# 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 = Nb3W # 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 1.434723682e+03 nan nan 0.98 1.262712936e+03 nan nan 1.00 1.113116896e+03 nan nan 1.02 9.825604510e+02 nan nan 1.04 8.681017004e+02 nan nan 1.06 7.679547952e+02 1.305494227e+03 nan 1.08 6.804756267e+02 1.160959273e+03 1.392709900e+03 1.10 6.037660459e+02 1.032529111e+03 1.242297134e+03 1.12 5.357404870e+02 9.191414857e+02 1.108274902e+03 1.14 4.761158221e+02 8.189738256e+02 9.884598513e+02 1.16 4.235655154e+02 7.310917643e+02 8.821496317e+02 1.18 3.771212261e+02 6.526016115e+02 7.882559590e+02 1.20 3.355130089e+02 5.822232866e+02 7.049151616e+02 1.22 2.991274798e+02 5.205742199e+02 6.316852963e+02 1.24 2.668789112e+02 4.662515716e+02 5.661483071e+02 1.26 2.381571009e+02 4.179999809e+02 5.070212780e+02 1.28 2.128423268e+02 3.757817773e+02 4.545777086e+02 1.30 1.904443921e+02 3.384205019e+02 4.079304168e+02 1.32 1.707510717e+02 3.044902982e+02 3.665060104e+02 1.34 1.532387411e+02 2.741095502e+02 3.298490498e+02 1.36 1.374855441e+02 2.471738776e+02 2.967587271e+02 1.38 1.235614096e+02 2.236074809e+02 2.670879646e+02 1.40 1.119647840e+02 2.024236718e+02 2.411777931e+02 1.42 1.010895148e+02 1.828131345e+02 2.184718301e+02 1.44 9.137322370e+01 1.650018867e+02 1.979200335e+02 1.46 8.272470850e+01 1.492038125e+02 1.796378883e+02 1.48 7.497620728e+01 1.356654703e+02 1.633093488e+02 1.50 6.773159129e+01 1.234086015e+02 1.484531085e+02 1.52 6.120870596e+01 1.120179245e+02 1.346757633e+02 1.54 5.549376491e+01 1.016193877e+02 1.222427914e+02 1.56 5.052235171e+01 9.215842813e+01 1.111497615e+02 1.58 4.608902027e+01 8.364987588e+01 1.013412945e+02 1.60 4.174800492e+01 7.609390266e+01 9.239597112e+01 1.62 3.767146645e+01 6.924752625e+01 8.392455368e+01 1.64 3.399266728e+01 6.282815249e+01 7.611613388e+01 1.66 3.079152263e+01 5.689019152e+01 6.910003992e+01 1.68 2.811875163e+01 5.148725703e+01 6.300110186e+01 1.70 2.572459594e+01 4.656041534e+01 5.780619387e+01 1.72 2.339786086e+01 4.236269193e+01 5.345237006e+01 1.74 2.105249330e+01 3.835320714e+01 4.881550001e+01 1.76 1.881688013e+01 3.491093418e+01 4.454920267e+01 1.78 1.673843841e+01 3.197402485e+01 4.061392924e+01 1.80 1.483773494e+01 2.929850517e+01 3.706469696e+01 1.82 1.316047733e+01 2.670454014e+01 3.390011109e+01 1.84 1.165441577e+01 2.428849559e+01 3.105045508e+01 1.86 1.011155896e+01 2.212584400e+01 2.838391413e+01 1.88 8.692650097e+00 2.014089696e+01 2.581553186e+01 1.90 7.403266037e+00 1.827617575e+01 2.349815533e+01 1.92 6.209587417e+00 1.649463846e+01 2.141114798e+01 1.94 5.124374202e+00 1.478118837e+01 1.947288548e+01 1.96 4.125178971e+00 1.316961227e+01 1.762518422e+01 1.98 3.207177382e+00 1.172488915e+01 1.590560951e+01 2.00 2.403882895e+00 1.050878832e+01 1.435089989e+01 2.02 1.728858789e+00 9.514808825e+00 1.299071562e+01 2.04 1.078695539e+00 8.685596354e+00 1.183833110e+01 2.06 4.429346243e-01 7.840402878e+00 1.077094133e+01 2.08 -1.278667991e-01 6.863368713e+00 9.648986968e+00 2.10 -6.394525814e-01 5.904816268e+00 8.579648232e+00 2.12 -1.187395454e+00 5.007373273e+00 7.560618391e+00 2.14 -2.127093044e+00 4.157069787e+00 6.569997159e+00 2.16 -2.901001382e+00 3.333635050e+00 5.596352309e+00 2.18 -3.606167930e+00 2.543537505e+00 4.628982862e+00 2.20 -4.202939731e+00 1.770178089e+00 3.675517598e+00 2.22 -4.739835076e+00 9.921872938e-01 2.770218447e+00 2.24 -5.181963276e+00 2.780728662e-01 1.955969426e+00 2.26 -5.471046013e+00 -3.798687256e-01 1.263506428e+00 2.28 -5.625180470e+00 -9.863191895e-01 6.969648213e-01 2.30 -5.809554959e+00 -1.546154078e+00 2.744534450e-01 2.32 -6.106961528e+00 -2.098401271e+00 -1.946207526e-01 2.34 -6.366672879e+00 -2.734227845e+00 -8.465287868e-01 2.36 -6.586494353e+00 -3.377403288e+00 -1.718670359e+00 2.38 -6.775819346e+00 -3.907019306e+00 -2.434875939e+00 2.40 -6.933863229e+00 -4.356445003e+00 -3.034660856e+00 2.42 -7.069649151e+00 -4.722656186e+00 -3.543384965e+00 2.44 -7.194536803e+00 -4.983918022e+00 -3.972302705e+00 2.46 -7.317167419e+00 -5.230807726e+00 -4.332610715e+00 2.48 -7.440453051e+00 -5.522703199e+00 -4.657706849e+00 2.50 -7.563347745e+00 -5.802373721e+00 -4.952693829e+00 2.52 -7.669710938e+00 -6.071772527e+00 -5.219888805e+00 2.54 -7.758287805e+00 -6.338029384e+00 -5.462273673e+00 2.56 -7.840866351e+00 -6.603339237e+00 -5.683187367e+00 2.58 -7.908772137e+00 -6.861401591e+00 -5.883011062e+00 2.60 -7.945485876e+00 -7.090659070e+00 -6.057899030e+00 2.62 -7.936618346e+00 -7.281025398e+00 -6.224571180e+00 2.64 -7.881479397e+00 -7.425915404e+00 -6.390689658e+00 2.66 -7.774652789e+00 -7.533423210e+00 -6.542508655e+00 2.68 -7.643783048e+00 -7.618659709e+00 -6.672438833e+00 2.70 -7.560004129e+00 -7.690606469e+00 -6.771642168e+00 2.72 -7.558390057e+00 -7.751000715e+00 -6.841947944e+00 2.74 -7.566008033e+00 -7.801555578e+00 -6.898104930e+00 2.76 -7.569719079e+00 -7.841183735e+00 -6.927851592e+00 2.78 -7.556501785e+00 -7.871592772e+00 -6.981453354e+00 2.80 -7.521812354e+00 -7.892377185e+00 -7.053390109e+00 2.82 -7.467830617e+00 -7.905541005e+00 -7.166829373e+00 2.84 -7.399851329e+00 -7.911922167e+00 -7.273520952e+00 2.86 -7.320459378e+00 -7.910641767e+00 -7.359677896e+00 2.88 -7.235380346e+00 -7.900943132e+00 -7.411449181e+00 2.90 -7.152538784e+00 -7.885215731e+00 -7.441164030e+00 2.92 -7.077806251e+00 -7.867803550e+00 -7.472650007e+00 2.94 -7.010330044e+00 -7.847707257e+00 -7.495777418e+00 2.96 -6.948483375e+00 -7.821484041e+00 -7.505300232e+00 2.98 -6.883496326e+00 -7.782420338e+00 -7.499157030e+00 3.00 -6.814426672e+00 -7.723809242e+00 -7.479879926e+00 3.02 -6.741486731e+00 -7.670447046e+00 -7.456755178e+00 3.04 -6.667311804e+00 -7.632577951e+00 -7.431816588e+00 3.06 -6.596128417e+00 -7.607577684e+00 -7.410049372e+00 3.08 -6.530368363e+00 -7.582151679e+00 -7.388200312e+00 3.10 -6.470765046e+00 -7.546137953e+00 -7.361431860e+00 3.12 -6.413555996e+00 -7.478344774e+00 -7.322118005e+00 3.14 -6.350391105e+00 -7.366444929e+00 -7.268395837e+00 3.16 -6.267613343e+00 -7.226709951e+00 -7.206279255e+00 3.18 -6.154887906e+00 -7.071013266e+00 -7.142614778e+00 3.20 -6.015156671e+00 -6.913585158e+00 -7.083363912e+00 3.22 -5.864322596e+00 -6.781005650e+00 -7.030803297e+00 3.24 -5.717810232e+00 -6.702565882e+00 -6.984126963e+00 3.26 -5.586104019e+00 -6.655200504e+00 -6.942211537e+00 3.28 -5.469847374e+00 -6.601312029e+00 -6.901451639e+00 3.30 -5.363779232e+00 -6.535481073e+00 -6.864065018e+00 3.32 -5.263064198e+00 -6.454287466e+00 -6.838057975e+00 3.34 -5.159473249e+00 -6.356592372e+00 -6.832701648e+00 3.36 -5.047293334e+00 -6.246248405e+00 -6.853542045e+00 3.38 -4.914447415e+00 -6.129585723e+00 -6.900640184e+00 3.40 -4.752335686e+00 -6.010192511e+00 -6.952989182e+00 3.42 -4.566744102e+00 -5.893309045e+00 -6.984686553e+00 3.44 -4.373267473e+00 -5.781285491e+00 -6.978700255e+00 3.46 -4.175376964e+00 -5.658023534e+00 -6.933647257e+00 3.48 -3.965661414e+00 -5.521951987e+00 -6.852786814e+00 3.50 -3.757102338e+00 -5.388966138e+00 -6.738665910e+00 3.52 -3.563897590e+00 -5.270047215e+00 -6.597094505e+00 3.54 -3.388427723e+00 -5.172161204e+00 -6.446989079e+00 3.56 -3.227600397e+00 -5.102429086e+00 -6.307762697e+00 3.58 -3.080183609e+00 -5.059323639e+00 -6.206994075e+00 3.60 -2.947426001e+00 -5.031608886e+00 -6.137991084e+00 3.62 -2.833291448e+00 -5.007283532e+00 -6.071591828e+00 3.64 -2.741796934e+00 -4.974662289e+00 -6.011299532e+00 3.66 -2.674143337e+00 -4.931425640e+00 -5.960091018e+00 3.68 -2.628813188e+00 -4.883478844e+00 -5.915706889e+00 3.70 -2.602441213e+00 -4.834491410e+00 -5.872090677e+00 3.72 -2.590628619e+00 -4.788104969e+00 -5.822995425e+00 3.74 -2.588171049e+00 -4.744619566e+00 -5.761764359e+00 3.76 -2.589791362e+00 -4.697570254e+00 -5.680857380e+00 3.78 -2.592483013e+00 -4.639877205e+00 -5.573635646e+00 3.80 -2.594137194e+00 -4.565241345e+00 -5.436608446e+00 3.82 -2.593005724e+00 -4.470747355e+00 -5.266506215e+00 3.84 -2.587380753e+00 -4.355585009e+00 -5.078533178e+00 3.86 -2.575342683e+00 -4.220311880e+00 -4.873744999e+00 3.88 -2.555554702e+00 -4.071137487e+00 -4.658349306e+00 3.90 -2.528147931e+00 -3.912074954e+00 -4.428463254e+00 3.92 -2.493250634e+00 -3.745379658e+00 -4.177262268e+00 3.94 -2.451449233e+00 -3.576325332e+00 -3.921000117e+00 3.96 -2.405091932e+00 -3.407092188e+00 -3.661671608e+00 3.98 -2.357596816e+00 -3.235433085e+00 -3.403918725e+00 4.00 -2.311600212e+00 -3.064071936e+00 -3.145300666e+00 4.02 -2.270025620e+00 -2.902977422e+00 -2.880631022e+00 4.04 -2.235998624e+00 -2.760263355e+00 -2.636509315e+00 4.06 -2.211889747e+00 -2.637025826e+00 -2.424902318e+00 4.08 -2.197477732e+00 -2.529378514e+00 -2.237877763e+00 4.10 -2.191454942e+00 -2.432264661e+00 -2.084815726e+00 4.12 -2.194245894e+00 -2.344776088e+00 -1.985616131e+00 4.14 -2.204246045e+00 -2.271058422e+00 -1.936383997e+00 4.16 -2.218900378e+00 -2.213040224e+00 -1.921360996e+00 4.18 -2.235709639e+00 -2.170265017e+00 -1.923050627e+00 4.20 -2.251924076e+00 -2.141216931e+00 -1.925291786e+00 4.22 -2.263507444e+00 -2.126286821e+00 -1.921667862e+00 4.24 -2.266373819e+00 -2.123827683e+00 -1.915144636e+00 4.26 -2.260416619e+00 -2.130358780e+00 -1.909404687e+00 4.28 -2.247675791e+00 -2.142663798e+00 -1.908314066e+00 4.30 -2.230385454e+00 -2.157792879e+00 -1.915843878e+00 4.32 -2.211566755e+00 -2.172973095e+00 -1.933262046e+00 4.34 -2.195314230e+00 -2.185904389e+00 -1.959170699e+00 4.36 -2.185600713e+00 -2.196653591e+00 -1.992254972e+00 4.38 -2.182343157e+00 -2.206239915e+00 -2.031378490e+00 4.40 -2.183058588e+00 -2.215709988e+00 -2.074130324e+00 4.42 -2.185047237e+00 -2.226118446e+00 -2.118063590e+00 4.44 -2.185379494e+00 -2.238512603e+00 -2.162252068e+00 4.46 -2.180975174e+00 -2.253463901e+00 -2.205643643e+00 4.48 -2.168813601e+00 -2.270346167e+00 -2.247463424e+00 4.50 -2.148369303e+00 -2.288613899e+00 -2.287635724e+00 4.52 -2.120678488e+00 -2.307789906e+00 -2.326240984e+00 4.54 -2.086987804e+00 -2.327419826e+00 -2.363396313e+00 4.56 -2.049070646e+00 -2.347078363e+00 -2.399219042e+00 4.58 -2.008945388e+00 -2.366523010e+00 -2.433783792e+00 4.60 -1.968199646e+00 -2.385568253e+00 -2.467009802e+00 4.62 -1.927109792e+00 -2.403013423e+00 -2.497398502e+00 4.64 -1.885842676e+00 -2.416742707e+00 -2.522421972e+00 4.66 -1.846228201e+00 -2.424537167e+00 -2.539880839e+00 4.68 -1.810463447e+00 -2.424139402e+00 -2.547960971e+00 4.70 -1.780316466e+00 -2.413525568e+00 -2.544952485e+00 4.72 -1.757025074e+00 -2.391042704e+00 -2.529031661e+00 4.74 -1.741227877e+00 -2.355596268e+00 -2.498757825e+00 4.76 -1.731796836e+00 -2.309459896e+00 -2.456279030e+00 4.78 -1.725691341e+00 -2.256371164e+00 -2.405114399e+00 4.80 -1.719990836e+00 -2.200193723e+00 -2.348968809e+00 4.82 -1.711880529e+00 -2.144205883e+00 -2.292172766e+00 4.84 -1.698671889e+00 -2.091264080e+00 -2.239647844e+00 4.86 -1.678772831e+00 -2.044299876e+00 -2.196660259e+00 4.88 -1.652670893e+00 -2.004803054e+00 -2.166536125e+00 4.90 -1.620607398e+00 -1.970710454e+00 -2.147270073e+00 4.92 -1.582379774e+00 -1.939590368e+00 -2.135674206e+00 4.94 -1.538099118e+00 -1.910835451e+00 -2.128386785e+00 4.96 -1.488854010e+00 -1.883560183e+00 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