# 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 = Ta3W # 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 6.290822165e+02 nan nan 0.98 5.732127772e+02 nan nan 1.00 5.243083089e+02 nan nan 1.02 4.785126076e+02 nan nan 1.04 4.352551813e+02 nan nan 1.06 3.944734878e+02 5.894183588e+02 nan 1.08 3.564008086e+02 5.289727237e+02 6.172455728e+02 1.10 3.216536863e+02 4.752582139e+02 5.473127705e+02 1.12 2.901926388e+02 4.278725018e+02 4.873003760e+02 1.14 2.619470976e+02 3.872445526e+02 4.366253414e+02 1.16 2.368900067e+02 3.527470367e+02 3.946820230e+02 1.18 2.148762689e+02 3.241690192e+02 3.612190839e+02 1.20 1.957871580e+02 3.008528918e+02 3.354921319e+02 1.22 1.789085881e+02 2.801941227e+02 3.141282967e+02 1.24 1.632341827e+02 2.603966366e+02 2.939260261e+02 1.26 1.488356742e+02 2.414010337e+02 2.747448171e+02 1.28 1.355943863e+02 2.233465114e+02 2.563470785e+02 1.30 1.235805965e+02 2.064748076e+02 2.391151823e+02 1.32 1.126486595e+02 1.907540198e+02 2.229788681e+02 1.34 1.027329047e+02 1.760782743e+02 2.078872380e+02 1.36 9.375726598e+01 1.622416855e+02 1.938852988e+02 1.38 8.577014759e+01 1.492894271e+02 1.800724100e+02 1.40 7.855665577e+01 1.372531038e+02 1.669077713e+02 1.42 7.199525046e+01 1.259556242e+02 1.546836432e+02 1.44 6.593506485e+01 1.154533565e+02 1.429814187e+02 1.46 6.039194724e+01 1.057625143e+02 1.318250284e+02 1.48 5.545263882e+01 9.692415198e+01 1.212222543e+02 1.50 5.104384032e+01 8.873114033e+01 1.112363170e+02 1.52 4.703774655e+01 8.114522656e+01 1.021424789e+02 1.54 4.321838641e+01 7.414824947e+01 9.377443816e+01 1.56 3.936496345e+01 6.770083606e+01 8.602706062e+01 1.58 3.575598070e+01 6.174415115e+01 7.856972235e+01 1.60 3.251633131e+01 5.625445144e+01 7.176867305e+01 1.62 2.953769894e+01 5.123517970e+01 6.573079652e+01 1.64 2.676634559e+01 4.667901367e+01 6.014928385e+01 1.66 2.417178038e+01 4.257400818e+01 5.507419481e+01 1.68 2.174898898e+01 3.890008676e+01 5.048508541e+01 1.70 1.955000568e+01 3.559438363e+01 4.654144668e+01 1.72 1.757740825e+01 3.251999220e+01 4.289423496e+01 1.74 1.577645919e+01 2.950503835e+01 3.926910667e+01 1.76 1.406930451e+01 2.672407843e+01 3.594712063e+01 1.78 1.246866259e+01 2.419866158e+01 3.293559231e+01 1.80 1.092120102e+01 2.193221339e+01 3.020206899e+01 1.82 9.446957718e+00 1.990230816e+01 2.770171323e+01 1.84 8.073201734e+00 1.807398388e+01 2.535623256e+01 1.86 6.794301243e+00 1.641708204e+01 2.316822204e+01 1.88 5.629315204e+00 1.495438187e+01 2.122458417e+01 1.90 4.555092747e+00 1.369016410e+01 1.946366931e+01 1.92 3.622339433e+00 1.253959715e+01 1.784810694e+01 1.94 2.775586888e+00 1.151058504e+01 1.632662539e+01 1.96 2.068984041e+00 1.056743959e+01 1.485532325e+01 1.98 1.380417732e+00 9.666936625e+00 1.342884637e+01 2.00 7.791031390e-01 8.750263651e+00 1.207180174e+01 2.02 2.684818054e-01 7.860916716e+00 1.080417548e+01 2.04 -1.468512653e-01 6.984882848e+00 9.762616826e+00 2.06 -4.953134993e-01 6.137665859e+00 8.771040175e+00 2.08 -8.100947471e-01 5.328945846e+00 7.778103613e+00 2.10 -1.117668594e+00 4.541038940e+00 6.849830602e+00 2.12 -1.431505433e+00 3.769553437e+00 6.003058146e+00 2.14 -1.758347604e+00 3.006856702e+00 5.228689140e+00 2.16 -2.094002180e+00 2.267276489e+00 4.532140628e+00 2.18 -2.501389191e+00 1.612390953e+00 3.969339790e+00 2.20 -3.115895183e+00 9.475469033e-01 3.359722936e+00 2.22 -3.660601265e+00 3.353537621e-01 2.773644778e+00 2.24 -4.325297957e+00 -2.208356463e-01 2.206488644e+00 2.26 -4.900268454e+00 -7.194475295e-01 1.647800074e+00 2.28 -5.387957929e+00 -1.167805095e+00 1.087334030e+00 2.30 -5.800237211e+00 -1.581956068e+00 5.192753158e-01 2.32 -6.165999240e+00 -2.018756746e+00 -9.586726028e-02 2.34 -6.489814065e+00 -2.431787671e+00 -6.342421008e-01 2.36 -6.787483898e+00 -2.821742802e+00 -1.129471375e+00 2.38 -7.059457005e+00 -3.394246657e+00 -1.602568706e+00 2.40 -7.303111624e+00 -4.038095172e+00 -2.241712834e+00 2.42 -7.526762319e+00 -4.591816649e+00 -2.908292438e+00 2.44 -7.707250142e+00 -5.082156214e+00 -3.573077131e+00 2.46 -7.854064971e+00 -5.511019082e+00 -4.163240219e+00 2.48 -7.971286493e+00 -5.885633467e+00 -4.670189970e+00 2.50 -8.058734800e+00 -6.223738436e+00 -5.100578574e+00 2.52 -8.122451326e+00 -6.525214567e+00 -5.465665474e+00 2.54 -8.173419759e+00 -6.794052789e+00 -5.777623541e+00 2.56 -8.216549141e+00 -7.037056186e+00 -6.045351715e+00 2.58 -8.257335672e+00 -7.257541278e+00 -6.275846492e+00 2.60 -8.292208745e+00 -7.454892172e+00 -6.474886393e+00 2.62 -8.314323576e+00 -7.625539450e+00 -6.650705732e+00 2.64 -8.319154207e+00 -7.768486307e+00 -6.812963648e+00 2.66 -8.307672112e+00 -7.872758179e+00 -6.971027944e+00 2.68 -8.274467721e+00 -7.967396220e+00 -7.128777060e+00 2.70 -8.217492218e+00 -8.066758948e+00 -7.281723387e+00 2.72 -8.145305590e+00 -8.153771165e+00 -7.426989364e+00 2.74 -8.065711288e+00 -8.224079728e+00 -7.565097773e+00 2.76 -7.983644948e+00 -8.274779087e+00 -7.676225036e+00 2.78 -7.906302803e+00 -8.310909087e+00 -7.757415195e+00 2.80 -7.828987827e+00 -8.331766142e+00 -7.825071742e+00 2.82 -7.741786347e+00 -8.341689793e+00 -7.875397421e+00 2.84 -7.652577310e+00 -8.342303096e+00 -7.922591076e+00 2.86 -7.565539805e+00 -8.332183418e+00 -7.978405564e+00 2.88 -7.481566493e+00 -8.311680118e+00 -8.016627477e+00 2.90 -7.405803558e+00 -8.283272853e+00 -8.048037551e+00 2.92 -7.338929518e+00 -8.248625048e+00 -8.065131649e+00 2.94 -7.276810740e+00 -8.205146202e+00 -8.076061194e+00 2.96 -7.216053223e+00 -8.148724601e+00 -8.074268555e+00 2.98 -7.153639320e+00 -8.077486146e+00 -8.052788058e+00 3.00 -7.090761981e+00 -7.996937008e+00 -8.014265470e+00 3.02 -7.027009808e+00 -7.915039605e+00 -7.965025687e+00 3.04 -6.959592022e+00 -7.839639203e+00 -7.904077233e+00 3.06 -6.890379247e+00 -7.771147418e+00 -7.834696367e+00 3.08 -6.821007074e+00 -7.704148815e+00 -7.760157538e+00 3.10 -6.751426725e+00 -7.632985018e+00 -7.691996963e+00 3.12 -6.678614392e+00 -7.551304006e+00 -7.628648388e+00 3.14 -6.599574738e+00 -7.464566223e+00 -7.563612204e+00 3.16 -6.514297994e+00 -7.378653378e+00 -7.496235875e+00 3.18 -6.425469849e+00 -7.295376019e+00 -7.430120910e+00 3.20 -6.336395628e+00 -7.212553444e+00 -7.369343618e+00 3.22 -6.249635514e+00 -7.129441813e+00 -7.315608891e+00 3.24 -6.164851336e+00 -7.048759253e+00 -7.266210904e+00 3.26 -6.078278342e+00 -6.966609614e+00 -7.217971218e+00 3.28 -5.988046148e+00 -6.882293466e+00 -7.166545556e+00 3.30 -5.894177132e+00 -6.796417863e+00 -7.111842096e+00 3.32 -5.798294153e+00 -6.710345679e+00 -7.059308201e+00 3.34 -5.696421316e+00 -6.622498014e+00 -7.014586357e+00 3.36 -5.586128046e+00 -6.530214541e+00 -6.981629110e+00 3.38 -5.468098887e+00 -6.433623237e+00 -6.956524317e+00 3.40 -5.335666316e+00 -6.336186454e+00 -6.931943839e+00 3.42 -5.176279163e+00 -6.241561342e+00 -6.902981908e+00 3.44 -4.982537703e+00 -6.151450533e+00 -6.865695083e+00 3.46 -4.755863508e+00 -6.065287257e+00 -6.820383664e+00 3.48 -4.521012511e+00 -5.985264331e+00 -6.769411355e+00 3.50 -4.320498957e+00 -5.909360711e+00 -6.715423492e+00 3.52 -4.145999402e+00 -5.836952153e+00 -6.663188185e+00 3.54 -3.950091621e+00 -5.771055932e+00 -6.611488131e+00 3.56 -3.745622011e+00 -5.715272507e+00 -6.559606148e+00 3.58 -3.559978924e+00 -5.668121476e+00 -6.508910370e+00 3.60 -3.402715631e+00 -5.626505711e+00 -6.456942529e+00 3.62 -3.269488249e+00 -5.587603643e+00 -6.403236794e+00 3.64 -3.150553409e+00 -5.547600427e+00 -6.347748416e+00 3.66 -3.041705046e+00 -5.498525202e+00 -6.289472294e+00 3.68 -2.942720859e+00 -5.444212809e+00 -6.227363796e+00 3.70 -2.854516562e+00 -5.378718996e+00 -6.160983210e+00 3.72 -2.778739802e+00 -5.312398766e+00 -6.089952768e+00 3.74 -2.717623538e+00 -5.248429722e+00 -6.014024222e+00 3.76 -2.673455191e+00 -5.186818962e+00 -5.933344278e+00 3.78 -2.645774338e+00 -5.127483774e+00 -5.847864935e+00 3.80 -2.632384596e+00 -5.070056502e+00 -5.757170421e+00 3.82 -2.630519326e+00 -5.005474035e+00 -5.660778123e+00 3.84 -2.637150185e+00 -4.927442004e+00 -5.557458114e+00 3.86 -2.649135709e+00 -4.832857355e+00 -5.445605699e+00 3.88 -2.663520945e+00 -4.720597658e+00 -5.324033206e+00 3.90 -2.677784137e+00 -4.594984207e+00 -5.192422392e+00 3.92 -2.689528350e+00 -4.464440883e+00 -5.051946958e+00 3.94 -2.696562009e+00 -4.340950246e+00 -4.903779477e+00 3.96 -2.697152593e+00 -4.226723449e+00 -4.748110775e+00 3.98 -2.689477488e+00 -4.107980583e+00 -4.584847797e+00 4.00 -2.671126446e+00 -3.974018752e+00 -4.405594515e+00 4.02 -2.641763543e+00 -3.826860416e+00 -4.215019298e+00 4.04 -2.602371413e+00 -3.678341480e+00 -4.034027324e+00 4.06 -2.554123602e+00 -3.537124322e+00 -3.860454169e+00 4.08 -2.498602965e+00 -3.405898582e+00 -3.662944490e+00 4.10 -2.439357276e+00 -3.278202223e+00 -3.426219208e+00 4.12 -2.382296000e+00 -3.146910020e+00 -3.188293366e+00 4.14 -2.330473131e+00 -3.008436257e+00 -2.985680144e+00 4.16 -2.285106290e+00 -2.870118163e+00 -2.818879233e+00 4.18 -2.246784953e+00 -2.743235394e+00 -2.671024142e+00 4.20 -2.215238026e+00 -2.636484686e+00 -2.532295891e+00 4.22 -2.187007198e+00 -2.551122314e+00 -2.404278416e+00 4.24 -2.157785565e+00 -2.483391023e+00 -2.292255694e+00 4.26 -2.125866346e+00 -2.428995838e+00 -2.198915468e+00 4.28 -2.090872982e+00 -2.384229651e+00 -2.125166425e+00 4.30 -2.052420037e+00 -2.346092600e+00 -2.070078944e+00 4.32 -2.011118084e+00 -2.311987174e+00 -2.031944141e+00 4.34 -1.969149345e+00 -2.279824884e+00 -2.009280867e+00 4.36 -1.928604496e+00 -2.249208878e+00 -2.000855870e+00 4.38 -1.889824416e+00 -2.220373904e+00 -2.005766733e+00 4.40 -1.852227046e+00 -2.193549001e+00 -2.019800177e+00 4.42 -1.815235664e+00 -2.168969877e+00 -2.036080671e+00 4.44 -1.777886359e+00 -2.146887932e+00 -2.052230454e+00 4.46 -1.738950534e+00 -2.126932203e+00 -2.065926959e+00 4.48 -1.697438623e+00 -2.107758528e+00 -2.076143274e+00 4.50 -1.654181247e+00 -2.089229639e+00 -2.084097413e+00 4.52 -1.610872232e+00 -2.071351749e+00 -2.091251296e+00 4.54 -1.568790590e+00 -2.054092096e+00 -2.099066470e+00 4.56 -1.528640604e+00 -2.037385328e+00 -2.109008610e+00 4.58 -1.491180257e+00 -2.021673505e+00 -2.122541200e+00 4.60 -1.457102558e+00 -2.008222920e+00 -2.141026583e+00 4.62 -1.425698268e+00 -1.997160129e+00 -2.164090586e+00 4.64 -1.395664646e+00 -1.987514984e+00 -2.189819590e+00 4.66 -1.366484724e+00 -1.978290455e+00 -2.216236464e+00 4.68 -1.337849702e+00 -1.968513003e+00 -2.241333730e+00 4.70 -1.309371412e+00 -1.957245880e+00 -2.263043823e+00 4.72 -1.280633895e+00 -1.943605376e+00 -2.279211447e+00 4.74 -1.251694637e+00 -1.926924989e+00 -2.287959765e+00 4.76 -1.222418533e+00 -1.907973193e+00 -2.289578410e+00 4.78 -1.192018621e+00 -1.888140956e+00 -2.285355101e+00 4.80 -1.159199016e+00 -1.868768345e+00 -2.276631571e+00 4.82 -1.122111410e+00 -1.850339466e+00 -2.264764548e+00 4.84 -1.079485458e+00 -1.832732156e+00 -2.251110093e+00 4.86 -1.032645122e+00 -1.815800327e+00 -2.236999386e+00 4.88 -9.841368089e-01 -1.798910112e+00 -2.223073145e+00 4.90 -9.356133023e-01 -1.780104453e+00 -2.208133930e+00 4.92 -8.869304138e-01 -1.757335408e+00 -2.190642243e+00 4.94 -8.373461915e-01 -1.730056653e+00 -2.169063910e+00 4.96 -7.878094324e-01 -1.698443062e+00 -2.141868198e+00 4.98 -7.393579239e-01 -1.662806923e+00 -2.107511069e+00 5.00 -6.932482430e-01 -1.623633001e+00 -2.064488203e+00 5.02 -6.506277140e-01 -1.582841152e+00 -2.013041881e+00 5.04 -6.125831775e-01 -1.543226269e+00 -1.955288816e+00 5.06 -5.800949934e-01 -1.504977502e+00 -1.893398897e+00 5.08 -5.487199896e-01 -1.467500976e+00 -1.829545437e+00 5.10 -5.150468305e-01 -1.430186651e+00 -1.766002562e+00 5.12 -4.824375166e-01 -1.392425736e+00 -1.705226271e+00 5.14 -4.541868508e-01 -1.353337972e+00 -1.649591403e+00 5.16 -4.330478094e-01 -1.311151834e+00 -1.599042860e+00 5.18 -4.214702665e-01 -1.265708464e+00 -1.552313349e+00 5.20 -4.212642208e-01 -1.217268178e+00 -1.507987406e+00 5.22 -4.300103037e-01 -1.166147013e+00 -1.464512212e+00 5.24 -4.433226896e-01 -1.112672793e+00 -1.420212966e+00 5.26 -4.569781065e-01 -1.057136348e+00 -1.373312540e+00 5.28 -4.668495710e-01 -1.000032044e+00 -1.322471987e+00 5.30 -4.689891720e-01 -9.421243978e-01 -1.268003766e+00 5.32 -4.599412869e-01 -8.842530308e-01 -1.210665229e+00 5.34 -4.404012936e-01 -8.282452777e-01 -1.151304944e+00 5.36 -4.132018485e-01 -7.778046309e-01 -1.090556631e+00 5.38 -3.807788974e-01 -7.341301166e-01 -1.028570419e+00 5.40 -3.444821949e-01 -6.927429209e-01 -9.656637658e-01 5.42 -3.035738243e-01 -6.533070562e-01 -9.030737602e-01 5.44 -2.542054445e-01 -6.146723639e-01 -8.432519354e-01 5.46 -1.932887000e-01 -5.763993656e-01 -7.881686338e-01 5.48 -1.353212288e-01 -5.389477099e-01 -7.391280011e-01 5.50 -8.739707059e-02 -5.035334446e-01 -6.960725215e-01 5.52 -5.353741035e-02 -4.719087291e-01 -6.586895207e-01 5.54 -3.776157611e-02 -4.459631786e-01 -6.278677901e-01 5.56 -3.590113625e-02 -4.261785306e-01 -6.035913009e-01 5.58 -3.480716517e-02 -4.115598387e-01 -5.845872923e-01 5.60 -3.413582989e-02 -4.006730372e-01 -5.692277998e-01 5.62 -3.376297417e-02 -3.918660815e-01 -5.556366005e-01 5.64 -3.356462513e-02 -3.834080835e-01 -5.418301072e-01 5.66 -3.341705210e-02 -3.735655756e-01 -5.258222201e-01 5.68 -3.322402871e-02 -3.610712175e-01 -5.061847125e-01 5.70 -3.301106985e-02 -3.469216154e-01 -4.842630693e-01 5.72 -3.283806889e-02 -3.328949607e-01 -4.624030208e-01 5.74 -3.276522687e-02 -3.207589803e-01 -4.429376081e-01 5.76 -3.285291627e-02 -3.122510581e-01 -4.281645541e-01 5.78 -3.316177637e-02 -3.090567196e-01 -4.203328702e-01 5.80 -3.375194220e-02 -3.127619605e-01 -4.216078794e-01 5.82 -3.462097994e-02 -3.236081604e-01 -4.325635724e-01 5.84 -3.564514651e-02 -3.390538971e-01 -4.501829110e-01 5.86 -3.668704002e-02 -3.563273043e-01 -4.710263629e-01 5.88 -3.760918350e-02 -3.728559041e-01 -4.917507967e-01 5.90 -3.827338806e-02 -3.862277707e-01 -5.089934101e-01 5.92 -3.854109130e-02 -3.941001212e-01 -5.192918339e-01 5.94 -3.827722397e-02 -3.941630556e-01 -5.192156485e-01 5.96 -3.741723683e-02 -3.856724441e-01 -5.077854195e-01 5.98 -3.595997866e-02 -3.695639500e-01 -4.868074278e-01 6.00 -3.390652861e-02 -3.465996549e-01 -4.581528639e-01