# 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 = Nb3Ta # 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 1.598320221e+03 nan nan 0.98 1.407732412e+03 nan nan 1.00 1.241102425e+03 nan nan 1.02 1.095062855e+03 nan nan 1.04 9.668950146e+02 nan nan 1.06 8.542813642e+02 1.454847262e+03 nan 1.08 7.552758514e+02 1.294271046e+03 1.550165190e+03 1.10 6.680944353e+02 1.152166305e+03 1.382159536e+03 1.12 5.913770660e+02 1.026298671e+03 1.233022570e+03 1.14 5.235876630e+02 9.148864970e+02 1.100259606e+03 1.16 4.639878144e+02 8.156707146e+02 9.819902668e+02 1.18 4.113057018e+02 7.272969508e+02 8.767485574e+02 1.20 3.642869530e+02 6.486410905e+02 7.832593153e+02 1.22 3.225606862e+02 5.786266198e+02 7.006825103e+02 1.24 2.857954695e+02 5.164201613e+02 6.267521230e+02 1.26 2.533494131e+02 4.612914723e+02 5.608475190e+02 1.28 2.246624498e+02 4.123204365e+02 5.021024733e+02 1.30 1.992736965e+02 3.685982818e+02 4.498101364e+02 1.32 1.765640591e+02 3.296362413e+02 4.030018690e+02 1.34 1.563887183e+02 2.948977727e+02 3.610747448e+02 1.36 1.386450632e+02 2.638490638e+02 3.236162207e+02 1.38 1.229124015e+02 2.359282620e+02 2.901360384e+02 1.40 1.092705031e+02 2.109206304e+02 2.602049847e+02 1.42 9.677415928e+01 1.884747072e+02 2.334635522e+02 1.44 8.580190661e+01 1.683866665e+02 2.095518066e+02 1.46 7.606039030e+01 1.505148073e+02 1.880848608e+02 1.48 6.733023665e+01 1.347270035e+02 1.687339837e+02 1.50 5.960790798e+01 1.204562817e+02 1.512743780e+02 1.52 5.284947297e+01 1.076352519e+02 1.356341772e+02 1.54 4.689051619e+01 9.611798245e+01 1.216268905e+02 1.56 4.156102580e+01 8.579610065e+01 1.090726198e+02 1.58 3.683171132e+01 7.650069522e+01 9.765133944e+01 1.60 3.263512760e+01 6.808116845e+01 8.732743976e+01 1.62 2.888453687e+01 6.052971295e+01 7.808214169e+01 1.64 2.555119773e+01 5.386721406e+01 6.973710818e+01 1.66 2.262012538e+01 4.795762855e+01 6.228198015e+01 1.68 2.005205810e+01 4.267195586e+01 5.560205727e+01 1.70 1.780104586e+01 3.796542380e+01 4.956114185e+01 1.72 1.588800463e+01 3.406784071e+01 4.454697182e+01 1.74 1.404197555e+01 3.033473185e+01 3.964956858e+01 1.76 1.237024729e+01 2.700881962e+01 3.524578062e+01 1.78 1.083996817e+01 2.398997203e+01 3.131616811e+01 1.80 9.409124149e+00 2.126165236e+01 2.784502685e+01 1.82 8.100201970e+00 1.886762992e+01 2.475054007e+01 1.84 6.978051975e+00 1.679798415e+01 2.195849858e+01 1.86 5.998083025e+00 1.500736180e+01 1.947731806e+01 1.88 5.131042079e+00 1.343772342e+01 1.735052750e+01 1.90 4.337190375e+00 1.204160932e+01 1.553785768e+01 1.92 3.596630729e+00 1.077041173e+01 1.395003204e+01 1.94 2.922904044e+00 9.638760919e+00 1.250292458e+01 1.96 2.318846849e+00 8.623459414e+00 1.117249676e+01 1.98 1.721627389e+00 7.719616948e+00 9.976549714e+00 2.00 1.174886055e+00 6.912525715e+00 8.916546175e+00 2.02 6.420882685e-01 6.159858890e+00 7.954276876e+00 2.04 1.550773860e-01 5.418380033e+00 7.027088735e+00 2.06 -2.714293390e-01 4.695805455e+00 6.148942738e+00 2.08 -6.288017731e-01 4.019681500e+00 5.375398739e+00 2.10 -9.425398445e-01 3.376539981e+00 4.709692241e+00 2.12 -1.534541155e+00 2.769660680e+00 4.146827507e+00 2.14 -2.115391029e+00 2.185274541e+00 3.647148591e+00 2.16 -2.683282067e+00 1.616261552e+00 3.169907395e+00 2.18 -3.162199840e+00 1.076205197e+00 2.703191239e+00 2.20 -3.570843434e+00 5.898477259e-01 2.250333793e+00 2.22 -3.953452479e+00 1.155422800e-01 1.765882009e+00 2.24 -4.334378318e+00 -3.108729667e-01 1.340195086e+00 2.26 -4.713198289e+00 -7.235674279e-01 9.440727518e-01 2.28 -5.077426576e+00 -1.160852968e+00 5.535009055e-01 2.30 -5.398312255e+00 -1.680532467e+00 1.356491709e-01 2.32 -5.672370711e+00 -2.153595822e+00 -3.639817146e-01 2.34 -5.922614508e+00 -2.598713724e+00 -9.376387166e-01 2.36 -6.156271662e+00 -3.038490320e+00 -1.594609781e+00 2.38 -6.375307988e+00 -3.469560295e+00 -2.163674166e+00 2.40 -6.580176651e+00 -3.870820064e+00 -2.672495549e+00 2.42 -6.770711422e+00 -4.248533480e+00 -3.137789745e+00 2.44 -6.926898017e+00 -4.611661409e+00 -3.564875841e+00 2.46 -7.057306910e+00 -4.936928893e+00 -3.955381236e+00 2.48 -7.174724216e+00 -5.218588284e+00 -4.309917206e+00 2.50 -7.274273260e+00 -5.477761172e+00 -4.631079412e+00 2.52 -7.352335800e+00 -5.719273382e+00 -4.921569691e+00 2.54 -7.411915940e+00 -5.948012385e+00 -5.183477621e+00 2.56 -7.465205454e+00 -6.165858301e+00 -5.421995214e+00 2.58 -7.504431976e+00 -6.369461492e+00 -5.635190738e+00 2.60 -7.528856641e+00 -6.562162591e+00 -5.823532107e+00 2.62 -7.554955926e+00 -6.738379639e+00 -5.991213655e+00 2.64 -7.577529593e+00 -6.911901283e+00 -6.142271423e+00 2.66 -7.598915535e+00 -7.054656881e+00 -6.278092220e+00 2.68 -7.614096540e+00 -7.179429747e+00 -6.400174996e+00 2.70 -7.616452975e+00 -7.287262062e+00 -6.515040975e+00 2.72 -7.614094469e+00 -7.382829339e+00 -6.634503080e+00 2.74 -7.609252096e+00 -7.467006363e+00 -6.764377906e+00 2.76 -7.595381649e+00 -7.535674275e+00 -6.893471177e+00 2.78 -7.564746970e+00 -7.588366777e+00 -7.032328417e+00 2.80 -7.516096421e+00 -7.626212455e+00 -7.142159950e+00 2.82 -7.453236248e+00 -7.651521307e+00 -7.210383128e+00 2.84 -7.380262092e+00 -7.670706319e+00 -7.281260584e+00 2.86 -7.301559280e+00 -7.684186498e+00 -7.344337399e+00 2.88 -7.217887383e+00 -7.687419932e+00 -7.383942854e+00 2.90 -7.130647031e+00 -7.673469549e+00 -7.405898280e+00 2.92 -7.041965441e+00 -7.643294400e+00 -7.395551830e+00 2.94 -6.950204808e+00 -7.601741229e+00 -7.380434102e+00 2.96 -6.855641627e+00 -7.553725966e+00 -7.371889219e+00 2.98 -6.759032955e+00 -7.502677661e+00 -7.368508875e+00 3.00 -6.663251711e+00 -7.453779361e+00 -7.366695905e+00 3.02 -6.568356684e+00 -7.410868036e+00 -7.363999504e+00 3.04 -6.471922508e+00 -7.378048242e+00 -7.356381063e+00 3.06 -6.374716476e+00 -7.350911101e+00 -7.340039510e+00 3.08 -6.279072764e+00 -7.317609988e+00 -7.315344504e+00 3.10 -6.189008329e+00 -7.267676044e+00 -7.284745521e+00 3.12 -6.105088776e+00 -7.194620448e+00 -7.247880626e+00 3.14 -6.018849303e+00 -7.106816291e+00 -7.205150748e+00 3.16 -5.920893589e+00 -7.016233992e+00 -7.156586996e+00 3.18 -5.802224541e+00 -6.932388430e+00 -7.101825840e+00 3.20 -5.661411824e+00 -6.858247227e+00 -7.040105566e+00 3.22 -5.505158851e+00 -6.792366673e+00 -6.973050383e+00 3.24 -5.346371931e+00 -6.733270655e+00 -6.905036194e+00 3.26 -5.196471266e+00 -6.676178097e+00 -6.840191129e+00 3.28 -5.054343813e+00 -6.618141984e+00 -6.779493249e+00 3.30 -4.922806167e+00 -6.556808242e+00 -6.724030256e+00 3.32 -4.812736430e+00 -6.490320415e+00 -6.676619468e+00 3.34 -4.724021232e+00 -6.416623097e+00 -6.640428670e+00 3.36 -4.652251240e+00 -6.333740143e+00 -6.618322402e+00 3.38 -4.587673178e+00 -6.239942298e+00 -6.605288222e+00 3.40 -4.523595546e+00 -6.134066530e+00 -6.591407358e+00 3.42 -4.460980822e+00 -6.016922204e+00 -6.567419096e+00 3.44 -4.395687649e+00 -5.890545047e+00 -6.525014586e+00 3.46 -4.321424031e+00 -5.756921302e+00 -6.465267436e+00 3.48 -4.232604706e+00 -5.619680063e+00 -6.392670913e+00 3.50 -4.130222627e+00 -5.485397826e+00 -6.311949008e+00 3.52 -4.022472623e+00 -5.362247326e+00 -6.225760012e+00 3.54 -3.875842571e+00 -5.256747826e+00 -6.139061567e+00 3.56 -3.703128441e+00 -5.172837842e+00 -6.054649549e+00 3.58 -3.557733186e+00 -5.108283304e+00 -5.974416207e+00 3.60 -3.415735759e+00 -5.055865886e+00 -5.896003920e+00 3.62 -3.295272041e+00 -5.008058954e+00 -5.820304700e+00 3.64 -3.202490609e+00 -4.957822213e+00 -5.749726977e+00 3.66 -3.127431253e+00 -4.903406341e+00 -5.685457298e+00 3.68 -3.066677925e+00 -4.847002243e+00 -5.626370046e+00 3.70 -3.018857028e+00 -4.789765167e+00 -5.569790200e+00 3.72 -2.981267929e+00 -4.732802711e+00 -5.512893317e+00 3.74 -2.950141034e+00 -4.677073105e+00 -5.453021597e+00 3.76 -2.921543602e+00 -4.622386337e+00 -5.388183720e+00 3.78 -2.893173796e+00 -4.568389771e+00 -5.316391995e+00 3.80 -2.863367993e+00 -4.514472094e+00 -5.235586553e+00 3.82 -2.830634157e+00 -4.454903398e+00 -5.144221513e+00 3.84 -2.793378875e+00 -4.386886161e+00 -5.040498493e+00 3.86 -2.749704739e+00 -4.308397520e+00 -4.922306070e+00 3.88 -2.698632005e+00 -4.215892024e+00 -4.788112292e+00 3.90 -2.641387701e+00 -4.103221395e+00 -4.637642210e+00 3.92 -2.579841999e+00 -3.966251811e+00 -4.474657003e+00 3.94 -2.516674416e+00 -3.810749535e+00 -4.296349472e+00 3.96 -2.455710667e+00 -3.651948466e+00 -4.071335872e+00 3.98 -2.398916995e+00 -3.493849717e+00 -3.816441310e+00 4.00 -2.345417648e+00 -3.331693022e+00 -3.580072564e+00 4.02 -2.294578642e+00 -3.169500250e+00 -3.349725692e+00 4.04 -2.246810053e+00 -3.020612479e+00 -3.134516046e+00 4.06 -2.203194660e+00 -2.894954309e+00 -2.958016943e+00 4.08 -2.163581337e+00 -2.790251148e+00 -2.816390888e+00 4.10 -2.127091709e+00 -2.700063592e+00 -2.702133075e+00 4.12 -2.094875531e+00 -2.620459915e+00 -2.615078806e+00 4.14 -2.067465969e+00 -2.550669223e+00 -2.552798246e+00 4.16 -2.044787248e+00 -2.490481325e+00 -2.509384501e+00 4.18 -2.026456042e+00 -2.439120648e+00 -2.477242744e+00 4.20 -2.011669551e+00 -2.395415689e+00 -2.448526089e+00 4.22 -1.998347221e+00 -2.359314103e+00 -2.419735967e+00 4.24 -1.984155793e+00 -2.329531432e+00 -2.391069964e+00 4.26 -1.968202092e+00 -2.304189756e+00 -2.363104848e+00 4.28 -1.950273074e+00 -2.281586145e+00 -2.336614609e+00 4.30 -1.930319692e+00 -2.260023922e+00 -2.312581566e+00 4.32 -1.909041026e+00 -2.237715590e+00 -2.292157144e+00 4.34 -1.888153752e+00 -2.213229557e+00 -2.276438082e+00 4.36 -1.869145269e+00 -2.187439355e+00 -2.266745800e+00 4.38 -1.851244055e+00 -2.162002980e+00 -2.264443018e+00 4.40 -1.832780561e+00 -2.138684778e+00 -2.267844164e+00 4.42 -1.812040519e+00 -2.119343422e+00 -2.273266094e+00 4.44 -1.787173175e+00 -2.105905854e+00 -2.280346350e+00 4.46 -1.756294736e+00 -2.099461105e+00 -2.288707099e+00 4.48 -1.717955741e+00 -2.098671324e+00 -2.297903327e+00 4.50 -1.673607775e+00 -2.101631090e+00 -2.307390043e+00 4.52 -1.625869870e+00 -2.106369713e+00 -2.316626083e+00 4.54 -1.577320377e+00 -2.110905880e+00 -2.325095424e+00 4.56 -1.530424488e+00 -2.113275475e+00 -2.332307969e+00 4.58 -1.487590894e+00 -2.112250287e+00 -2.337795170e+00 4.60 -1.450692737e+00 -2.107761365e+00 -2.341082308e+00 4.62 -1.418808257e+00 -2.099654024e+00 -2.341450623e+00 4.64 -1.390371207e+00 -2.087652431e+00 -2.338019961e+00 4.66 -1.365235503e+00 -2.071478954e+00 -2.329876611e+00 4.68 -1.343138649e+00 -2.050833107e+00 -2.316039804e+00 4.70 -1.322510480e+00 -2.025058764e+00 -2.295415690e+00 4.72 -1.302214163e+00 -1.993148403e+00 -2.266737231e+00 4.74 -1.283608807e+00 -1.954461606e+00 -2.228980337e+00 4.76 -1.268267861e+00 -1.910225021e+00 -2.183260851e+00 4.78 -1.255526270e+00 -1.862302321e+00 -2.131514960e+00 4.80 -1.244045592e+00 -1.812589446e+00 -2.075949219e+00 4.82 -1.231883459e+00 -1.763026506e+00 -2.019216697e+00 4.84 -1.216300204e+00 -1.715529412e+00 -1.964673133e+00 4.86 -1.193594972e+00 -1.671897608e+00 -1.915918115e+00 4.88 -1.162698162e+00 -1.632792818e+00 -1.874872298e+00 4.90 -1.123378011e+00 -1.596668714e+00 -1.839778148e+00 4.92 -1.075825024e+00 -1.562008132e+00 -1.808238311e+00 4.94 -1.021067114e+00 -1.528272239e+00 -1.777772032e+00 4.96 -9.611869646e-01 -1.495277801e+00 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