# 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 = Mo # 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 6.059291009e+02 nan 0.80 nan nan nan nan nan nan nan nan 5.513211580e+02 nan 0.82 nan nan nan nan nan nan nan nan 5.018316297e+02 nan 0.84 nan nan nan nan nan 3.939104518e+02 nan nan 4.574949400e+02 nan 0.86 nan nan nan nan nan 3.603513934e+02 nan nan 4.174381815e+02 nan 0.88 nan nan nan nan nan 3.298737132e+02 nan nan 3.812931634e+02 nan 0.90 nan nan nan nan nan 3.023237555e+02 nan nan 3.487551727e+02 nan 0.92 nan nan nan nan nan 2.774922765e+02 nan nan 3.195828859e+02 nan 0.94 nan nan nan 6.552054015e+02 6.554089238e+02 2.547715408e+02 nan nan 2.933115652e+02 4.254263179e+02 0.96 nan 3.893938296e+02 nan 6.061547147e+02 6.064174109e+02 2.340922064e+02 3.973525536e+02 nan 2.697175102e+02 3.914615436e+02 0.98 nan 3.585828801e+02 nan 5.611301750e+02 5.615324247e+02 2.158039398e+02 3.655950811e+02 nan 2.482745004e+02 3.610289434e+02 1.00 nan 3.307275568e+02 nan 5.197234750e+02 5.201367763e+02 1.990216451e+02 3.365867209e+02 nan 2.287630692e+02 3.333688535e+02 1.02 nan 3.050022922e+02 nan 4.817003427e+02 4.819472416e+02 1.834424982e+02 3.105612989e+02 nan 2.108485815e+02 3.080297780e+02 1.04 nan 2.812684379e+02 nan 4.471439904e+02 4.472536021e+02 1.687748872e+02 2.869042483e+02 nan 1.944414954e+02 2.848005877e+02 1.06 nan 2.593472987e+02 nan 4.148963524e+02 4.148754362e+02 1.554035280e+02 2.652743347e+02 3.842570814e+02 1.792575357e+02 2.637383952e+02 1.08 3.856201199e+02 2.392630881e+02 3.425089837e+02 3.855447531e+02 3.854029146e+02 1.432169151e+02 2.456517935e+02 3.564707502e+02 1.652384346e+02 2.445168122e+02 1.10 3.583747483e+02 2.206468517e+02 3.179089990e+02 3.583083562e+02 3.581320597e+02 1.323201726e+02 2.276504379e+02 3.305211528e+02 1.523163105e+02 2.265997714e+02 1.12 3.327892350e+02 2.035633155e+02 2.948130083e+02 3.328519163e+02 3.326744510e+02 1.221580329e+02 2.110971759e+02 3.064177359e+02 1.404303485e+02 2.101536302e+02 1.14 3.089767490e+02 1.879189511e+02 2.737620635e+02 3.090774606e+02 3.090022303e+02 1.129459039e+02 1.958386691e+02 2.841739709e+02 1.296349134e+02 1.949140180e+02 1.16 2.869201185e+02 1.737745447e+02 2.542330577e+02 2.869021366e+02 2.869505100e+02 1.044597998e+02 1.818851606e+02 2.636624120e+02 1.196381263e+02 1.807969386e+02 1.18 2.663555944e+02 1.609194309e+02 2.359527064e+02 2.664461788e+02 2.665643594e+02 9.647037004e+01 1.690741447e+02 2.448511881e+02 1.104014177e+02 1.677723104e+02 1.20 2.478493540e+02 1.492983922e+02 2.193323466e+02 2.478260351e+02 2.479108097e+02 8.897993294e+01 1.572076905e+02 2.278134999e+02 1.018681337e+02 1.555843256e+02 1.22 2.309142161e+02 1.383892980e+02 2.040715735e+02 2.307903251e+02 2.308005654e+02 8.204438031e+01 1.460919905e+02 2.121931266e+02 9.389040965e+01 1.442468887e+02 1.24 2.152657095e+02 1.284726568e+02 1.897878119e+02 2.151984929e+02 2.151954345e+02 7.558671748e+01 1.355301121e+02 1.977789269e+02 8.668079342e+01 1.338579673e+02 1.26 2.009985448e+02 1.193292811e+02 1.766780500e+02 2.008930000e+02 2.008400795e+02 6.963780050e+01 1.258365355e+02 1.844314355e+02 8.006640834e+01 1.243605355e+02 1.28 1.875010203e+02 1.107969612e+02 1.647792696e+02 1.874244187e+02 1.873147089e+02 6.429853286e+01 1.167944262e+02 1.719173259e+02 7.390329083e+01 1.153647224e+02 1.30 1.750418845e+02 1.030531116e+02 1.538955156e+02 1.750006277e+02 1.748622835e+02 5.948785255e+01 1.084750810e+02 1.603817658e+02 6.820064306e+01 1.072884181e+02 1.32 1.635799593e+02 9.587397120e+01 1.437920301e+02 1.635104796e+02 1.633592020e+02 5.510965946e+01 1.006616282e+02 1.497936482e+02 6.295356889e+01 9.977051166e+01 1.34 1.529215361e+02 8.909331468e+01 1.342817361e+02 1.528643936e+02 1.527429847e+02 5.105743409e+01 9.320602192e+01 1.399382615e+02 5.807895715e+01 9.266422151e+01 1.36 1.430170528e+02 8.283748618e+01 1.253575008e+02 1.430076704e+02 1.429445697e+02 4.717618591e+01 8.617158790e+01 1.307304350e+02 5.358592320e+01 8.593824909e+01 1.38 1.338417627e+02 7.704435809e+01 1.170917375e+02 1.338247571e+02 1.338243197e+02 4.350447844e+01 7.962192233e+01 1.221300136e+02 4.951751198e+01 7.965024491e+01 1.40 1.251661018e+02 7.156360749e+01 1.095113803e+02 1.251606696e+02 1.252140967e+02 4.014719304e+01 7.363187133e+01 1.140026697e+02 4.573531112e+01 7.384220799e+01 1.42 1.168783640e+02 6.639295159e+01 1.023918301e+02 1.169735931e+02 1.170697838e+02 3.701223825e+01 6.829331501e+01 1.063712134e+02 4.225357368e+01 6.841194131e+01 1.44 1.091202937e+02 6.166296864e+01 9.574644860e+01 1.093021857e+02 1.094433811e+02 3.416025601e+01 6.350067851e+01 9.922219325e+01 3.911787465e+01 6.339947437e+01 1.46 1.019413860e+02 5.737072006e+01 8.946993866e+01 1.021420651e+02 1.023195004e+02 3.155537925e+01 5.898511735e+01 9.258827764e+01 3.621130373e+01 5.886760345e+01 1.48 9.536620390e+01 5.322345254e+01 8.340334387e+01 9.549448568e+01 9.566476338e+01 2.906854614e+01 5.486004424e+01 8.646514611e+01 3.337882365e+01 5.469807384e+01 1.50 8.922009384e+01 4.939525298e+01 7.776597675e+01 8.930746291e+01 8.946832735e+01 2.674574308e+01 5.101587790e+01 8.070700705e+01 3.078813276e+01 5.078827817e+01 1.52 8.338486665e+01 4.580559584e+01 7.259782435e+01 8.351048040e+01 8.367810126e+01 2.462977695e+01 4.744316255e+01 7.530674205e+01 2.839319822e+01 4.724052778e+01 1.54 7.786204573e+01 4.247340574e+01 6.772556215e+01 7.806113850e+01 7.821427956e+01 2.265271175e+01 4.413515044e+01 7.036352660e+01 2.615350427e+01 4.399222128e+01 1.56 7.275069692e+01 3.939899973e+01 6.321990710e+01 7.296736601e+01 7.307781719e+01 2.085766962e+01 4.102513596e+01 6.580861200e+01 2.403088503e+01 4.092327217e+01 1.58 6.808507767e+01 3.655947231e+01 5.896235533e+01 6.823684373e+01 6.830261987e+01 1.924367391e+01 3.810282678e+01 6.157230263e+01 2.201214698e+01 3.804227665e+01 1.60 6.383952657e+01 3.386566637e+01 5.501989004e+01 6.383763713e+01 6.383258089e+01 1.771420044e+01 3.536685278e+01 5.763176378e+01 2.013077007e+01 3.540000808e+01 1.62 5.985460489e+01 3.116059831e+01 5.124676096e+01 5.973884469e+01 5.965523388e+01 1.624101993e+01 3.279814543e+01 5.393056419e+01 1.837051579e+01 3.290369507e+01 1.64 5.611167564e+01 2.872013484e+01 4.777927582e+01 5.592652142e+01 5.577056359e+01 1.488297689e+01 3.040098024e+01 5.044269128e+01 1.668219031e+01 3.050381686e+01 1.66 5.266828887e+01 2.639051734e+01 4.463598712e+01 5.238460927e+01 5.217771014e+01 1.365123423e+01 2.824009145e+01 4.716202831e+01 1.511248229e+01 2.827668170e+01 1.68 4.935468342e+01 2.417117266e+01 4.170048560e+01 4.906401165e+01 4.885788467e+01 1.251333453e+01 2.627423792e+01 4.406043845e+01 1.369839567e+01 2.616209318e+01 1.70 4.607149105e+01 2.212847347e+01 3.887928525e+01 4.591063338e+01 4.574471516e+01 1.145460734e+01 2.439002275e+01 4.113894574e+01 1.237809468e+01 2.411884779e+01 1.72 4.302261214e+01 2.023814111e+01 3.618918804e+01 4.295130151e+01 4.282367498e+01 1.046949788e+01 2.256936214e+01 3.843343155e+01 1.110421439e+01 2.225128543e+01 1.74 4.025785325e+01 1.844609078e+01 3.370922838e+01 4.018804352e+01 4.008852907e+01 9.590891639e+00 2.087871957e+01 3.590714917e+01 9.912018447e+00 2.055883886e+01 1.76 3.762978890e+01 1.673443790e+01 3.141409315e+01 3.758241737e+01 3.751701923e+01 8.811980051e+00 1.924566989e+01 3.338684284e+01 8.831717137e+00 1.893857822e+01 1.78 3.513990508e+01 1.512486632e+01 2.920452069e+01 3.514653321e+01 3.510961451e+01 8.052380887e+00 1.765561267e+01 3.119488595e+01 7.844055914e+00 1.739372432e+01 1.80 3.289564951e+01 1.362271193e+01 2.710621358e+01 3.291090746e+01 3.288240694e+01 7.299741184e+00 1.614219924e+01 2.916872387e+01 6.927738565e+00 1.600836607e+01 1.82 3.060155242e+01 1.218396398e+01 2.502401612e+01 3.060599065e+01 3.059276483e+01 6.536490271e+00 1.462564442e+01 2.717738944e+01 6.024728026e+00 1.463042381e+01 1.84 2.865399948e+01 1.090392810e+01 2.327705704e+01 2.868986047e+01 2.872026291e+01 5.938414767e+00 1.327069476e+01 2.532846323e+01 5.263969280e+00 1.341044314e+01 1.86 2.676475984e+01 9.772679668e+00 2.163689024e+01 2.687254482e+01 2.695805420e+01 5.383832122e+00 1.200015590e+01 2.350849823e+01 4.551740916e+00 1.219757646e+01 1.88 2.498075341e+01 8.760077546e+00 2.008938073e+01 2.512981054e+01 2.524870547e+01 4.858906367e+00 1.078485629e+01 2.174271112e+01 3.869985893e+00 1.106961734e+01 1.90 2.329362658e+01 7.832044042e+00 1.865204465e+01 2.342554204e+01 2.355336574e+01 4.378751052e+00 9.604632111e+00 2.004088838e+01 3.220030725e+00 1.004766900e+01 1.92 2.163175064e+01 6.971924187e+00 1.727163684e+01 2.172464951e+01 2.185251677e+01 3.919768898e+00 8.477581074e+00 1.838821789e+01 2.607569257e+00 9.066478608e+00 1.94 1.994300321e+01 6.167769441e+00 1.587266828e+01 2.002003670e+01 2.014606757e+01 3.442671131e+00 7.422246184e+00 1.677592507e+01 1.957098895e+00 8.053968989e+00 1.96 1.826478601e+01 5.394575657e+00 1.443894677e+01 1.833634334e+01 1.845042658e+01 2.483347536e+00 6.422188187e+00 1.523064551e+01 6.531507100e-01 7.027599511e+00 1.98 1.665747091e+01 4.636538822e+00 1.302427418e+01 1.672104353e+01 1.681233922e+01 1.257755062e+00 5.469805045e+00 1.378417079e+01 -3.824202733e-01 6.045303227e+00 2.00 1.514789100e+01 3.905782115e+00 1.169114996e+01 1.520180068e+01 1.527134545e+01 2.538989994e-01 4.593397261e+00 1.244366223e+01 -1.221566540e+00 5.137552365e+00 2.02 1.372722301e+01 3.220261629e+00 1.045711697e+01 1.376488094e+01 1.381378123e+01 -5.130501233e-01 3.796921074e+00 1.119359916e+01 -1.905442208e+00 4.296004164e+00 2.04 1.238336689e+01 2.505599293e+00 9.298647081e+00 1.240938140e+01 1.244044404e+01 -1.089006865e+00 3.052424470e+00 1.002216302e+01 -2.444697387e+00 3.493599060e+00 2.06 1.114121384e+01 1.330521795e+00 8.218952460e+00 1.115850716e+01 1.117272734e+01 -1.583943034e+00 2.357915391e+00 8.954111644e+00 -2.908107477e+00 2.741944107e+00 2.08 1.000982091e+01 9.909832554e-02 7.229917277e+00 1.001965561e+01 1.001522558e+01 -2.002557706e+00 1.566781782e+00 7.993427463e+00 -3.294078136e+00 2.068866971e+00 2.10 8.950103542e+00 -8.626142478e-01 6.323926612e+00 8.961551579e+00 8.939072928e+00 -2.353234807e+00 1.957398821e-01 7.109226714e+00 -3.610090848e+00 6.123443559e-01 2.12 7.965517162e+00 -1.615674418e+00 5.501253034e+00 7.974374158e+00 7.933053356e+00 -2.637268138e+00 -8.919102458e-01 6.288423442e+00 -3.856221238e+00 -5.110740690e-01 2.14 7.083994251e+00 -2.259962599e+00 4.733939116e+00 7.076631333e+00 7.016063521e+00 -2.879195623e+00 -1.762544098e+00 5.522582313e+00 -4.042312650e+00 -1.371341481e+00 2.16 6.320495728e+00 -2.846509082e+00 3.995087736e+00 6.278374425e+00 6.197739655e+00 -3.102682555e+00 -2.454938481e+00 4.800823289e+00 -4.193987177e+00 -2.047593675e+00 2.18 5.625267780e+00 -3.364826421e+00 3.301963516e+00 5.545684957e+00 5.452540670e+00 -3.317085409e+00 -2.990861310e+00 4.107923686e+00 -4.328291020e+00 -2.574131906e+00 2.20 4.934858231e+00 -3.803866252e+00 2.686822903e+00 4.841321127e+00 4.752068449e+00 -3.556258936e+00 -3.421323433e+00 3.433244493e+00 -4.447385386e+00 -2.987592741e+00 2.22 4.226317118e+00 -4.182735824e+00 1.788342805e+00 4.147077550e+00 4.079952399e+00 -3.805618775e+00 -3.771844785e+00 2.774828104e+00 -4.544472511e+00 -3.342018059e+00 2.24 3.527860602e+00 -4.517630399e+00 7.918700951e-01 3.470705697e+00 3.432172118e+00 -4.016191868e+00 -4.058515843e+00 1.662905865e+00 -4.638652558e+00 -3.662507106e+00 2.26 2.868907100e+00 -4.816818658e+00 -2.852870424e-02 2.826802784e+00 2.811434332e+00 -4.190902475e+00 -4.297030705e+00 4.597580474e-01 -4.750052793e+00 -3.958403809e+00 2.28 1.997038161e+00 -5.085458638e+00 -7.314542684e-01 1.984841256e+00 2.102765162e+00 -4.350263254e+00 -4.507342884e+00 -5.440519347e-01 -4.887475211e+00 -4.224992941e+00 2.30 6.751198475e-01 -5.325804132e+00 -1.370992699e+00 7.753711610e-01 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