# 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 = Ti # 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 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 nan nan nan 2.294828107e+02 nan 0.80 nan nan nan nan nan nan nan nan 2.078238158e+02 nan 0.82 nan nan nan nan nan nan nan nan 1.884281838e+02 nan 0.84 nan nan nan nan nan 1.474171026e+02 nan nan 1.711290549e+02 nan 0.86 nan nan nan nan nan 1.339396466e+02 nan nan 1.556887406e+02 nan 0.88 nan nan nan nan nan 1.219260228e+02 nan nan 1.417700149e+02 nan 0.90 nan nan nan nan nan 1.113057157e+02 nan nan 1.292386343e+02 nan 0.92 nan nan nan nan nan 1.018159313e+02 nan nan 1.178105270e+02 nan 0.94 nan nan nan 2.477848999e+02 2.476554977e+02 9.316134868e+01 nan nan 1.074348578e+02 1.587100355e+02 0.96 nan 1.425923669e+02 nan 2.281166756e+02 2.279848869e+02 8.529934622e+01 1.468430353e+02 nan 9.801143369e+01 1.455116340e+02 0.98 nan 1.305952007e+02 nan 2.101677986e+02 2.100876973e+02 7.819244602e+01 1.347416411e+02 nan 8.948090089e+01 1.333751896e+02 1.00 nan 1.196928476e+02 nan 1.938035050e+02 1.937699550e+02 7.162458652e+01 1.236663587e+02 nan 8.170021319e+01 1.224566591e+02 1.02 nan 1.097068012e+02 nan 1.787336972e+02 1.787735171e+02 6.566049575e+01 1.135267024e+02 nan 7.461121122e+01 1.124448552e+02 1.04 nan 1.006031709e+02 nan 1.649066337e+02 1.650156647e+02 6.032881974e+01 1.043297323e+02 nan 6.815678328e+01 1.033888442e+02 1.06 nan 9.235012404e+01 nan 1.522534084e+02 1.523904270e+02 5.536637459e+01 9.591962314e+01 1.400805332e+02 6.231147307e+01 9.512139991e+01 1.08 1.406521034e+02 8.480576404e+01 1.243715432e+02 1.406653621e+02 1.407988682e+02 5.089070435e+01 8.826339125e+01 1.293337083e+02 5.697748222e+01 8.745696280e+01 1.10 1.300862519e+02 7.798957254e+01 1.148555323e+02 1.300672785e+02 1.301867592e+02 4.679486304e+01 8.123264522e+01 1.194774270e+02 5.212510320e+01 8.037328811e+01 1.12 1.203328026e+02 7.164979464e+01 1.062129321e+02 1.203168540e+02 1.203673097e+02 4.307830831e+01 7.469920876e+01 1.104212808e+02 4.775250078e+01 7.395354633e+01 1.14 1.113581915e+02 6.594295810e+01 9.827798073e+01 1.113317885e+02 1.112887404e+02 3.966570661e+01 6.867575122e+01 1.021699215e+02 4.384915783e+01 6.804346432e+01 1.16 1.030916211e+02 6.070129418e+01 9.102651374e+01 1.030246429e+02 1.029338640e+02 3.653846816e+01 6.312671152e+01 9.454386276e+01 4.032944290e+01 6.246640388e+01 1.18 9.562514696e+01 5.590719350e+01 8.426160848e+01 9.552077563e+01 9.539629539e+01 3.367375475e+01 5.799662648e+01 8.758530753e+01 3.714237603e+01 5.741905092e+01 1.20 8.866770253e+01 5.140877484e+01 7.795331654e+01 8.860673531e+01 8.846249117e+01 3.098153839e+01 5.326092957e+01 8.115842622e+01 3.426908481e+01 5.284555557e+01 1.22 8.228412839e+01 4.729857912e+01 7.217762092e+01 8.220913976e+01 8.208055867e+01 2.848052606e+01 4.891563326e+01 7.523109805e+01 3.164041825e+01 4.866231656e+01 1.24 7.638376859e+01 4.344703643e+01 6.676241183e+01 7.630133097e+01 7.621497911e+01 2.614924597e+01 4.496880844e+01 6.968107462e+01 2.918822812e+01 4.485545108e+01 1.26 7.084573759e+01 3.985426235e+01 6.176248558e+01 7.084076771e+01 7.081586612e+01 2.404358479e+01 4.139426698e+01 6.448403264e+01 2.693367710e+01 4.141769948e+01 1.28 6.571389700e+01 3.649274540e+01 5.717795691e+01 6.574987576e+01 6.577336918e+01 2.209612913e+01 3.814439997e+01 5.965043047e+01 2.482542434e+01 3.830747013e+01 1.30 6.088326823e+01 3.339587392e+01 5.297924516e+01 6.094971196e+01 6.102281243e+01 2.035677441e+01 3.516286561e+01 5.515970099e+01 2.282040642e+01 3.551799036e+01 1.32 5.637413723e+01 3.060485303e+01 4.898028793e+01 5.645603879e+01 5.658171490e+01 1.877348952e+01 3.247247942e+01 5.096021714e+01 2.092661100e+01 3.298078372e+01 1.34 5.217441624e+01 2.806315789e+01 4.522968883e+01 5.227907289e+01 5.243129032e+01 1.732756717e+01 3.002180312e+01 4.705591229e+01 1.916328549e+01 3.065582414e+01 1.36 4.824301399e+01 2.575575298e+01 4.173463820e+01 4.837983563e+01 4.853329405e+01 1.599837999e+01 2.779348309e+01 4.346700130e+01 1.751736375e+01 2.848304908e+01 1.38 4.462947712e+01 2.372020055e+01 3.854987942e+01 4.476570098e+01 4.489997475e+01 1.480246237e+01 2.572819669e+01 4.018139449e+01 1.601627597e+01 2.644722669e+01 1.40 4.134062632e+01 2.187873077e+01 3.557535558e+01 4.143885814e+01 4.154469335e+01 1.368974818e+01 2.386217119e+01 3.720042059e+01 1.466246407e+01 2.451753793e+01 1.42 3.829182912e+01 2.016963704e+01 3.277227062e+01 3.835401341e+01 3.842560168e+01 1.264042421e+01 2.212453999e+01 3.444311257e+01 1.342869555e+01 2.264966019e+01 1.44 3.548994495e+01 1.860932641e+01 3.013824920e+01 3.554001573e+01 3.556820350e+01 1.160760998e+01 2.052197391e+01 3.192515563e+01 1.231546388e+01 2.094532854e+01 1.46 3.296185318e+01 1.719908945e+01 2.774553008e+01 3.296512374e+01 3.293762009e+01 1.062917991e+01 1.904633125e+01 2.961957902e+01 1.129760119e+01 1.933042349e+01 1.48 3.066293908e+01 1.588985159e+01 2.563487023e+01 3.058760878e+01 3.050440730e+01 9.741044699e+00 1.766040961e+01 2.748681207e+01 1.035653255e+01 1.779762402e+01 1.50 2.852184592e+01 1.461000660e+01 2.370806337e+01 2.838618632e+01 2.826324124e+01 8.918319739e+00 1.636281771e+01 2.550036390e+01 9.468669913e+00 1.634886544e+01 1.52 2.646317316e+01 1.339616430e+01 2.193142858e+01 2.632425105e+01 2.618606853e+01 8.147639020e+00 1.514310800e+01 2.363913976e+01 8.648652278e+00 1.494514147e+01 1.54 2.454428153e+01 1.228608493e+01 2.034456562e+01 2.441084353e+01 2.427479733e+01 7.458627163e+00 1.396792321e+01 2.190073485e+01 7.891834377e+00 1.364120364e+01 1.56 2.276299836e+01 1.128029086e+01 1.891813185e+01 2.264560519e+01 2.251952224e+01 6.837114764e+00 1.283016591e+01 2.029668268e+01 7.173638747e+00 1.242765636e+01 1.58 2.114465784e+01 1.033788502e+01 1.763547118e+01 2.102107738e+01 2.089903733e+01 6.278689715e+00 1.171984060e+01 1.881815666e+01 6.509513850e+00 1.132192185e+01 1.60 1.963167834e+01 9.444643063e+00 1.647885291e+01 1.951882275e+01 1.941587999e+01 5.772952721e+00 1.066415595e+01 1.742692768e+01 5.921497437e+00 1.033331144e+01 1.62 1.817782773e+01 8.631318163e+00 1.541001840e+01 1.811051649e+01 1.804023038e+01 5.316986702e+00 9.654767501e+00 1.612815401e+01 5.402184931e+00 9.446782272e+00 1.64 1.681622434e+01 7.882717467e+00 1.439637476e+01 1.679822921e+01 1.676512556e+01 4.897604659e+00 8.740468070e+00 1.492445438e+01 4.932196838e+00 8.646483047e+00 1.66 1.556264218e+01 7.260616822e+00 1.345910992e+01 1.559269907e+01 1.559804388e+01 4.520102727e+00 7.895840965e+00 1.380929434e+01 4.521827526e+00 7.883301189e+00 1.68 1.443584788e+01 6.711318630e+00 1.259506323e+01 1.448409877e+01 1.452409602e+01 4.186878595e+00 7.111606166e+00 1.278275921e+01 4.151019551e+00 7.187748237e+00 1.70 1.342847744e+01 6.186645392e+00 1.174856190e+01 1.346711971e+01 1.353670374e+01 3.859063336e+00 6.402263008e+00 1.183715121e+01 3.818422375e+00 6.583769379e+00 1.72 1.245338542e+01 5.685103507e+00 1.090953119e+01 1.250854495e+01 1.260578526e+01 3.531829136e+00 5.762757116e+00 1.094070477e+01 3.512515768e+00 6.032169831e+00 1.74 1.150918988e+01 5.218100678e+00 1.007637748e+01 1.160613603e+01 1.172489017e+01 3.221181956e+00 5.193132702e+00 1.010383867e+01 3.213596914e+00 5.524866564e+00 1.76 1.065070748e+01 4.787789803e+00 9.317879346e+00 1.077226422e+01 1.089861500e+01 2.646838812e+00 4.700137119e+00 9.340744577e+00 2.926229825e+00 5.076172276e+00 1.78 9.866554782e+00 4.388737052e+00 8.594138421e+00 9.994240689e+00 1.011703454e+01 1.924668670e+00 4.274572396e+00 8.635075176e+00 2.659453027e+00 4.679833381e+00 1.80 9.132850327e+00 3.987191211e+00 7.866731601e+00 9.266644810e+00 9.381037653e+00 1.231795473e+00 3.884775111e+00 7.995693537e+00 2.149574451e+00 4.324131578e+00 1.82 8.463598488e+00 3.626317986e+00 7.120107227e+00 8.581099961e+00 8.676082616e+00 5.928268333e-01 3.527173730e+00 7.406534129e+00 1.518551139e+00 4.009412154e+00 1.84 7.854146121e+00 3.270557495e+00 6.401150666e+00 7.942545334e+00 8.013443699e+00 2.151709528e-02 3.217775296e+00 6.852264832e+00 9.448755183e-01 3.731336328e+00 1.86 7.285339193e+00 2.917391746e+00 5.745575577e+00 7.345552392e+00 7.392303841e+00 -4.821647006e-01 2.949938643e+00 6.331106399e+00 4.299435126e-01 3.471420590e+00 1.88 6.741620580e+00 2.118686113e+00 5.156064986e+00 6.781201134e+00 6.803641437e+00 -9.219607075e-01 2.713901536e+00 5.840674411e+00 -4.339537265e-02 3.209229493e+00 1.90 6.247520032e+00 1.409565970e+00 4.621128300e+00 6.261784258e+00 6.257856433e+00 -1.301226807e+00 2.495810658e+00 5.385496097e+00 -4.853928383e-01 2.964131302e+00 1.92 5.799309404e+00 6.890219096e-01 4.139134704e+00 5.779894454e+00 5.751186303e+00 -1.626354899e+00 2.305146075e+00 4.957372158e+00 -8.929504588e-01 2.737528968e+00 1.94 5.374727967e+00 7.945381190e-02 3.710786665e+00 5.317924988e+00 5.271605453e+00 -1.904869248e+00 1.970772475e+00 4.542494226e+00 -1.260863967e+00 2.519480248e+00 1.96 4.941266859e+00 -4.426387076e-01 3.334312025e+00 4.870160063e+00 4.817546238e+00 -2.140972936e+00 1.559445343e+00 4.092160907e+00 -1.587566540e+00 2.286802078e+00 1.98 4.504284369e+00 -9.087626858e-01 3.010915416e+00 4.436343429e+00 4.384026585e+00 -2.335463601e+00 1.181324237e+00 3.690657287e+00 -1.878529909e+00 1.826899518e+00 2.00 4.096873872e+00 -1.320677932e+00 2.743010267e+00 4.026235053e+00 3.969088552e+00 -2.496185703e+00 8.286308739e-01 3.315921590e+00 -2.142589695e+00 1.212589284e+00 2.02 3.668645693e+00 -1.691408490e+00 2.485387675e+00 3.590224208e+00 3.527562278e+00 -2.665109323e+00 4.719994476e-01 2.951688053e+00 -2.405782525e+00 5.970257478e-01 2.04 3.325363265e+00 -1.996019756e+00 2.296225392e+00 3.236822378e+00 3.170279412e+00 -2.828018850e+00 1.390218964e-01 2.635382682e+00 -2.648237055e+00 3.476031542e-02 2.06 2.988638368e+00 -2.247501735e+00 1.850344866e+00 2.900042997e+00 2.834442450e+00 -3.010117128e+00 -1.892550852e-01 1.874410883e+00 -2.882262069e+00 -4.874294873e-01 2.08 2.645598036e+00 -2.458365346e+00 1.302331594e+00 2.574729837e+00 2.516657062e+00 -3.141036303e+00 -5.128101281e-01 1.101722570e+00 -3.106756744e+00 -9.598152630e-01 2.10 1.844676891e+00 -2.642831715e+00 7.674348358e-01 1.848076384e+00 1.842876075e+00 -3.245253414e+00 -8.304364913e-01 4.785414134e-01 -3.320081567e+00 -1.371856754e+00 2.12 1.083784908e+00 -2.809768715e+00 2.697140565e-01 1.102439882e+00 1.100369326e+00 -3.323745874e+00 -1.148317659e+00 -1.583689222e-02 -3.518957398e+00 -1.722267132e+00 2.14 4.704255504e-01 -2.961147615e+00 -1.847394289e-01 4.965981213e-01 4.984875659e-01 -3.374596650e+00 -1.468005721e+00 -4.173357588e-01 -3.702472380e+00 -2.020965680e+00 2.16 -2.740730394e-02 -3.096799476e+00 -6.093814647e-01 4.904649772e-03 1.289805748e-02 -3.373935120e+00 -1.782518836e+00 -7.335117202e-01 -3.855864845e+00 -2.282359088e+00 2.18 -4.279271105e-01 -3.213659271e+00 -1.005481411e+00 -3.908446390e-01 -3.773553626e-01 -3.369789302e+00 -2.086987485e+00 -9.923240993e-01 -3.939820405e+00 -2.516008643e+00 2.20 -7.452862402e-01 -3.314409395e+00 -1.374902568e+00 -7.067749897e-01 -6.920199754e-01 -3.363911279e+00 -2.378763460e+00 -1.215744258e+00 -3.998629764e+00 -2.727843558e+00 2.22 -1.005902355e+00 -3.401930317e+00 -1.713131415e+00 -9.703823191e-01 -9.585176671e-01 -3.353215799e+00 -2.660851665e+00 -1.420356453e+00 -4.034622631e+00 -2.923094322e+00 2.24 -1.206022906e+00 -3.483307969e+00 -1.999971998e+00 -1.179499395e+00 -1.172074890e+00 -3.337555204e+00 -2.925649747e+00 -1.613256627e+00 -4.062660799e+00 -3.096144683e+00 2.26 -1.376711559e+00 -3.566980905e+00 -2.239241565e+00 -1.365060622e+00 -1.360789605e+00 -3.321147028e+00 -3.173986455e+00 -1.809822467e+00 -4.070445594e+00 -3.255358650e+00 2.28 -1.551460069e+00 -3.655300865e+00 -2.431463637e+00 -1.551600979e+00 -1.544940111e+00 -3.317272587e+00 -3.405622876e+00 -2.007684099e+00 -4.054476164e+00 -3.406078800e+00 2.30 -1.742387129e+00 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