# 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 = Mo2TiW # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 8.609446224e+02 8.609446224e+02 1.08 7.778967617e+02 7.778967617e+02 1.10 7.036306958e+02 7.036306958e+02 1.12 6.367874343e+02 6.367874343e+02 1.14 5.768921209e+02 5.768921209e+02 1.16 5.232295170e+02 5.232295170e+02 1.18 4.749369519e+02 4.749369519e+02 1.20 4.310641482e+02 4.310641482e+02 1.22 3.915001073e+02 3.915001073e+02 1.24 3.559509208e+02 3.559509208e+02 1.26 3.238533096e+02 3.238533096e+02 1.28 2.949519024e+02 2.949519024e+02 1.30 2.689258538e+02 2.689258538e+02 1.32 2.453601066e+02 2.453601066e+02 1.34 2.240301744e+02 2.240301744e+02 1.36 2.046067256e+02 2.046067256e+02 1.38 1.871463496e+02 1.871463496e+02 1.40 1.715224591e+02 1.715224591e+02 1.42 1.574259436e+02 1.574259436e+02 1.44 1.445543605e+02 1.445543605e+02 1.46 1.326505513e+02 1.326505513e+02 1.48 1.217149265e+02 1.217149265e+02 1.50 1.117233184e+02 1.117233184e+02 1.52 1.024895654e+02 1.024895654e+02 1.54 9.397514644e+01 9.397514644e+01 1.56 8.620729190e+01 8.620729190e+01 1.58 7.912414035e+01 7.912414035e+01 1.60 7.275542871e+01 7.275542871e+01 1.62 6.688101563e+01 6.688101563e+01 1.64 6.136828262e+01 6.136828262e+01 1.66 5.627834181e+01 5.627834181e+01 1.68 5.168509996e+01 5.168509996e+01 1.70 4.750640977e+01 4.750640977e+01 1.72 4.361803922e+01 4.361803922e+01 1.74 3.997311618e+01 3.997311618e+01 1.76 3.658758869e+01 3.658758869e+01 1.78 3.350453599e+01 3.350453599e+01 1.80 3.073572337e+01 3.073572337e+01 1.82 2.821711298e+01 2.821711298e+01 1.84 2.591122097e+01 2.591122097e+01 1.86 2.377593645e+01 2.377593645e+01 1.88 2.178844234e+01 2.178844234e+01 1.90 1.993517063e+01 1.993517063e+01 1.92 1.814740628e+01 1.814740628e+01 1.94 1.635968952e+01 1.635968952e+01 1.96 1.456779137e+01 1.456779137e+01 1.98 1.283634017e+01 1.283634017e+01 2.00 1.119532248e+01 1.119532248e+01 2.02 9.673535682e+00 9.673535682e+00 2.04 8.325394432e+00 8.325394432e+00 2.06 7.116526207e+00 7.116526207e+00 2.08 6.009984777e+00 6.009984777e+00 2.10 5.020423021e+00 5.020423021e+00 2.12 4.146578897e+00 4.146578897e+00 2.14 3.376972292e+00 3.376972292e+00 2.16 2.704697926e+00 2.704697926e+00 2.18 2.115273682e+00 2.115273682e+00 2.20 1.390160717e+00 1.390160717e+00 2.22 7.599915064e-01 7.599915064e-01 2.24 2.535526520e-01 2.535526520e-01 2.26 -3.432348568e-01 -3.432348568e-01 2.28 -1.070667865e+00 -1.070667865e+00 2.30 -1.652363706e+00 -1.652363706e+00 2.32 -2.141376993e+00 -2.141376993e+00 2.34 -2.582153766e+00 -2.582153766e+00 2.36 -3.111698779e+00 -3.111698779e+00 2.38 -3.626195540e+00 -3.626195540e+00 2.40 -4.070956220e+00 -4.070956220e+00 2.42 -4.460277263e+00 -4.460277263e+00 2.44 -4.795783989e+00 -4.795783989e+00 2.46 -5.081167945e+00 -5.081167945e+00 2.48 -5.326933437e+00 -5.326933437e+00 2.50 -5.549500797e+00 -5.549500797e+00 2.52 -5.758097206e+00 -5.758097206e+00 2.54 -5.963044212e+00 -5.963044212e+00 2.56 -6.149696593e+00 -6.149696593e+00 2.58 -6.321169522e+00 -6.321169522e+00 2.60 -6.472818908e+00 -6.472818908e+00 2.62 -6.595432684e+00 -6.595432684e+00 2.64 -6.686768274e+00 -6.686768274e+00 2.66 -6.754541939e+00 -6.754541939e+00 2.68 -6.805488879e+00 -6.805488879e+00 2.70 -6.848498990e+00 -6.848498990e+00 2.72 -6.882187541e+00 -6.882187541e+00 2.74 -6.905880537e+00 -6.905880537e+00 2.76 -6.919475431e+00 -6.919475431e+00 2.78 -6.919039575e+00 -6.919039575e+00 2.80 -6.901519051e+00 -6.901519051e+00 2.82 -6.862937541e+00 -6.862937541e+00 2.84 -6.803621721e+00 -6.803621721e+00 2.86 -6.733606670e+00 -6.733606670e+00 2.88 -6.664427661e+00 -6.664427661e+00 2.90 -6.604617621e+00 -6.604617621e+00 2.92 -6.550759095e+00 -6.550759095e+00 2.94 -6.481436702e+00 -6.481436702e+00 2.96 -6.400314354e+00 -6.400314354e+00 2.98 -6.308008468e+00 -6.308008468e+00 3.00 -6.209150954e+00 -6.209150954e+00 3.02 -6.115891081e+00 -6.115891081e+00 3.04 -6.037672547e+00 -6.037672547e+00 3.06 -5.973072561e+00 -5.973072561e+00 3.08 -5.910935917e+00 -5.910935917e+00 3.10 -5.853551209e+00 -5.853551209e+00 3.12 -5.783801398e+00 -5.783801398e+00 3.14 -5.687621301e+00 -5.687621301e+00 3.16 -5.577004286e+00 -5.577004286e+00 3.18 -5.440959705e+00 -5.440959705e+00 3.20 -5.285864621e+00 -5.285864621e+00 3.22 -5.153425595e+00 -5.153425595e+00 3.24 -5.062941191e+00 -5.062941191e+00 3.26 -4.992481666e+00 -4.992481666e+00 3.28 -4.920351299e+00 -4.920351299e+00 3.30 -4.840045794e+00 -4.840045794e+00 3.32 -4.750628256e+00 -4.750628256e+00 3.34 -4.644191666e+00 -4.644191666e+00 3.36 -4.525074083e+00 -4.525074083e+00 3.38 -4.409788070e+00 -4.409788070e+00 3.40 -4.299886087e+00 -4.299886087e+00 3.42 -4.198210398e+00 -4.198210398e+00 3.44 -4.103676670e+00 -4.103676670e+00 3.46 -4.014827082e+00 -4.014827082e+00 3.48 -3.930412043e+00 -3.930412043e+00 3.50 -3.850111601e+00 -3.850111601e+00 3.52 -3.774123224e+00 -3.774123224e+00 3.54 -3.702753783e+00 -3.702753783e+00 3.56 -3.637441265e+00 -3.637441265e+00 3.58 -3.578181695e+00 -3.578181695e+00 3.60 -3.523340661e+00 -3.523340661e+00 3.62 -3.471704513e+00 -3.471704513e+00 3.64 -3.421967703e+00 -3.421967703e+00 3.66 -3.372755196e+00 -3.372755196e+00 3.68 -3.321008037e+00 -3.321008037e+00 3.70 -3.261021381e+00 -3.261021381e+00 3.72 -3.188348178e+00 -3.188348178e+00 3.74 -3.103325827e+00 -3.103325827e+00 3.76 -3.009776622e+00 -3.009776622e+00 3.78 -2.910443489e+00 -2.910443489e+00 3.80 -2.809800836e+00 -2.809800836e+00 3.82 -2.693869586e+00 -2.693869586e+00 3.84 -2.559987947e+00 -2.559987947e+00 3.86 -2.414869263e+00 -2.414869263e+00 3.88 -2.264829512e+00 -2.264829512e+00 3.90 -2.118964017e+00 -2.118964017e+00 3.92 -1.988657224e+00 -1.988657224e+00 3.94 -1.880263867e+00 -1.880263867e+00 3.96 -1.790234793e+00 -1.790234793e+00 3.98 -1.714497563e+00 -1.714497563e+00 4.00 -1.649997651e+00 -1.649997651e+00 4.02 -1.594388241e+00 -1.594388241e+00 4.04 -1.545847064e+00 -1.545847064e+00 4.06 -1.502906220e+00 -1.502906220e+00 4.08 -1.464980275e+00 -1.464980275e+00 4.10 -1.432635586e+00 -1.432635586e+00 4.12 -1.405889209e+00 -1.405889209e+00 4.14 -1.384239990e+00 -1.384239990e+00 4.16 -1.366983334e+00 -1.366983334e+00 4.18 -1.353292813e+00 -1.353292813e+00 4.20 -1.342352480e+00 -1.342352480e+00 4.22 -1.334046191e+00 -1.334046191e+00 4.24 -1.328595249e+00 -1.328595249e+00 4.26 -1.326136903e+00 -1.326136903e+00 4.28 -1.326807645e+00 -1.326807645e+00 4.30 -1.330734219e+00 -1.330734219e+00 4.32 -1.338046735e+00 -1.338046735e+00 4.34 -1.348657240e+00 -1.348657240e+00 4.36 -1.361655735e+00 -1.361655735e+00 4.38 -1.375928315e+00 -1.375928315e+00 4.40 -1.390370154e+00 -1.390370154e+00 4.42 -1.403858330e+00 -1.403858330e+00 4.44 -1.415250646e+00 -1.415250646e+00 4.46 -1.423447533e+00 -1.423447533e+00 4.48 -1.428088231e+00 -1.428088231e+00 4.50 -1.429953162e+00 -1.429953162e+00 4.52 -1.429958512e+00 -1.429958512e+00 4.54 -1.429003833e+00 -1.429003833e+00 4.56 -1.427957866e+00 -1.427957866e+00 4.58 -1.427258229e+00 -1.427258229e+00 4.60 -1.426526637e+00 -1.426526637e+00 4.62 -1.424743977e+00 -1.424743977e+00 4.64 -1.420308145e+00 -1.420308145e+00 4.66 -1.411652912e+00 -1.411652912e+00 4.68 -1.397710661e+00 -1.397710661e+00 4.70 -1.378368411e+00 -1.378368411e+00 4.72 -1.354358683e+00 -1.354358683e+00 4.74 -1.326520870e+00 -1.326520870e+00 4.76 -1.296341406e+00 -1.296341406e+00 4.78 -1.265202611e+00 -1.265202611e+00 4.80 -1.234801611e+00 -1.234801611e+00 4.82 -1.206965574e+00 -1.206965574e+00 4.84 -1.183333804e+00 -1.183333804e+00 4.86 -1.165469219e+00 -1.165469219e+00 4.88 -1.154052484e+00 -1.154052484e+00 4.90 -1.147696025e+00 -1.147696025e+00 4.92 -1.144566305e+00 -1.144566305e+00 4.94 -1.143111450e+00 -1.143111450e+00 4.96 -1.142145845e+00 -1.142145845e+00 4.98 -1.140590161e+00 -1.140590161e+00 5.00 -1.137443162e+00 -1.137443162e+00 5.02 -1.132720835e+00 -1.132720835e+00 5.04 -1.127465158e+00 -1.127465158e+00 5.06 -1.121490768e+00 -1.121490768e+00 5.08 -1.114149931e+00 -1.114149931e+00 5.10 -1.104904567e+00 -1.104904567e+00 5.12 -1.093377472e+00 -1.093377472e+00 5.14 -1.079254991e+00 -1.079254991e+00 5.16 -1.061942193e+00 -1.061942193e+00 5.18 -1.041435973e+00 -1.041435973e+00 5.20 -1.018014688e+00 -1.018014688e+00 5.22 -9.919566653e-01 -9.919566653e-01 5.24 -9.635378432e-01 -9.635378432e-01 5.26 -9.331678180e-01 -9.331678180e-01 5.28 -9.023445488e-01 -9.023445488e-01 5.30 -8.728617448e-01 -8.728617448e-01 5.32 -8.463038371e-01 -8.463038371e-01 5.34 -8.242533086e-01 -8.242533086e-01 5.36 -8.083142812e-01 -8.083142812e-01 5.38 -7.974373118e-01 -7.974373118e-01 5.40 -7.826153243e-01 -7.826153243e-01 5.42 -7.628923347e-01 -7.628923347e-01 5.44 -7.392869227e-01 -7.392869227e-01 5.46 -7.129412722e-01 -7.129412722e-01 5.48 -6.850061238e-01 -6.850061238e-01 5.50 -6.566487383e-01 -6.566487383e-01 5.52 -6.290475756e-01 -6.290475756e-01 5.54 -6.033631636e-01 -6.033631636e-01 5.56 -5.802274198e-01 -5.802274198e-01 5.58 -5.596541955e-01 -5.596541955e-01 5.60 -5.415444162e-01 -5.415444162e-01 5.62 -5.258680640e-01 -5.258680640e-01 5.64 -5.126867676e-01 -5.126867676e-01 5.66 -5.020486008e-01 -5.020486008e-01 5.68 -4.938089485e-01 -4.938089485e-01 5.70 -4.877338981e-01 -4.877338981e-01 5.72 -4.839407930e-01 -4.839407930e-01 5.74 -4.823390510e-01 -4.823390510e-01 5.76 -4.825610447e-01 -4.825610447e-01 5.78 -4.841936956e-01 -4.841936956e-01 5.80 -4.868534477e-01 -4.868534477e-01 5.82 -4.902954118e-01 -4.902954118e-01 5.84 -4.939967932e-01 -4.939967932e-01 5.86 -4.972776848e-01 -4.972776848e-01 5.88 -4.994938201e-01 -4.994938201e-01 5.90 -5.000171719e-01 -5.000171719e-01 5.92 -4.982073840e-01 -4.982073840e-01 5.94 -4.933537436e-01 -4.933537436e-01 5.96 -4.846993080e-01 -4.846993080e-01 5.98 -4.719098952e-01 -4.719098952e-01 6.00 -4.547245105e-01 -4.547245105e-01