# 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 = Mo3W # 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 3.643828321e+02 nan nan 0.98 3.387037055e+02 nan nan 1.00 3.153984786e+02 nan nan 1.02 2.935948421e+02 nan nan 1.04 2.731278824e+02 nan nan 1.06 2.540092374e+02 3.444981392e+02 nan 1.08 2.361920110e+02 3.208327935e+02 3.651333746e+02 1.10 2.197420884e+02 2.998298497e+02 3.410232757e+02 1.12 2.043250743e+02 2.806749744e+02 3.184632365e+02 1.14 1.903009780e+02 2.634945308e+02 2.972018906e+02 1.16 1.780617246e+02 2.476539007e+02 2.770507135e+02 1.18 1.671605627e+02 2.325260237e+02 2.583584116e+02 1.20 1.570019413e+02 2.182041938e+02 2.416180617e+02 1.22 1.474861305e+02 2.051577521e+02 2.266232570e+02 1.24 1.386250319e+02 1.932381502e+02 2.136377605e+02 1.26 1.301249966e+02 1.820916770e+02 2.021940472e+02 1.28 1.222127418e+02 1.717408390e+02 1.918601306e+02 1.30 1.150891977e+02 1.622604852e+02 1.820991788e+02 1.32 1.084863246e+02 1.535878298e+02 1.733140720e+02 1.34 1.022178626e+02 1.454981400e+02 1.655539507e+02 1.36 9.616832554e+01 1.376821229e+02 1.580148324e+02 1.38 9.045586154e+01 1.303138088e+02 1.506719493e+02 1.40 8.519312155e+01 1.234393427e+02 1.436590386e+02 1.42 8.020832499e+01 1.167928651e+02 1.370880114e+02 1.44 7.540860605e+01 1.102959190e+02 1.305974388e+02 1.46 7.081354942e+01 1.039967081e+02 1.242269456e+02 1.48 6.631368556e+01 9.798314294e+01 1.181727957e+02 1.50 6.217720932e+01 9.230571266e+01 1.126458750e+02 1.52 5.822822844e+01 8.689777934e+01 1.075156365e+02 1.54 5.436641505e+01 8.173431660e+01 1.023026245e+02 1.56 5.065177452e+01 7.687895705e+01 9.707269169e+01 1.58 4.712745145e+01 7.224176267e+01 9.205551781e+01 1.60 4.370455480e+01 6.782908327e+01 8.736612112e+01 1.62 4.035187372e+01 6.354137507e+01 8.255503225e+01 1.64 3.708327690e+01 5.944153495e+01 7.781366599e+01 1.66 3.393550298e+01 5.561212278e+01 7.327156448e+01 1.68 3.099362968e+01 5.205875998e+01 6.886316535e+01 1.70 2.828063257e+01 4.869532040e+01 6.457317363e+01 1.72 2.575921080e+01 4.544457734e+01 6.044365826e+01 1.74 2.339459136e+01 4.224477850e+01 5.657169513e+01 1.76 2.116454291e+01 3.918368936e+01 5.299227182e+01 1.78 1.901261294e+01 3.632797825e+01 4.959194467e+01 1.80 1.674299459e+01 3.370612662e+01 4.637091617e+01 1.82 1.454095576e+01 3.123027800e+01 4.318822768e+01 1.84 1.265349850e+01 2.903064530e+01 4.021921278e+01 1.86 1.109568894e+01 2.695649697e+01 3.731149156e+01 1.88 9.822267550e+00 2.496227928e+01 3.454088459e+01 1.90 8.747446489e+00 2.303010683e+01 3.197323214e+01 1.92 7.794804177e+00 2.113492889e+01 2.953964641e+01 1.94 6.902475915e+00 1.925386428e+01 2.706327076e+01 1.96 6.012665838e+00 1.739170202e+01 2.461386504e+01 1.98 5.121199057e+00 1.557495354e+01 2.230396240e+01 2.00 4.276835367e+00 1.380395637e+01 2.006873635e+01 2.02 3.516570453e+00 1.210083590e+01 1.788721114e+01 2.04 2.782414938e+00 1.054321251e+01 1.589690323e+01 2.06 2.072612239e+00 9.145633062e+00 1.411681228e+01 2.08 1.421665544e+00 7.900831981e+00 1.252605707e+01 2.10 8.342061994e-01 6.807056835e+00 1.109428919e+01 2.12 -4.231448407e-01 5.851460217e+00 9.800074979e+00 2.14 -1.634289229e+00 4.991627544e+00 8.642248142e+00 2.16 -2.517828183e+00 4.193180719e+00 7.611579819e+00 2.18 -3.160589134e+00 3.451785019e+00 6.659485238e+00 2.20 -3.666877254e+00 2.559712264e+00 5.746433388e+00 2.22 -4.112120221e+00 1.808591274e+00 4.856515898e+00 2.24 -4.522140780e+00 1.183534711e+00 4.052264524e+00 2.26 -4.908711573e+00 6.603256596e-01 3.335003834e+00 2.28 -5.259271235e+00 2.021596977e-01 2.620473061e+00 2.30 -5.568855355e+00 -6.256682044e-01 1.809385257e+00 2.32 -5.847534714e+00 -1.379526869e+00 1.021448075e+00 2.34 -6.090806248e+00 -2.086582530e+00 -4.213198526e-01 2.36 -6.295028458e+00 -2.865535292e+00 -1.432018856e+00 2.38 -6.458025709e+00 -3.518001867e+00 -2.227689106e+00 2.40 -6.587675613e+00 -4.043471991e+00 -2.864766952e+00 2.42 -6.701277237e+00 -4.483652690e+00 -3.378870162e+00 2.44 -6.798578844e+00 -4.870448116e+00 -3.796828771e+00 2.46 -6.875926400e+00 -5.213173640e+00 -4.146430957e+00 2.48 -6.923996064e+00 -5.518730035e+00 -4.451586994e+00 2.50 -6.942122426e+00 -5.777213030e+00 -4.725456795e+00 2.52 -6.948672681e+00 -6.008056525e+00 -4.969828048e+00 2.54 -6.961171210e+00 -6.231367393e+00 -5.179932465e+00 2.56 -6.968027797e+00 -6.452203680e+00 -5.356087813e+00 2.58 -6.966785323e+00 -6.665329703e+00 -5.511733638e+00 2.60 -6.940145816e+00 -6.856761516e+00 -5.665470750e+00 2.62 -6.889073560e+00 -7.015443666e+00 -5.820277894e+00 2.64 -6.817729798e+00 -7.130590423e+00 -5.970019125e+00 2.66 -6.748909377e+00 -7.204109976e+00 -6.116322004e+00 2.68 -6.687860100e+00 -7.252437188e+00 -6.265985419e+00 2.70 -6.624772119e+00 -7.289164367e+00 -6.425159355e+00 2.72 -6.553081724e+00 -7.313073809e+00 -6.557134974e+00 2.74 -6.462864557e+00 -7.322980488e+00 -6.626651919e+00 2.76 -6.363659723e+00 -7.313263637e+00 -6.684566598e+00 2.78 -6.268800118e+00 -7.290690248e+00 -6.742552202e+00 2.80 -6.165996007e+00 -7.257747089e+00 -6.790125959e+00 2.82 -6.058405878e+00 -7.209689985e+00 -6.820548265e+00 2.84 -5.951484435e+00 -7.146074141e+00 -6.866252210e+00 2.86 -5.845092013e+00 -7.065389306e+00 -6.911002453e+00 2.88 -5.736772597e+00 -6.968057890e+00 -6.940596570e+00 2.90 -5.626948315e+00 -6.865333348e+00 -6.954073156e+00 2.92 -5.517887566e+00 -6.767589122e+00 -6.951172766e+00 2.94 -5.412163818e+00 -6.666756196e+00 -6.922764238e+00 2.96 -5.311021652e+00 -6.556768254e+00 -6.872093516e+00 2.98 -5.216103874e+00 -6.439183939e+00 -6.810132137e+00 3.00 -5.129909273e+00 -6.319913952e+00 -6.742884226e+00 3.02 -5.040207465e+00 -6.204886183e+00 -6.662650189e+00 3.04 -4.958328995e+00 -6.100339102e+00 -6.564934243e+00 3.06 -4.882714746e+00 -6.002460265e+00 -6.461950953e+00 3.08 -4.811928154e+00 -5.906483615e+00 -6.363874501e+00 3.10 -4.741462964e+00 -5.815038196e+00 -6.286210966e+00 3.12 -4.655380100e+00 -5.710401273e+00 -6.211815580e+00 3.14 -4.549558087e+00 -5.586105748e+00 -6.118095953e+00 3.16 -4.435331275e+00 -5.446165481e+00 -6.011737273e+00 3.18 -4.328349428e+00 -5.303933293e+00 -5.900696047e+00 3.20 -4.236827356e+00 -5.166017820e+00 -5.792263233e+00 3.22 -4.156371386e+00 -5.047221877e+00 -5.693617334e+00 3.24 -4.075081248e+00 -4.984996559e+00 -5.608110910e+00 3.26 -3.976353429e+00 -4.941689022e+00 -5.536480662e+00 3.28 -3.867683919e+00 -4.877583529e+00 -5.477604304e+00 3.30 -3.765147887e+00 -4.782827930e+00 -5.422957715e+00 3.32 -3.690336917e+00 -4.659729187e+00 -5.372574290e+00 3.34 -3.598409178e+00 -4.510615371e+00 -5.328328770e+00 3.36 -3.474948877e+00 -4.341757401e+00 -5.288235680e+00 3.38 -3.319908800e+00 -4.166715144e+00 -5.248058506e+00 3.40 -3.123499211e+00 -3.990708018e+00 -5.202240425e+00 3.42 -2.883645639e+00 -3.832192440e+00 -5.139054124e+00 3.44 -2.610535242e+00 -3.704676076e+00 -5.054111113e+00 3.46 -2.317715103e+00 -3.600418015e+00 -4.949380654e+00 3.48 -2.020206903e+00 -3.516043360e+00 -4.823449590e+00 3.50 -1.744544935e+00 -3.447190882e+00 -4.675534351e+00 3.52 -1.522569961e+00 -3.387897727e+00 -4.509000075e+00 3.54 -1.356524574e+00 -3.334836135e+00 -4.344206389e+00 3.56 -1.232585583e+00 -3.287317424e+00 -4.209966882e+00 3.58 -1.139082463e+00 -3.245014626e+00 -4.139865362e+00 3.60 -1.067268094e+00 -3.206327444e+00 -4.107058366e+00 3.62 -1.010934422e+00 -3.169388643e+00 -4.078097638e+00 3.64 -9.640794274e-01 -3.132032513e+00 -4.054285901e+00 3.66 -9.241886021e-01 -3.091756428e+00 -4.036804681e+00 3.68 -8.901048212e-01 -3.044059599e+00 -4.022271456e+00 3.70 -8.604791293e-01 -2.981541550e+00 -4.003030818e+00 3.72 -8.342029807e-01 -2.896778918e+00 -3.970861533e+00 3.74 -8.100695443e-01 -2.789851671e+00 -3.916023652e+00 3.76 -7.868342394e-01 -2.672690034e+00 -3.824988549e+00 3.78 -7.644275286e-01 -2.554926188e+00 -3.682364872e+00 3.80 -7.437806695e-01 -2.440486924e+00 -3.479846158e+00 3.82 -7.270935040e-01 -2.306021444e+00 -3.236104498e+00 3.84 -7.169568032e-01 -2.146526099e+00 -2.962956328e+00 3.86 -7.159163934e-01 -1.971619740e+00 -2.662934728e+00 3.88 -7.258467285e-01 -1.789532209e+00 -2.354785881e+00 3.90 -7.464631194e-01 -1.613897700e+00 -2.056946478e+00 3.92 -7.767436715e-01 -1.463093821e+00 -1.788315186e+00 3.94 -8.152096245e-01 -1.344350614e+00 -1.571257472e+00 3.96 -8.593495614e-01 -1.251654389e+00 -1.404963973e+00 3.98 -9.063624213e-01 -1.179521406e+00 -1.277675756e+00 4.00 -9.525209274e-01 -1.123308771e+00 -1.180264763e+00 4.02 -9.960213172e-01 -1.078506959e+00 -1.105658493e+00 4.04 -1.036305055e+00 -1.040875180e+00 -1.047417104e+00 4.06 -1.072823944e+00 -1.006727190e+00 -9.995786225e-01 4.08 -1.105336260e+00 -9.745571227e-01 -9.588165557e-01 4.10 -1.134817634e+00 -9.449013893e-01 -9.248140819e-01 4.12 -1.163539857e+00 -9.187754448e-01 -8.971744371e-01 4.14 -1.191796052e+00 -8.977349761e-01 -8.743927687e-01 4.16 -1.218595606e+00 -8.832068376e-01 -8.550071396e-01 4.18 -1.242516847e+00 -8.764925620e-01 -8.378307466e-01 4.20 -1.262196835e+00 -8.788207474e-01 -8.216412736e-01 4.22 -1.276469866e+00 -8.912371447e-01 -8.052729143e-01 4.24 -1.285530981e+00 -9.129905352e-01 -7.886641303e-01 4.26 -1.291540431e+00 -9.420722671e-01 -7.719928844e-01 4.28 -1.297248984e+00 -9.764277686e-01 -7.557203057e-01 4.30 -1.304982719e+00 -1.013990712e+00 -7.409347871e-01 4.32 -1.316524145e+00 -1.052691461e+00 -7.320065614e-01 4.34 -1.333109255e+00 -1.090549530e+00 -7.345864704e-01 4.36 -1.355712546e+00 -1.126626303e+00 -7.527214131e-01 4.38 -1.382472263e+00 -1.160510959e+00 -7.900004471e-01 4.40 -1.409805773e+00 -1.191793172e+00 -8.402667779e-01 4.42 -1.434034473e+00 -1.220048953e+00 -8.888965185e-01 4.44 -1.452346471e+00 -1.244838901e+00 -9.334914921e-01 4.46 -1.462303828e+00 -1.265577425e+00 -9.718292329e-01 4.48 -1.461927795e+00 -1.281821295e+00 -1.002770450e+00 4.50 -1.451958381e+00 -1.294303579e+00 -1.027164877e+00 4.52 -1.434531575e+00 -1.303923947e+00 -1.046085402e+00 4.54 -1.411992780e+00 -1.311601172e+00 -1.060590533e+00 4.56 -1.386989731e+00 -1.318278387e+00 -1.071727666e+00 4.58 -1.362218845e+00 -1.324471896e+00 -1.080546388e+00 4.60 -1.340350963e+00 -1.329930626e+00 -1.088083928e+00 4.62 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