# 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 = TiZr3 # 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 5.575437846e+02 nan nan 0.98 5.064139198e+02 nan nan 1.00 4.606886922e+02 nan nan 1.02 4.196422921e+02 nan nan 1.04 3.823454371e+02 nan nan 1.06 3.484989074e+02 5.267136695e+02 nan 1.08 3.179058131e+02 4.825821784e+02 5.491771801e+02 1.10 2.903458474e+02 4.422788334e+02 5.044967835e+02 1.12 2.653332168e+02 4.052597302e+02 4.637773961e+02 1.14 2.427195032e+02 3.714328619e+02 4.266664156e+02 1.16 2.219314768e+02 3.407793475e+02 3.929170434e+02 1.18 2.029097997e+02 3.127919956e+02 3.620160657e+02 1.20 1.855728396e+02 2.876977259e+02 3.334703698e+02 1.22 1.698263748e+02 2.648935526e+02 3.072057215e+02 1.24 1.554807297e+02 2.439038563e+02 2.828319418e+02 1.26 1.423902180e+02 2.246311885e+02 2.604123651e+02 1.28 1.305712769e+02 2.070364962e+02 2.398415486e+02 1.30 1.197837989e+02 1.910795543e+02 2.209907456e+02 1.32 1.098998990e+02 1.762803317e+02 2.039515702e+02 1.34 1.008159663e+02 1.626165783e+02 1.885132261e+02 1.36 9.252676524e+01 1.499888825e+02 1.742690495e+02 1.38 8.493271421e+01 1.383816119e+02 1.612088906e+02 1.40 7.791915983e+01 1.277463622e+02 1.491699687e+02 1.42 7.143658579e+01 1.179568570e+02 1.379704066e+02 1.44 6.552428356e+01 1.089496597e+02 1.275575341e+02 1.46 6.018696463e+01 1.006680607e+02 1.179732532e+02 1.48 5.531654782e+01 9.300607061e+01 1.092049060e+02 1.50 5.079197233e+01 8.587550800e+01 1.011871870e+02 1.52 4.662200445e+01 7.924805885e+01 9.369574209e+01 1.54 4.280376750e+01 7.314808227e+01 8.675106554e+01 1.56 3.930872936e+01 6.758088636e+01 8.029842361e+01 1.58 3.610852679e+01 6.251180356e+01 7.432016368e+01 1.60 3.316764124e+01 5.785922996e+01 6.879045157e+01 1.62 3.048808581e+01 5.354288844e+01 6.366706559e+01 1.64 2.805568296e+01 4.952004599e+01 5.893945105e+01 1.66 2.583122950e+01 4.578452371e+01 5.461379703e+01 1.68 2.377716491e+01 4.232013515e+01 5.064970343e+01 1.70 2.185157871e+01 3.910352508e+01 4.698719669e+01 1.72 2.008928475e+01 3.613440343e+01 4.355417163e+01 1.74 1.840199230e+01 3.343242735e+01 4.033881674e+01 1.76 1.683352944e+01 3.099444123e+01 3.734719896e+01 1.78 1.542725482e+01 2.876298273e+01 3.459055614e+01 1.80 1.416964480e+01 2.665445474e+01 3.206354013e+01 1.82 1.302739752e+01 2.463572171e+01 2.973919360e+01 1.84 1.195526499e+01 2.275096590e+01 2.758040113e+01 1.86 1.089262753e+01 2.093576738e+01 2.556187964e+01 1.88 9.847391268e+00 1.924414025e+01 2.366887464e+01 1.90 8.829514274e+00 1.767999641e+01 2.190028118e+01 1.92 7.851284293e+00 1.623072350e+01 2.024442107e+01 1.94 6.929961670e+00 1.488577824e+01 1.868754751e+01 1.96 6.074374274e+00 1.362560091e+01 1.722810304e+01 1.98 5.282217547e+00 1.250687049e+01 1.589126527e+01 2.00 4.558125628e+00 1.147882754e+01 1.469588963e+01 2.02 3.512205513e+00 1.051586314e+01 1.362125342e+01 2.04 2.631160021e+00 9.612993492e+00 1.262495059e+01 2.06 1.881183130e+00 8.749561190e+00 1.164580151e+01 2.08 1.208158773e+00 7.918605040e+00 1.066519111e+01 2.10 5.975272240e-01 7.136355159e+00 9.702394820e+00 2.12 6.678456439e-02 6.451443592e+00 8.845727428e+00 2.14 -4.350230282e-01 5.754224508e+00 7.957591954e+00 2.16 -9.014531397e-01 5.088854730e+00 7.119898552e+00 2.18 -1.335788794e+00 4.386109478e+00 6.330402622e+00 2.20 -1.734513642e+00 3.521769889e+00 5.582004567e+00 2.22 -2.096685859e+00 2.724715654e+00 4.876211155e+00 2.24 -2.427224982e+00 1.963617594e+00 4.110580111e+00 2.26 -2.731624458e+00 1.258226509e+00 3.348592054e+00 2.28 -3.013639252e+00 6.789563067e-01 2.738515911e+00 2.30 -3.282226043e+00 1.815042395e-01 2.148217093e+00 2.32 -3.538075361e+00 -2.661653960e-01 1.514677119e+00 2.34 -3.777306844e+00 -6.775069633e-01 9.216044312e-01 2.36 -3.997586581e+00 -1.058261345e+00 3.928339544e-01 2.38 -4.198119015e+00 -1.412573550e+00 -8.107784679e-02 2.40 -4.381321937e+00 -1.751807755e+00 -5.113687341e-01 2.42 -4.550464359e+00 -2.085907017e+00 -9.083545396e-01 2.44 -4.707471375e+00 -2.410162109e+00 -1.278573015e+00 2.46 -4.857844910e+00 -2.713797200e+00 -1.625001754e+00 2.48 -5.008878952e+00 -2.989645603e+00 -1.951514920e+00 2.50 -5.146353644e+00 -3.240105610e+00 -2.259649133e+00 2.52 -5.260628223e+00 -3.471098157e+00 -2.547157800e+00 2.54 -5.363188510e+00 -3.686950499e+00 -2.812413752e+00 2.56 -5.454793527e+00 -3.890685914e+00 -3.057784406e+00 2.58 -5.533106899e+00 -4.084204251e+00 -3.286518834e+00 2.60 -5.600081212e+00 -4.267809359e+00 -3.502398119e+00 2.62 -5.657241462e+00 -4.440510100e+00 -3.709279569e+00 2.64 -5.702249159e+00 -4.604048771e+00 -3.907434464e+00 2.66 -5.734648054e+00 -4.760445232e+00 -4.093542986e+00 2.68 -5.757916875e+00 -4.912314878e+00 -4.265905990e+00 2.70 -5.777761563e+00 -5.062478384e+00 -4.429996779e+00 2.72 -5.797322745e+00 -5.202896491e+00 -4.587591749e+00 2.74 -5.814038444e+00 -5.322514737e+00 -4.735570506e+00 2.76 -5.832926563e+00 -5.421556837e+00 -4.876461746e+00 2.78 -5.854252975e+00 -5.506176522e+00 -5.012687198e+00 2.80 -5.872229789e+00 -5.580320234e+00 -5.138279204e+00 2.82 -5.882441789e+00 -5.646005976e+00 -5.245577885e+00 2.84 -5.885048970e+00 -5.705466633e+00 -5.338771628e+00 2.86 -5.883154581e+00 -5.760512544e+00 -5.423831966e+00 2.88 -5.878242220e+00 -5.810786524e+00 -5.502812383e+00 2.90 -5.871365501e+00 -5.854399128e+00 -5.578608525e+00 2.92 -5.861746692e+00 -5.890166807e+00 -5.654095238e+00 2.94 -5.846625642e+00 -5.918320621e+00 -5.728578544e+00 2.96 -5.822546758e+00 -5.940839013e+00 -5.798490039e+00 2.98 -5.787379034e+00 -5.954886982e+00 -5.860686381e+00 3.00 -5.744304139e+00 -5.957729073e+00 -5.912789490e+00 3.02 -5.698453086e+00 -5.956882688e+00 -5.953214026e+00 3.04 -5.654124090e+00 -5.955432141e+00 -5.982006317e+00 3.06 -5.613596679e+00 -5.943188042e+00 -6.001561406e+00 3.08 -5.574725096e+00 -5.921369527e+00 -6.016417144e+00 3.10 -5.514615702e+00 -5.900241003e+00 -6.028150572e+00 3.12 -5.408651389e+00 -5.880915257e+00 -6.035923441e+00 3.14 -5.280661207e+00 -5.859310720e+00 -6.038502487e+00 3.16 -5.173423047e+00 -5.828686411e+00 -6.035248358e+00 3.18 -5.081612541e+00 -5.784536131e+00 -6.027642317e+00 3.20 -4.976895932e+00 -5.734787011e+00 -6.017682533e+00 3.22 -4.840539566e+00 -5.690591260e+00 -6.006974830e+00 3.24 -4.662414368e+00 -5.659918707e+00 -5.996057304e+00 3.26 -4.441483246e+00 -5.635198575e+00 -5.981872139e+00 3.28 -4.210597883e+00 -5.610311984e+00 -5.959321717e+00 3.30 -4.006187481e+00 -5.585537122e+00 -5.923972893e+00 3.32 -3.848435703e+00 -5.560830956e+00 -5.879195033e+00 3.34 -3.718002758e+00 -5.535449206e+00 -5.831826553e+00 3.36 -3.602846448e+00 -5.508484361e+00 -5.787451709e+00 3.38 -3.498088579e+00 -5.478670440e+00 -5.746210619e+00 3.40 -3.403973703e+00 -5.439950863e+00 -5.706608769e+00 3.42 -3.319908779e+00 -5.381983224e+00 -5.661767846e+00 3.44 -3.245419417e+00 -5.296478832e+00 -5.600771893e+00 3.46 -3.172402496e+00 -5.194235525e+00 -5.515179184e+00 3.48 -3.091500035e+00 -5.095006418e+00 -5.404810439e+00 3.50 -2.997538915e+00 -5.007837005e+00 -5.279395243e+00 3.52 -2.886786903e+00 -4.923512864e+00 -5.155981390e+00 3.54 -2.762373469e+00 -4.831618511e+00 -5.046968193e+00 3.56 -2.632035163e+00 -4.724827927e+00 -4.946537613e+00 3.58 -2.504706343e+00 -4.599041424e+00 -4.852032918e+00 3.60 -2.387317709e+00 -4.454139991e+00 -4.759478670e+00 3.62 -2.284833791e+00 -4.300195910e+00 -4.655780278e+00 3.64 -2.199846019e+00 -4.148465508e+00 -4.541436397e+00 3.66 -2.129032715e+00 -4.005661742e+00 -4.419672853e+00 3.68 -2.067488475e+00 -3.871076157e+00 -4.297507980e+00 3.70 -2.011801538e+00 -3.739973755e+00 -4.181453307e+00 3.72 -1.959622091e+00 -3.607765622e+00 -4.075769281e+00 3.74 -1.909200619e+00 -3.474085730e+00 -3.982451734e+00 3.76 -1.859161094e+00 -3.345025200e+00 -3.900744206e+00 3.78 -1.809154396e+00 -3.228449709e+00 -3.828879864e+00 3.80 -1.758647146e+00 -3.131937199e+00 -3.764499114e+00 3.82 -1.706936357e+00 -3.045398560e+00 -3.703822124e+00 3.84 -1.654984031e+00 -2.962026573e+00 -3.642930839e+00 3.86 -1.604502882e+00 -2.880374124e+00 -3.578437208e+00 3.88 -1.556678403e+00 -2.798559969e+00 -3.506991915e+00 3.90 -1.511361028e+00 -2.713900224e+00 -3.425203092e+00 3.92 -1.468039722e+00 -2.624157485e+00 -3.329570483e+00 3.94 -1.426228033e+00 -2.529114919e+00 -3.218523206e+00 3.96 -1.385780495e+00 -2.432106240e+00 -3.094938136e+00 3.98 -1.346643969e+00 -2.336730753e+00 -2.962259133e+00 4.00 -1.308990353e+00 -2.245971564e+00 -2.825362374e+00 4.02 -1.272880238e+00 -2.162447347e+00 -2.691536940e+00 4.04 -1.238197672e+00 -2.087663402e+00 -2.567730081e+00 4.06 -1.204795221e+00 -2.022411980e+00 -2.459428274e+00 4.08 -1.172353769e+00 -1.966089727e+00 -2.367808152e+00 4.10 -1.140350214e+00 -1.916651526e+00 -2.290610227e+00 4.12 -1.108309709e+00 -1.872387325e+00 -2.225644323e+00 4.14 -1.076097796e+00 -1.831747862e+00 -2.170255603e+00 4.16 -1.043695038e+00 -1.793303640e+00 -2.121763488e+00 4.18 -1.011081292e+00 -1.755681878e+00 -2.078029197e+00 4.20 -9.783398677e-01 -1.717551872e+00 -2.037325484e+00 4.22 -9.460081321e-01 -1.678056786e+00 -1.998467107e+00 4.24 -9.147609574e-01 -1.636978965e+00 -1.960303128e+00 4.26 -8.848975856e-01 -1.594555722e+00 -1.921636442e+00 4.28 -8.565799139e-01 -1.551104254e+00 -1.881148686e+00 4.30 -8.299588710e-01 -1.507016178e+00 -1.837391749e+00 4.32 -8.048361632e-01 -1.462712915e+00 -1.790149092e+00 4.34 -7.806321445e-01 -1.418642249e+00 -1.740738222e+00 4.36 -7.568733664e-01 -1.375277821e+00 -1.690920767e+00 4.38 -7.334805889e-01 -1.333055414e+00 -1.642650731e+00 4.40 -7.105218659e-01 -1.292326569e+00 -1.596210241e+00 4.42 -6.880957781e-01 -1.253340831e+00 -1.550239415e+00 4.44 -6.664649324e-01 -1.216339871e+00 -1.505456979e+00 4.46 -6.459233603e-01 -1.181584313e+00 -1.462557048e+00 4.48 -6.266253401e-01 -1.149015952e+00 -1.421696928e+00 4.50 -6.083687596e-01 -1.118163996e+00 -1.382331958e+00 4.52 -5.908479462e-01 -1.088555851e+00 -1.343844323e+00 4.54 -5.738094096e-01 -1.059735798e+00 -1.305575733e+00 4.56 -5.570774420e-01 -1.031251993e+00 -1.266868700e+00 4.58 -5.404643695e-01 -1.002551948e+00 -1.227088821e+00 4.60 -5.237833176e-01 -9.730094576e-01 -1.185670153e+00 4.62 -5.070492285e-01 -9.425725126e-01 -1.142862371e+00 4.64 -4.904081506e-01 -9.115615474e-01 -1.099382866e+00 4.66 -4.740164184e-01 -8.803340712e-01 -1.055913792e+00 4.68 -4.581008217e-01 -8.492820101e-01 -1.013136020e+00 4.70 -4.429374906e-01 -8.189314094e-01 -9.717708481e-01 4.72 -4.287838523e-01 -7.899301272e-01 -9.326173708e-01 4.74 -4.156424239e-01 -7.628195161e-01 -8.963756113e-01 4.76 -4.033519335e-01 -7.375026622e-01 -8.629187727e-01 4.78 -3.917571781e-01 -7.136861665e-01 -8.318572586e-01 4.80 -3.806878880e-01 -6.910570420e-01 -8.027641972e-01 4.82 -3.699713225e-01 -6.692645798e-01 -7.751841753e-01 4.84 -3.594708486e-01 -6.479332991e-01 -7.486360061e-01 4.86 -3.491948203e-01 -6.266792630e-01 -7.226175959e-01 4.88 -3.389148246e-01 -6.052551827e-01 -6.968206498e-01 4.90 -3.283627561e-01 -5.837046640e-01 -6.713567404e-01 4.92 -3.172685038e-01 -5.621165589e-01 -6.463850829e-01 4.94 -3.053544195e-01 -5.406432921e-01 -6.220634152e-01 4.96 -2.923385511e-01 -5.194619564e-01 -5.985472942e-01 4.98 -2.783138150e-01 -4.987448237e-01 -5.759922600e-01 5.00 -2.637778723e-01 -4.786525143e-01 -5.545448597e-01 5.02 -2.494354853e-01 -4.592430498e-01 -5.342251044e-01 5.04 -2.360259267e-01 -4.405118979e-01 -5.149541087e-01 5.06 -2.241525899e-01 -4.224807843e-01 -4.966481199e-01 5.08 -2.135841861e-01 -4.051727825e-01 -4.792173424e-01 5.10 -2.025451785e-01 -3.886196560e-01 -4.625635792e-01 5.12 -1.911622994e-01 -3.728761753e-01 -4.465703063e-01 5.14 -1.795779881e-01 -3.580413414e-01 -4.311439820e-01 5.16 -1.679699897e-01 -3.441939806e-01 -4.163876233e-01 5.18 -1.565256414e-01 -3.311238735e-01 -4.024686987e-01 5.20 -1.454361599e-01 -3.185892335e-01 -3.895873124e-01 5.22 -1.349082836e-01 -3.063467689e-01 -3.779733857e-01 5.24 -1.251586785e-01 -2.941505709e-01 -3.678968053e-01 5.26 -1.164055956e-01 -2.817727857e-01 -3.596436472e-01 5.28 -1.088356991e-01 -2.695096387e-01 -3.533464020e-01 5.30 -1.025637335e-01 -2.580906093e-01 -3.487228375e-01 5.32 -9.762125011e-02 -2.482503113e-01 -3.454185989e-01 5.34 -9.355547832e-02 -2.407236171e-01 -3.430610825e-01 5.36 -8.971937250e-02 -2.362422124e-01 -3.412659729e-01 5.38 -8.546788005e-02 -2.346670633e-01 -3.396430901e-01 5.40 -8.016002516e-02 -2.331832302e-01 -3.378032786e-01 5.42 -7.317273039e-02 -2.313861696e-01 -3.355224441e-01 5.44 -6.404834455e-02 -2.292620244e-01 -3.327743129e-01 5.46 -5.354522736e-02 -2.268031764e-01 -3.295412710e-01 5.48 -4.295479416e-02 -2.240017576e-01 -3.258054534e-01 5.50 -3.357618839e-02 -2.208495783e-01 -3.215484126e-01 5.52 -2.676511133e-02 -2.173380993e-01 -3.167507576e-01 5.54 -2.359360985e-02 -2.134580485e-01 -3.113934843e-01 5.56 -2.334278726e-02 -2.091984011e-01 -3.054590794e-01 5.58 -2.306860150e-02 -2.045468448e-01 -2.989273679e-01 5.60 -2.270254672e-02 -1.994911257e-01 -2.917783384e-01 5.62 -2.225438261e-02 -1.940194359e-01 -2.839927725e-01 5.64 -2.173386988e-02 -1.881199539e-01 -2.755519570e-01 5.66 -2.115084753e-02 -1.817814019e-01 -2.664387178e-01 5.68 -2.051312435e-02 -1.749994963e-01 -2.566497760e-01 5.70 -1.982246065e-02 -1.678203653e-01 -2.462523754e-01 5.72 -1.908067266e-02 -1.603136404e-01 -2.353412396e-01 5.74 -1.828946306e-02 -1.525418082e-01 -2.240110833e-01 5.76 -1.745064814e-02 -1.445668732e-01 -2.123573386e-01 5.78 -1.656591657e-02 -1.364518981e-01 -2.004764617e-01 5.80 -1.563692183e-02 -1.282601646e-01 -1.884659473e-01 5.82 -1.467600191e-02 -1.200906603e-01 -1.764769960e-01 5.84 -1.370998326e-02 -1.120884360e-01 -1.647314273e-01 5.86 -1.276847221e-02 -1.043995374e-01 -1.534522985e-01 5.88 -1.188049453e-02 -9.717123413e-02 -1.428854212e-01 5.90 -1.107192983e-02 -9.055454325e-02 -1.332516637e-01 5.92 -1.036785772e-02 -8.470028199e-02 -1.247610630e-01 5.94 -9.782539833e-03 -7.974002570e-02 -1.176008717e-01 5.96 -9.289543499e-03 -7.550820882e-02 -1.115169807e-01 5.98 -8.835167869e-03 -7.159522442e-02 -1.058934061e-01 6.00 -8.366174589e-03 -6.758619435e-02 -1.001050676e-01