e+00 -2.043585596e+00 3.40 -1.131284744e+00 -1.716505218e+00 -1.997272722e+00 3.42 -1.095285575e+00 -1.669716242e+00 -1.952251628e+00 3.44 -1.060254565e+00 -1.623934807e+00 -1.908519545e+00 3.46 -1.026171973e+00 -1.579154097e+00 -1.866070937e+00 3.48 -9.930179195e-01 -1.535366092e+00 -1.825000580e+00 3.50 -9.607724421e-01 -1.492561682e+00 -1.787723434e+00 3.52 -9.294155457e-01 -1.450730783e+00 -1.758895044e+00 3.54 -8.989272492e-01 -1.409862437e+00 -1.727668753e+00 3.56 -8.692876272e-01 -1.369944906e+00 -1.690459709e+00 3.58 -8.404768470e-01 -1.330965764e+00 -1.654423039e+00 3.60 -8.124752030e-01 -1.292911976e+00 -1.619535843e+00 3.62 -7.852631466e-01 -1.255769978e+00 -1.585772789e+00 3.64 -7.588213136e-01 -1.219525740e+00 -1.553106075e+00 3.66 -7.331305485e-01 -1.184164842e+00 -1.521505370e+00 3.68 -7.081719254e-01 -1.149672524e+00 -1.490937772e+00 3.70 -6.839267674e-01 -1.116033748e+00 -1.461367772e+00 3.72 -6.603766630e-01 -1.083233247e+00 -1.432757263e+00 3.74 -6.375034804e-01 -1.051255575e+00 -1.405065580e+00 3.76 -6.152893804e-01 -1.020085145e+00 -1.378249633e+00 3.78 -5.937168267e-01 -9.897062754e-01 -1.352264099e+00 3.80 -5.727685951e-01 -9.601032233e-01 -1.327061739e+00 3.82 -5.524277811e-01 -9.312602188e-01 -1.302593804e+00 3.84 -5.326778058e-01 -9.031614961e-01 -1.278810565e+00 3.86 -5.135024211e-01 -8.757913216e-01 -1.255661940e+00 3.88 -4.948857130e-01 -8.491340197e-01 -1.233098207e+00 3.90 -4.768121047e-01 -8.231739960e-01 -1.211070783e+00 3.92 -4.592663582e-01 -7.978957586e-01 -1.189533009e+00 3.94 -4.422335749e-01 -7.732839373e-01 -1.168440934e+00 3.96 -4.256991962e-01 -7.493233010e-01 -1.147754017e+00 3.98 -4.096490022e-01 -7.259987731e-01 -1.127435735e+00 4.00 -3.940691111e-01 -7.032954455e-01 -1.107454039e+00 4.02 -3.792261889e-01 -6.811985914e-01 -1.087781641e+00 4.04 -3.961442553e-01 -6.596936757e-01 -1.068396114e+00 4.06 -6.685866916e-01 -6.387663654e-01 -1.049279815e+00 4.08 -6.642329359e-01 -6.184025379e-01 -1.030419621e+00 4.10 -6.497316131e-01 -5.985882883e-01 -1.011806531e+00 4.12 -6.356152969e-01 -5.793099363e-01 -9.934351392e-01 4.14 -6.218008305e-01 -5.605540314e-01 -9.753030460e-01 4.16 -6.082824157e-01 -5.423073572e-01 -9.574102209e-01 4.18 -5.950543174e-01 -5.245569359e-01 -9.397583755e-01 4.20 -5.821108659e-01 -5.072900309e-01 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