# 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 = TiW3 # 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 3.467919403e+02 nan nan 0.98 3.120876544e+02 nan nan 1.00 2.805707511e+02 nan nan 1.02 2.518238793e+02 nan nan 1.04 2.262206329e+02 nan nan 1.06 2.031409484e+02 3.211010133e+02 nan 1.08 1.822588398e+02 2.917658102e+02 3.347452310e+02 1.10 1.636947668e+02 2.652113100e+02 3.035397730e+02 1.12 1.474096239e+02 2.408407566e+02 2.766068286e+02 1.14 1.327015795e+02 2.180020607e+02 2.538607176e+02 1.16 1.191851609e+02 1.972423408e+02 2.335603093e+02 1.18 1.077455739e+02 1.788653001e+02 2.133720978e+02 1.20 9.787794653e+01 1.622479981e+02 1.945946429e+02 1.22 8.928130343e+01 1.471522866e+02 1.770390448e+02 1.24 8.097070627e+01 1.334662045e+02 1.622238613e+02 1.26 7.314129413e+01 1.211431907e+02 1.513627298e+02 1.28 6.594941745e+01 1.101341024e+02 1.445043245e+02 1.30 5.972741563e+01 1.002520289e+02 1.360349686e+02 1.32 5.449904916e+01 9.107359588e+01 1.265202551e+02 1.34 5.042863002e+01 8.257601449e+01 1.170355055e+02 1.36 4.603605063e+01 7.480657490e+01 1.080936098e+02 1.38 4.150527848e+01 6.798463936e+01 1.001971547e+02 1.40 3.737355333e+01 6.188030243e+01 9.348250533e+01 1.42 3.394090641e+01 5.647507801e+01 8.740101256e+01 1.44 3.090282599e+01 5.175472634e+01 8.157765553e+01 1.46 2.828865381e+01 4.757961623e+01 7.646582934e+01 1.48 2.585542324e+01 4.381102975e+01 7.183169846e+01 1.50 2.325679853e+01 4.025294999e+01 6.793239756e+01 1.52 2.072119904e+01 3.680050381e+01 6.448086625e+01 1.54 1.853348307e+01 3.349984616e+01 6.039699084e+01 1.56 1.676810544e+01 3.035167175e+01 5.536042246e+01 1.58 1.541212397e+01 2.741939933e+01 4.938983998e+01 1.60 1.439530517e+01 2.476736543e+01 4.417886942e+01 1.62 1.364454252e+01 2.240113192e+01 3.985045352e+01 1.64 1.283911892e+01 2.025794035e+01 3.605073114e+01 1.66 1.169259931e+01 1.830500699e+01 3.292028446e+01 1.68 1.025720520e+01 1.652791208e+01 3.043626347e+01 1.70 8.769870766e+00 1.491997028e+01 2.856981702e+01 1.72 7.528573762e+00 1.349251413e+01 2.662407559e+01 1.74 6.499881693e+00 1.222995644e+01 2.478873209e+01 1.76 5.583091170e+00 1.108348563e+01 2.323851723e+01 1.78 4.768192045e+00 1.003486153e+01 2.177202834e+01 1.80 4.104292047e+00 9.061878177e+00 2.023785239e+01 1.82 3.564277975e+00 8.150350566e+00 1.860714932e+01 1.84 3.011470245e+00 7.347119906e+00 1.685407553e+01 1.86 2.499931043e+00 6.679414309e+00 1.509468944e+01 1.88 2.030240395e+00 6.141892229e+00 1.342965321e+01 1.90 1.631183647e+00 5.718312839e+00 1.170454855e+01 1.92 1.324396802e+00 5.412904455e+00 1.001737478e+01 1.94 1.083269792e+00 5.210985695e+00 8.539830139e+00 1.96 8.701105569e-01 5.030033403e+00 7.334896324e+00 1.98 6.823158816e-01 4.797720921e+00 6.346019572e+00 2.00 5.224430135e-01 4.478401016e+00 5.512412325e+00 2.02 3.736096403e-01 4.122610790e+00 4.824924721e+00 2.04 2.171172792e-01 3.756470157e+00 4.310343126e+00 2.06 4.710280414e-02 3.351914844e+00 3.752532543e+00 2.08 -1.537007420e-01 2.878542656e+00 3.144722559e+00 2.10 -8.181549093e-01 2.367534996e+00 2.639432369e+00 2.12 -1.560560296e+00 1.840393339e+00 2.250148754e+00 2.14 -2.147648350e+00 1.324285099e+00 1.951070182e+00 2.16 -2.945865349e+00 8.346000948e-01 1.708172793e+00 2.18 -3.623749546e+00 3.607007740e-01 1.484523876e+00 2.20 -4.269766894e+00 -1.203891657e-01 1.229535263e+00 2.22 -4.881194157e+00 -5.603001933e-01 9.513124307e-01 2.24 -5.415088679e+00 -9.196796911e-01 6.616936367e-01 2.26 -5.884059901e+00 -1.188032496e+00 3.551985414e-01 2.28 -6.262119136e+00 -1.375200002e+00 6.475729218e-02 2.30 -6.575489022e+00 -1.659401961e+00 -1.710387905e-01 2.32 -6.857349830e+00 -1.963805746e+00 -3.704365779e-01 2.34 -7.104064495e+00 -2.606310221e+00 -7.109864670e-01 2.36 -7.310221087e+00 -3.210920980e+00 -1.485637886e+00 2.38 -7.470712583e+00 -3.974062854e+00 -2.377073853e+00 2.40 -7.603413696e+00 -4.651113113e+00 -3.131716133e+00 2.42 -7.705611522e+00 -5.164212690e+00 -3.787450137e+00 2.44 -7.773577240e+00 -5.547675055e+00 -4.387462802e+00 2.46 -7.815000197e+00 -5.878104242e+00 -4.928139039e+00 2.48 -7.836692446e+00 -6.204478415e+00 -5.396705084e+00 2.50 -7.849083765e+00 -6.519301613e+00 -5.745572479e+00 2.52 -7.851676279e+00 -6.777167584e+00 -6.007678748e+00 2.54 -7.844643340e+00 -7.000666292e+00 -6.221337365e+00 2.56 -7.833111246e+00 -7.171499634e+00 -6.385512754e+00 2.58 -7.807198245e+00 -7.305093978e+00 -6.510005947e+00 2.60 -7.767479390e+00 -7.422366415e+00 -6.595823969e+00 2.62 -7.714375564e+00 -7.537545605e+00 -6.650554839e+00 2.64 -7.651227956e+00 -7.642339022e+00 -6.699738850e+00 2.66 -7.580742321e+00 -7.729168132e+00 -6.769889342e+00 2.68 -7.504179246e+00 -7.795459967e+00 -6.878364775e+00 2.70 -7.424337659e+00 -7.839384904e+00 -7.021084961e+00 2.72 -7.339819370e+00 -7.865652240e+00 -7.175890357e+00 2.74 -7.247553098e+00 -7.877050494e+00 -7.330914965e+00 2.76 -7.156393131e+00 -7.883937569e+00 -7.401147940e+00 2.78 -7.075126971e+00 -7.886050276e+00 -7.463855427e+00 2.80 -7.000351613e+00 -7.880913746e+00 -7.505226883e+00 2.82 -6.927366820e+00 -7.865978066e+00 -7.523886164e+00 2.84 -6.852585962e+00 -7.842308199e+00 -7.533469710e+00 2.86 -6.773433190e+00 -7.809110512e+00 -7.532320418e+00 2.88 -6.692083293e+00 -7.765319530e+00 -7.534867266e+00 2.90 -6.611432020e+00 -7.709493331e+00 -7.539012164e+00 2.92 -6.533999398e+00 -7.642519602e+00 -7.542468799e+00 2.94 -6.461433920e+00 -7.558023131e+00 -7.550344078e+00 2.96 -6.393065351e+00 -7.472150762e+00 -7.521025110e+00 2.98 -6.326688992e+00 -7.374058501e+00 -7.466294008e+00 3.00 -6.260820994e+00 -7.273900679e+00 -7.395955698e+00 3.02 -6.194990003e+00 -7.178928392e+00 -7.299665576e+00 3.04 -6.119605893e+00 -7.097374601e+00 -7.217374154e+00 3.06 -6.013760702e+00 -7.024250694e+00 -7.142781641e+00 3.08 -5.841996647e+00 -6.953853176e+00 -7.071794246e+00 3.10 -5.690698979e+00 -6.883001613e+00 -7.004123383e+00 3.12 -5.550654717e+00 -6.804146954e+00 -6.933643608e+00 3.14 -5.424801982e+00 -6.710196720e+00 -6.858304817e+00 3.16 -5.317091486e+00 -6.581627638e+00 -6.781054736e+00 3.18 -5.054273402e+00 -6.445824660e+00 -6.707117837e+00 3.20 -4.660262570e+00 -6.321952823e+00 -6.643942895e+00 3.22 -4.268017344e+00 -6.215589633e+00 -6.591210945e+00 3.24 -3.909072318e+00 -6.128137652e+00 -6.544111691e+00 3.26 -3.613482511e+00 -6.053266498e+00 -6.497882870e+00 3.28 -3.382557578e+00 -5.982986108e+00 -6.446481979e+00 3.30 -3.204446918e+00 -5.903895784e+00 -6.389062298e+00 3.32 -3.059099664e+00 -5.787633567e+00 -6.331454839e+00 3.34 -2.937291464e+00 -5.678187762e+00 -6.281332847e+00 3.36 -2.839729093e+00 -5.568629853e+00 -6.247520883e+00 3.38 -2.765901934e+00 -5.465378117e+00 -6.234885985e+00 3.40 -2.713777673e+00 -5.398039205e+00 -6.220450596e+00 3.42 -2.687398024e+00 -5.332128442e+00 -6.198397927e+00 3.44 -2.681239567e+00 -5.262341801e+00 -6.168366122e+00 3.46 -2.672635656e+00 -5.169858878e+00 -6.128017954e+00 3.48 -2.670081940e+00 -5.064489807e+00 -6.082345887e+00 3.50 -2.682650697e+00 -4.962904796e+00 -6.033684169e+00 3.52 -2.708929806e+00 -4.870693114e+00 -5.980276176e+00 3.54 -2.748233095e+00 -4.795836182e+00 -5.918701542e+00 3.56 -2.795231718e+00 -4.748343482e+00 -5.861025409e+00 3.58 -2.837392223e+00 -4.731029548e+00 -5.813469677e+00 3.60 -2.881461356e+00 -4.727869984e+00 -5.767723898e+00 3.62 -2.921415890e+00 -4.722037151e+00 -5.713336360e+00 3.64 -2.948541031e+00 -4.695013935e+00 -5.648784770e+00 3.66 -2.958685058e+00 -4.641237123e+00 -5.573251750e+00 3.68 -2.954122166e+00 -4.568334586e+00 -5.487676907e+00 3.70 -2.940558969e+00 -4.484524501e+00 -5.393801301e+00 3.72 -2.927069036e+00 -4.399580656e+00 -5.291175303e+00 3.74 -2.920309929e+00 -4.319182387e+00 -5.177722827e+00 3.76 -2.923825072e+00 -4.237049870e+00 -5.057272040e+00 3.78 -2.933920091e+00 -4.145902067e+00 -4.942825359e+00 3.80 -2.943560959e+00 -4.032884773e+00 -4.837905021e+00 3.82 -2.948088816e+00 -3.894379130e+00 -4.718056368e+00 3.84 -2.944569509e+00 -3.705917669e+00 -4.498787781e+00 3.86 -2.930323562e+00 -3.498717761e+00 -4.181774195e+00 3.88 -2.903816856e+00 -3.286109961e+00 -3.834724347e+00 3.90 -2.869387417e+00 -3.077141395e+00 -3.497909760e+00 3.92 -2.832472678e+00 -2.883771293e+00 -3.184715280e+00 3.94 -2.797674464e+00 -2.717637386e+00 -2.907060564e+00 3.96 -2.766480810e+00 -2.574139134e+00 -2.664960024e+00 3.98 -2.740069549e+00 -2.453509373e+00 -2.449511088e+00 4.00 -2.718191205e+00 -2.358521431e+00 -2.247051356e+00 4.02 -2.700261584e+00 -2.285772776e+00 -2.059762474e+00 4.04 -2.685848018e+00 -2.228968949e+00 -1.886855361e+00 4.06 -2.673933308e+00 -2.181206110e+00 -1.725236389e+00 4.08 -2.663613785e+00 -2.137209594e+00 -1.577053247e+00 4.10 -2.654305631e+00 -2.094348572e+00 -1.451433422e+00 4.12 -2.644847276e+00 -2.051983627e+00 -1.357546756e+00 4.14 -2.633300312e+00 -2.011321820e+00 -1.294260015e+00 4.16 -2.617898729e+00 -1.974427608e+00 -1.255997757e+00 4.18 -2.597569725e+00 -1.944178534e+00 -1.233224039e+00 4.20 -2.571741024e+00 -1.921017168e+00 -1.213518067e+00 4.22 -2.541508364e+00 -1.906791562e+00 -1.188771469e+00 4.24 -2.508790425e+00 -1.905069247e+00 -1.163645690e+00 4.26 -2.475256880e+00 -1.916099405e+00 -1.146796556e+00 4.28 -2.442591885e+00 -1.938068015e+00 -1.148516349e+00 4.30 -2.412507016e+00 -1.968592755e+00 -1.178727961e+00 4.32 -2.385487233e+00 -2.005851362e+00 -1.239629417e+00 4.34 -2.359376977e+00 -2.048244453e+00 -1.324161105e+00 4.36 -2.331465265e+00 -2.093925744e+00 -1.423556982e+00 4.38 -2.299657503e+00 -2.140750311e+00 -1.528887795e+00 4.40 -2.261952984e+00 -2.186119854e+00 -1.632082385e+00 4.42 -2.216541611e+00 -2.227024931e+00 -1.728750640e+00 4.44 -2.164400305e+00 -2.260349327e+00 -1.815582351e+00 4.46 -2.107933193e+00 -2.283897148e+00 -1.890110058e+00 4.48 -2.049973561e+00 -2.298467483e+00 -1.952303048e+00 4.50 -1.993890406e+00 -2.307400230e+00 -2.006168563e+00 4.52 -1.943704870e+00 -2.314113763e+00 -2.055745636e+00 4.54 -1.901323940e+00 -2.321918956e+00 -2.104655847e+00 4.56 -1.864221357e+00 -2.334108829e+00 -2.156168186e+00 4.58 -1.828894481e+00 -2.353133254e+00 -2.213156794e+00 4.60 -1.791629572e+00 -2.379641449e+00 -2.277847659e+00 4.62 -1.747974741e+00 -2.411523413e+00 -2.348675531e+00 4.64 -1.693093441e+00 -2.444604547e+00 -2.421141860e+00 4.66 -1.630221517e+00 -2.475133038e+00 -2.491369672e+00 4.68 -1.568726637e+00 -2.499686080e+00 -2.556080817e+00 4.70 -1.520422972e+00 -2.515873128e+00 -2.612381211e+00 4.72 -1.496161299e+00 -2.522556245e+00 -2.657566735e+00 4.74 -1.505269869e+00 -2.519001372e+00 -2.689388431e+00 4.76 -1.547081033e+00 -2.506697365e+00 -2.708603965e+00 4.78 -1.601934513e+00 -2.488166336e+00 -2.717273296e+00 4.80 -1.651705282e+00 -2.465855521e+00 -2.717339058e+00 4.82 -1.685045838e+00 -2.440898210e+00 -2.710690719e+00 4.84 -1.691696551e+00 -2.413326959e+00 -2.699219471e+00 4.86 -1.663037359e+00 -2.383113096e+00 -2.684837487e+00 4.88 -1.603733256e+00 -2.349968863e+00 -2.669198233e+00 4.90 -1.521653834e+00 -2.312661701e+00 -2.652851856e+00 4.92 -1.423666723e+00 -2.270030432e+00 -2.636058753e+00 4.94 -1.325229464e+00 -2.224009248e+00 -2.619069192e+00 4.96 -1.247784111e+00 -2.178227571e+00 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