# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = MoW3 # 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 2025-12-17 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 2.120545937e+02 nan nan 0.98 1.990254282e+02 nan nan 1.00 1.872176978e+02 nan nan 1.02 1.765039072e+02 nan nan 1.04 1.659583915e+02 nan nan 1.06 1.558800435e+02 2.006684435e+02 nan 1.08 1.464830553e+02 1.883049223e+02 2.198876775e+02 1.10 1.376837910e+02 1.773655570e+02 2.079028651e+02 1.12 1.285810127e+02 1.674329618e+02 1.969527938e+02 1.14 1.198143974e+02 1.584079569e+02 1.860337926e+02 1.16 1.124158087e+02 1.501328676e+02 1.754059147e+02 1.18 1.062330525e+02 1.421925976e+02 1.639455370e+02 1.20 1.006730326e+02 1.344047214e+02 1.529139732e+02 1.22 9.597328166e+01 1.274424309e+02 1.419984828e+02 1.24 9.140152912e+01 1.212645282e+02 1.333859323e+02 1.26 8.668459640e+01 1.153772284e+02 1.273830460e+02 1.28 8.232680486e+01 1.098198854e+02 1.238360649e+02 1.30 7.848303001e+01 1.048071214e+02 1.192461865e+02 1.32 7.500761796e+01 1.002427429e+02 1.148165793e+02 1.34 7.197517085e+01 9.594858000e+01 1.114610994e+02 1.36 6.850888466e+01 9.161015704e+01 1.078164301e+02 1.38 6.483088785e+01 8.756256512e+01 1.041744126e+02 1.40 6.134125803e+01 8.379331724e+01 1.010602009e+02 1.42 5.816938027e+01 8.009777044e+01 9.832575803e+01 1.44 5.509540247e+01 7.638093040e+01 9.493071315e+01 1.46 5.218865316e+01 7.272146787e+01 9.128184975e+01 1.48 4.941327481e+01 6.926671373e+01 8.754291698e+01 1.50 4.660664694e+01 6.590349399e+01 8.433972627e+01 1.52 4.377028402e+01 6.249848286e+01 8.194675163e+01 1.54 4.100536553e+01 5.913745275e+01 7.912532527e+01 1.56 3.846831114e+01 5.588329226e+01 7.550105466e+01 1.58 3.621294816e+01 5.275605448e+01 7.098151873e+01 1.60 3.414315475e+01 4.973553755e+01 6.685298461e+01 1.62 3.212674947e+01 4.677149828e+01 6.305882080e+01 1.64 3.000232553e+01 4.385649481e+01 5.922746857e+01 1.66 2.766658452e+01 4.110362819e+01 5.562923346e+01 1.68 2.519212206e+01 3.858181295e+01 5.239340347e+01 1.70 2.273593704e+01 3.620119619e+01 4.968411284e+01 1.72 2.052188346e+01 3.386943167e+01 4.689303947e+01 1.74 1.847771126e+01 3.151885629e+01 4.409725496e+01 1.76 1.652602083e+01 2.925659336e+01 4.160863135e+01 1.78 1.465505163e+01 2.718576627e+01 3.925609539e+01 1.80 1.275830482e+01 2.530093552e+01 3.693069062e+01 1.82 1.100579053e+01 2.355333291e+01 3.460195463e+01 1.84 9.382319775e+00 2.193052941e+01 3.218597938e+01 1.86 8.054047827e+00 2.040533263e+01 2.972985183e+01 1.88 7.006877447e+00 1.894687781e+01 2.746030610e+01 1.90 6.136817098e+00 1.753376646e+01 2.530863902e+01 1.92 5.377190216e+00 1.617500357e+01 2.325090809e+01 1.94 4.681206795e+00 1.488271787e+01 2.115786835e+01 1.96 4.037439673e+00 1.362867946e+01 1.912270198e+01 1.98 3.461412036e+00 1.238893858e+01 1.724198486e+01 2.00 2.947479043e+00 1.112271440e+01 1.547668251e+01 2.02 2.459136481e+00 9.853335939e+00 1.385695709e+01 2.04 1.969473396e+00 8.674449570e+00 1.261323114e+01 2.06 1.461516167e+00 7.583859076e+00 1.149344669e+01 2.08 9.476710824e-01 6.557864036e+00 1.030893072e+01 2.10 4.479595129e-01 5.617617159e+00 9.222652542e+00 2.12 -4.528326925e-01 4.756721792e+00 8.243537400e+00 2.14 -1.347739695e+00 3.952119167e+00 7.362328797e+00 2.16 -2.437532431e+00 3.190707048e+00 6.556986085e+00 2.18 -3.326292525e+00 2.461137508e+00 5.776960346e+00 2.20 -4.057899269e+00 1.758520815e+00 4.978338498e+00 2.22 -4.675777005e+00 1.123495159e+00 4.170427330e+00 2.24 -5.201925703e+00 5.806706118e-01 3.464335686e+00 2.26 -5.698609095e+00 1.245231959e-01 2.851933514e+00 2.28 -6.182694050e+00 -2.647655941e-01 2.210717517e+00 2.30 -6.620470475e+00 -6.485021664e-01 1.563118350e+00 2.32 -6.973843185e+00 -1.234138037e+00 9.522401741e-01 2.34 -7.259692540e+00 -1.728907569e+00 3.989551092e-01 2.36 -7.449823679e+00 -2.656021717e+00 -4.942462307e-01 2.38 -7.605951872e+00 -3.647029809e+00 -1.779882181e+00 2.40 -7.740233495e+00 -4.424889917e+00 -2.736888941e+00 2.42 -7.854839185e+00 -5.023736807e+00 -3.490236045e+00 2.44 -7.957613923e+00 -5.500052558e+00 -4.109259846e+00 2.46 -8.034113808e+00 -5.911975471e+00 -4.627826102e+00 2.48 -8.079885645e+00 -6.292347190e+00 -5.063302734e+00 2.50 -8.092872719e+00 -6.633606377e+00 -5.431619930e+00 2.52 -8.095656656e+00 -6.887358387e+00 -5.751769764e+00 2.54 -8.112985306e+00 -7.129962351e+00 -6.025340883e+00 2.56 -8.139792542e+00 -7.362710069e+00 -6.244363922e+00 2.58 -8.141079019e+00 -7.585895574e+00 -6.415999988e+00 2.60 -8.103463010e+00 -7.786356873e+00 -6.536793910e+00 2.62 -8.047275717e+00 -7.951753844e+00 -6.620784380e+00 2.64 -7.970686567e+00 -8.077889139e+00 -6.700571660e+00 2.66 -7.888224200e+00 -8.170401639e+00 -6.805308664e+00 2.68 -7.807313103e+00 -8.238909601e+00 -6.952634915e+00 2.70 -7.734287773e+00 -8.291690038e+00 -7.139076152e+00 2.72 -7.666847779e+00 -8.328530184e+00 -7.313677726e+00 2.74 -7.596654929e+00 -8.349146120e+00 -7.456954475e+00 2.76 -7.526245846e+00 -8.350985514e+00 -7.553570536e+00 2.78 -7.456410320e+00 -8.338586868e+00 -7.630789261e+00 2.80 -7.382815545e+00 -8.314093742e+00 -7.705186565e+00 2.82 -7.307426022e+00 -8.268094295e+00 -7.780396404e+00 2.84 -7.231808359e+00 -8.204772841e+00 -7.825679494e+00 2.86 -7.156935142e+00 -8.130244597e+00 -7.818757985e+00 2.88 -7.083405645e+00 -8.051305494e+00 -7.808904782e+00 2.90 -7.010437432e+00 -7.977667554e+00 -7.800811965e+00 2.92 -6.937978358e+00 -7.913456474e+00 -7.791797506e+00 2.94 -6.865575945e+00 -7.840266903e+00 -7.784002933e+00 2.96 -6.792484575e+00 -7.751878668e+00 -7.768723270e+00 2.98 -6.716923286e+00 -7.641314919e+00 -7.730965168e+00 3.00 -6.633647996e+00 -7.518844832e+00 -7.673513118e+00 3.02 -6.533023873e+00 -7.412493091e+00 -7.622364529e+00 3.04 -6.410366571e+00 -7.335396350e+00 -7.559370961e+00 3.06 -6.232435634e+00 -7.274759027e+00 -7.488092638e+00 3.08 -6.067653601e+00 -7.216897340e+00 -7.416798355e+00 3.10 -5.900689300e+00 -7.156436122e+00 -7.347866943e+00 3.12 -5.751288627e+00 -7.085568689e+00 -7.272770594e+00 3.14 -5.630693303e+00 -7.001281280e+00 -7.183391371e+00 3.16 -5.515240172e+00 -6.908604257e+00 -7.085768756e+00 3.18 -5.306568921e+00 -6.803458584e+00 -6.987679798e+00 3.20 -4.957594187e+00 -6.703815723e+00 -6.901908156e+00 3.22 -4.621236473e+00 -6.614958546e+00 -6.834435676e+00 3.24 -4.324367549e+00 -6.524072493e+00 -6.774429832e+00 3.26 -4.093975448e+00 -6.430844721e+00 -6.709597302e+00 3.28 -3.930044180e+00 -6.327479140e+00 -6.632644091e+00 3.30 -3.818194116e+00 -6.214297442e+00 -6.549692250e+00 3.32 -3.734722759e+00 -6.081295406e+00 -6.473959498e+00 3.34 -3.664015710e+00 -5.932970351e+00 -6.417268240e+00 3.36 -3.598635954e+00 -5.794507905e+00 -6.381160560e+00 3.38 -3.527035372e+00 -5.671052269e+00 -6.370258872e+00 3.40 -3.445250952e+00 -5.562473299e+00 -6.373000876e+00 3.42 -3.356680097e+00 -5.440919076e+00 -6.357255073e+00 3.44 -3.242675107e+00 -5.314505090e+00 -6.308993642e+00 3.46 -3.110045877e+00 -5.208947506e+00 -6.250393849e+00 3.48 -2.952266765e+00 -5.117001782e+00 -6.192046646e+00 3.50 -2.777650114e+00 -5.036655413e+00 -6.139986173e+00 3.52 -2.643635547e+00 -4.971295752e+00 -6.099246248e+00 3.54 -2.544606490e+00 -4.927335802e+00 -6.065423460e+00 3.56 -2.484153099e+00 -4.912975258e+00 -6.028741495e+00 3.58 -2.467096593e+00 -4.923881505e+00 -6.000006603e+00 3.60 -2.472509722e+00 -4.948605663e+00 -5.974844556e+00 3.62 -2.482222949e+00 -4.972734594e+00 -5.946441232e+00 3.64 -2.486582380e+00 -4.978995645e+00 -5.914324121e+00 3.66 -2.484472357e+00 -4.961025175e+00 -5.878413096e+00 3.68 -2.480536093e+00 -4.925130874e+00 -5.838063272e+00 3.70 -2.477870362e+00 -4.877075245e+00 -5.791907366e+00 3.72 -2.478007377e+00 -4.822247411e+00 -5.738784630e+00 3.74 -2.482449573e+00 -4.763410607e+00 -5.677593291e+00 3.76 -2.492500541e+00 -4.689678595e+00 -5.605767416e+00 3.78 -2.505178794e+00 -4.590901654e+00 -5.502900292e+00 3.80 -2.514857453e+00 -4.459749595e+00 -5.399029486e+00 3.82 -2.519252267e+00 -4.257442022e+00 -5.275260530e+00 3.84 -2.517235342e+00 -3.989715009e+00 -5.056324761e+00 3.86 -2.506964164e+00 -3.688305156e+00 -4.652541073e+00 3.88 -2.488420332e+00 -3.376651985e+00 -4.203311706e+00 3.90 -2.465406833e+00 -3.062911736e+00 -3.722773946e+00 3.92 -2.442461550e+00 -2.769707093e+00 -3.266386340e+00 3.94 -2.423609428e+00 -2.515474722e+00 -2.863290181e+00 3.96 -2.409560177e+00 -2.307674976e+00 -2.511318123e+00 3.98 -2.400221287e+00 -2.145322488e+00 -2.205852366e+00 4.00 -2.393550549e+00 -2.022163163e+00 -1.945170680e+00 4.02 -2.388370254e+00 -1.929404540e+00 -1.718012447e+00 4.04 -2.384593692e+00 -1.857770428e+00 -1.514709274e+00 4.06 -2.382018295e+00 -1.797423818e+00 -1.330054362e+00 4.08 -2.380938348e+00 -1.740872610e+00 -1.164508742e+00 4.10 -2.382352097e+00 -1.683977359e+00 -1.027039634e+00 4.12 -2.386770102e+00 -1.627163293e+00 -9.275566854e-01 4.14 -2.392198185e+00 -1.570499890e+00 -8.620208451e-01 4.16 -2.395370941e+00 -1.518854972e+00 -8.209605322e-01 4.18 -2.393263776e+00 -1.485450872e+00 -7.923920423e-01 4.20 -2.383637373e+00 -1.465398135e+00 -7.621837782e-01 4.22 -2.366100314e+00 -1.458830123e+00 -7.215963725e-01 4.24 -2.341557263e+00 -1.473376300e+00 -6.726929149e-01 4.26 -2.313138472e+00 -1.511098783e+00 -6.255917889e-01 4.28 -2.285209330e+00 -1.567363201e+00 -6.042719544e-01 4.30 -2.262226341e+00 -1.633973519e+00 -6.236520716e-01 4.32 -2.247286161e+00 -1.703980566e+00 -6.838957638e-01 4.34 -2.240590509e+00 -1.775303962e+00 -7.800977640e-01 4.36 -2.241261556e+00 -1.850018381e+00 -9.033262738e-01 4.38 -2.245598100e+00 -1.925374990e+00 -1.037491760e+00 4.40 -2.248328596e+00 -1.996149581e+00 -1.167603845e+00 4.42 -2.244430931e+00 -2.057972735e+00 -1.288516932e+00 4.44 -2.231818338e+00 -2.109145835e+00 -1.398336363e+00 4.46 -2.209929602e+00 -2.148492337e+00 -1.493814211e+00 4.48 -2.178939112e+00 -2.176589285e+00 -1.573566811e+00 4.50 -2.142370104e+00 -2.196997440e+00 -1.641971820e+00 4.52 -2.105532030e+00 -2.213602023e+00 -1.703966391e+00 4.54 -2.071671603e+00 -2.230243627e+00 -1.764301148e+00 4.56 -2.039861536e+00 -2.250702326e+00 -1.827541182e+00 4.58 -2.008564534e+00 -2.277926901e+00 -1.898007144e+00 4.60 -1.976009466e+00 -2.313076566e+00 -1.979417635e+00 4.62 -1.938677546e+00 -2.354053950e+00 -2.070395949e+00 4.64 -1.892520061e+00 -2.396062516e+00 -2.165233133e+00 4.66 -1.840988421e+00 -2.434413452e+00 -2.258304196e+00 4.68 -1.791522373e+00 -2.464739853e+00 -2.344675631e+00 4.70 -1.752757538e+00 -2.484127072e+00 -2.420096198e+00 4.72 -1.733980680e+00 -2.491291512e+00 -2.480622129e+00 4.74 -1.742545436e+00 -2.485542258e+00 -2.523185788e+00 4.76 -1.775602599e+00 -2.469568422e+00 -2.549721024e+00 4.78 -1.818537583e+00 -2.447591468e+00 -2.564231803e+00 4.80 -1.858679301e+00 -2.423777503e+00 -2.570587282e+00 4.82 -1.883263164e+00 -2.400580467e+00 -2.572592671e+00 4.84 -1.880580774e+00 -2.379007466e+00 -2.574049741e+00 4.86 -1.842906262e+00 -2.360005841e+00 -2.578748802e+00 4.88 -1.775965921e+00 -2.343621600e+00 -2.589171067e+00 4.90 -1.690219910e+00 -2.327247275e+00 -2.604074136e+00 4.92 -1.596641877e+00 -2.308050399e+00 -2.621449554e+00 4.94 -1.504712839e+00 -2.286470158e+00 -2.639290829e+00 4.96 -1.425483157e+00 -2.264788020e+00 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