# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--fictional-spread-alloy # implementation = 2023--Daw-M-S--fictional-spread-alloy--LAMMPS--ipr1 # composition = B # 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 2026-08-31 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 4.707754687e+06 nan nan nan nan 0.72 nan nan nan nan nan 4.237150905e+06 nan nan nan nan 0.74 nan nan nan nan nan 3.816595617e+06 nan nan 4.547604307e+06 nan 0.76 nan nan nan nan nan 3.439710453e+06 nan nan 4.112218396e+06 nan 0.78 nan nan nan nan nan 3.101037973e+06 nan nan 3.720852302e+06 nan 0.80 nan 4.865492875e+06 nan nan nan 2.795893447e+06 nan nan 3.368120492e+06 4.871223084e+06 0.82 nan 4.437226811e+06 nan nan nan 2.520312157e+06 4.518911152e+06 nan 3.049460332e+06 4.443069513e+06 0.84 nan 4.049192646e+06 nan nan nan 2.270835273e+06 4.125373699e+06 nan 2.760898081e+06 4.055141003e+06 0.86 nan 3.696833362e+06 nan nan nan 2.044473798e+06 3.768032948e+06 nan 2.499018543e+06 3.702839442e+06 0.88 nan 3.376207792e+06 4.720489257e+06 nan nan 1.838662210e+06 3.442817461e+06 4.875221603e+06 2.260828069e+06 3.382271875e+06 0.90 4.824163679e+06 3.083850364e+06 4.338938913e+06 4.824141532e+06 4.824150572e+06 1.651141815e+06 3.146254305e+06 4.483424532e+06 2.043727778e+06 3.089973915e+06 0.92 4.443995166e+06 2.816733908e+06 3.990170903e+06 4.443989479e+06 4.444004564e+06 1.479959410e+06 2.875289236e+06 4.125320062e+06 1.845482658e+06 2.822948359e+06 0.94 4.095824467e+06 2.572223829e+06 3.670820342e+06 4.095855076e+06 4.095872964e+06 1.323420219e+06 2.627279781e+06 3.797397623e+06 1.664144898e+06 2.578511489e+06 0.96 3.776425901e+06 2.348022502e+06 3.377874025e+06 3.776470904e+06 3.776487500e+06 1.180022868e+06 2.399879752e+06 3.496592307e+06 1.497979529e+06 2.354380401e+06 0.98 3.482913632e+06 2.142099901e+06 3.108701948e+06 3.482940278e+06 3.482952063e+06 1.048473694e+06 2.191004842e+06 3.220175914e+06 1.345467315e+06 2.148515533e+06 1.00 3.212723806e+06 1.952652970e+06 2.860973442e+06 3.212722298e+06 3.212726951e+06 9.276140539e+05 1.998838427e+06 2.965739759e+06 1.205266487e+06 1.959131629e+06 1.02 2.963622823e+06 1.778102448e+06 2.632594511e+06 2.963599372e+06 2.963601520e+06 8.163696758e+05 1.821766099e+06 2.731173200e+06 1.076188649e+06 1.784629321e+06 1.04 2.733594014e+06 1.617037693e+06 2.421718239e+06 2.733578177e+06 2.733584374e+06 7.138213464e+05 1.658376326e+06 2.514589081e+06 9.571652575e+05 1.623586807e+06 1.06 2.520880651e+06 1.468204686e+06 2.226732529e+06 2.520890867e+06 2.520909241e+06 6.191571351e+05 1.507380668e+06 2.314332088e+06 8.472525254e+05 1.474773609e+06 1.08 2.323892878e+06 1.330481893e+06 2.046217485e+06 2.323935568e+06 2.323958817e+06 5.316658601e+05 1.367644458e+06 2.128926104e+06 7.456203668e+05 1.337101432e+06 1.10 2.141259793e+06 1.202879709e+06 1.878887156e+06 2.141311209e+06 2.141330899e+06 4.506999389e+05 1.238173894e+06 1.957052282e+06 6.515315564e+05 1.209554435e+06 1.12 1.971735411e+06 1.084507392e+06 1.723592688e+06 1.971769160e+06 1.971784714e+06 3.756891016e+05 1.118066001e+06 1.797515815e+06 5.643184947e+05 1.091225135e+06 1.14 1.814172219e+06 9.745618130e+05 1.579252976e+06 1.814180051e+06 1.814189364e+06 3.061074008e+05 1.006514194e+06 1.649241085e+06 4.833897400e+05 9.813341471e+05 1.16 1.667529544e+06 8.723321617e+05 1.444946741e+06 1.667516909e+06 1.667520277e+06 2.414914525e+05 9.027893012e+05 1.511260576e+06 4.082110546e+05 8.791548940e+05 1.18 1.530901979e+06 7.771755538e+05 1.319846473e+06 1.530871769e+06 1.530872649e+06 1.870681896e+05 8.062465294e+05 1.382709695e+06 3.383006135e+05 7.840185483e+05 1.20 1.403446089e+06 6.885000206e+05 1.203177108e+06 1.403426788e+06 1.403430161e+06 1.452228783e+05 7.162829593e+05 1.262811846e+06 2.732202134e+05 6.953456231e+05 1.22 1.284437796e+06 6.057791671e+05 1.094257688e+06 1.284444417e+06 1.284453130e+06 1.129611943e+05 6.323506679e+05 1.150882491e+06 2.139929545e+05 6.126163195e+05 1.24 1.173207614e+06 5.285323210e+05 9.924808804e+05 1.173237801e+06 1.173252250e+06 8.803186961e+04 5.539568589e+05 1.046292516e+06 1.670529818e+05 5.353699285e+05 1.26 1.069148810e+06 4.563426555e+05 8.972704277e+05 1.069192386e+06 1.069214464e+06 6.872661403e+04 4.806740621e+05 9.484611972e+05 1.306382624e+05 4.631857937e+05 1.28 9.717145913e+05 3.888199204e+05 8.081290427e+05 9.717585654e+05 9.717843081e+05 5.374607904e+04 4.121139651e+05 8.568666147e+05 1.023285913e+05 3.956717590e+05 1.30 8.803957400e+05 3.255982605e+05 7.246085709e+05 8.804322875e+05 8.804559441e+05 4.209901805e+04 3.479214045e+05 7.710369245e+05 8.027573760e+04 3.324601641e+05 1.32 7.947374763e+05 2.663592906e+05 6.463010308e+05 7.947595468e+05 7.947770561e+05 3.302747735e+04 2.877695014e+05 6.905395023e+05 6.306285672e+04 2.732259348e+05 1.34 7.143249970e+05 2.123845103e+05 5.728057265e+05 7.143278039e+05 7.143384002e+05 2.594732598e+04 2.315719645e+05 6.149811631e+05 4.960390423e+04 2.186606973e+05 1.36 6.387676266e+05 1.690493927e+05 5.037644696e+05 6.387556891e+05 6.387612406e+05 2.041112856e+04 1.845992784e+05 5.439910811e+05 3.906112956e+04 1.743534618e+05 1.38 5.677061187e+05 1.347340224e+05 4.388474711e+05 5.676909734e+05 5.676933178e+05 1.607330118e+04 1.473626827e+05 4.772380845e+05 3.079062462e+04 1.392240284e+05 1.40 5.008231578e+05 1.075200509e+05 3.777677012e+05 5.008120398e+05 5.008120952e+05 1.266967259e+04 1.177953167e+05 4.144231230e+05 2.429437649e+04 1.113195965e+05 1.42 4.378308618e+05 8.590342237e+04 3.202615359e+05 4.378224074e+05 4.378209990e+05 9.996023681e+03 9.427727400e+04 3.552683979e+05 1.918553260e+04 8.911747103e+04 1.44 3.784543761e+05 6.870349512e+04 2.660661966e+05 3.784516802e+05 3.784515295e+05 7.892943958e+03 7.554178847e+04 2.995216416e+05 1.516284055e+04 7.142123208e+04 1.46 3.224472252e+05 5.500007779e+04 2.161602180e+05 3.224549588e+05 3.224596125e+05 6.236808208e+03 6.059270637e+04 2.469503944e+05 1.199224901e+04 5.729528954e+04 1.48 2.695886015e+05 4.406942885e+04 1.752804288e+05 2.696077502e+05 2.696201901e+05 4.931430360e+03 4.864646416e+04 2.004853086e+05 9.490513812e+03 4.600573175e+04 1.50 2.205122225e+05 3.533974123e+04 1.422908955e+05 2.205386563e+05 2.205562435e+05 3.901631594e+03 3.908699738e+04 1.629400889e+05 7.514340255e+03 3.697263608e+04 1.52 1.798497278e+05 2.835816585e+04 1.156346378e+05 1.798751492e+05 1.798932931e+05 3.088668869e+03 3.142890912e+04 1.325719826e+05 5.952096466e+03 2.973743614e+04 1.54 1.468395579e+05 2.276926177e+04 9.406786881e+04 1.468653044e+05 1.468828806e+05 2.446472570e+03 2.528812517e+04 1.079736921e+05 4.716243765e+03 2.393652785e+04 1.56 1.200080497e+05 1.829166673e+04 7.659348344e+04 1.200314984e+05 1.200468477e+05 1.938823201e+03 2.035970370e+04 8.802413368e+04 3.738003440e+03 1.928119473e+04 1.58 9.817358969e+04 1.470175068e+04 6.241701260e+04 9.819228275e+04 9.820452231e+04 1.537245209e+03 1.640086783e+04 7.182526509e+04 2.963209138e+03 1.554073966e+04 1.60 8.038582297e+04 1.182143371e+04 5.090454510e+04 8.039758520e+04 8.040640632e+04 1.219433814e+03 1.321783737e+04 5.865608937e+04 2.349200182e+03 1.253169039e+04 1.62 6.587927962e+04 9.508154833e+03 4.154526872e+04 6.588233294e+04 6.588778554e+04 9.677397190e+02 1.065679641e+04 4.793788597e+04 1.862467976e+03 1.010945420e+04 1.64 5.403203543e+04 7.648779009e+03 3.392857400e+04 5.402865279e+04 5.403137283e+04 7.682812172e+02 8.594780089e+03 3.920398897e+04 1.476551541e+03 8.158069436e+03 1.66 4.434329602e+04 6.153571612e+03 2.772499624e+04 4.433784173e+04 4.433875178e+04 6.101856275e+02 6.933449344e+03 3.207964174e+04 1.170460402e+03 6.584856794e+03 1.68 3.641348208e+04 4.950830711e+03 2.266848564e+04 3.640824744e+04 3.640800348e+04 4.848525656e+02 5.594255196e+03 2.626375173e+04 9.276391539e+02 5.315998212e+03 1.70 2.991795452e+04 3.983068340e+03 1.854359550e+04 2.991381390e+04 2.991297917e+04 3.854755447e+02 4.514216050e+03 2.151194949e+04 7.350118248e+02 4.292205772e+03 1.72 2.459234776e+04 3.204137195e+03 1.517516393e+04 2.459018731e+04 2.458938559e+04 3.066596302e+02 3.642611084e+03 1.762701936e+04 5.822120776e+02 3.465799701e+03 1.74 2.022312662e+04 2.577058601e+03 1.242142218e+04 2.022257521e+04 2.022192663e+04 2.441056755e+02 2.938943679e+03 1.444857409e+04 4.609953488e+02 2.798556445e+03 1.76 1.663644876e+04 2.072056230e+03 1.016901854e+04 1.663685368e+04 1.663637502e+04 1.944487598e+02 2.370805359e+03 1.184641978e+04 3.648481068e+02 2.259718592e+03 1.78 1.369015462e+04 1.665278924e+03 8.326025930e+03 1.369114112e+04 1.369088129e+04 1.550255283e+02 1.912075399e+03 9.714858388e+03 2.886156594e+02 1.824426201e+03 1.80 1.126824917e+04 1.337653610e+03 6.817515513e+03 1.126972879e+04 1.126976219e+04 1.237193426e+02 1.541689677e+03 7.967984455e+03 2.281980042e+02 1.472656129e+03 1.82 9.276584595e+03 1.073844043e+03 5.582276798e+03 9.278419811e+03 9.278768111e+03 9.884459544e+01 1.242653064e+03 6.535898134e+03 1.803276473e+02 1.188394706e+03 1.84 7.638126725e+03 8.614851120e+02 4.570586762e+03 7.640023211e+03 7.640674432e+03 7.907220407e+01 1.001221772e+03 5.361494147e+03 1.424080206e+02 9.587075789e+02 1.86 6.289702120e+03 6.906045451e+02 3.741866561e+03 6.291421351e+03 6.292343717e+03 6.334727032e+01 8.063050630e+02 4.398038917e+03 1.123814505e+02 7.731244363e+02 1.88 5.179346139e+03 5.531583342e+02 3.062955001e+03 5.180912577e+03 5.182063992e+03 5.083171226e+01 6.489748861e+02 3.607339599e+03 8.861359961e+01 6.231441121e+02 1.90 4.264823398e+03 4.426561070e+02 2.506737961e+03 4.266176690e+03 4.267417969e+03 4.085996575e+01 5.220151079e+02 2.958330320e+03 6.980762495e+01 5.019700183e+02 1.92 3.511484808e+03 3.538367235e+02 2.051034593e+03 3.512526696e+03 3.513692452e+03 3.290372396e+01 4.195678780e+02 2.425538325e+03 5.493320778e+01 4.041059041e+02 1.94 2.890855635e+03 2.824759822e+02 1.677691409e+03 2.891547240e+03 2.892542068e+03 2.654386450e+01 3.369323374e+02 1.988151297e+03 4.317111921e+01 3.250999843e+02 1.96 2.379464432e+03 2.251769302e+02 1.371810473e+03 2.379835000e+03 2.380621462e+03 2.144762123e+01 2.703117841e+02 1.629052131e+03 3.387043083e+01 2.613374727e+02 1.98 1.957877453e+03 1.791988310e+02 1.121116762e+03 1.958067276e+03 1.958669219e+03 1.735054961e+01 2.166236902e+02 1.334190362e+03 2.651353062e+01 2.098726894e+02 2.00 1.610346516e+03 1.423366227e+02 9.156966523e+02 1.610458477e+03 1.610903582e+03 1.404538505e+01 1.733803845e+02 1.092125933e+03 2.069095698e+01 1.683576542e+02 2.02 1.323911140e+03 1.128099513e+02 7.474274674e+02 1.324010007e+03 1.324323783e+03 1.136809529e+01 1.385689321e+02 8.934581672e+02 1.607869952e+01 1.348911450e+02 2.04 1.087880442e+03 8.918129500e+01 6.096402411e+02 1.087987404e+03 1.088192836e+03 9.188820742e+00 1.105613134e+02 7.304577812e+02 1.241982100e+01 1.079309539e+02 2.06 8.934336248e+02 7.029057038e+01 4.968589426e+02 8.935285580e+02 8.936459889e+02 7.404865147e+00 8.804172676e+01 5.967687386e+02 9.511617397e+00 8.622660145e+01 2.08 7.332867296e+02 5.520090973e+01 4.045748627e+02 7.333598431e+02 7.334093740e+02 5.934931532e+00 6.994472242e+01 4.871614010e+02 7.194263789e+00 6.876319204e+01 2.10 6.014223057e+02 4.315601711e+01 3.290718692e+02 6.014751341e+02 6.014791065e+02 4.714820249e+00 5.541320958e+01 3.973318791e+02 5.341682932e+00 5.471718511e+01 2.12 4.928878810e+02 3.355083287e+01 2.673356639e+02 4.929229110e+02 4.928979398e+02 3.694532592e+00 4.375426395e+01 3.237474326e+02 3.854587712e+00 4.342649523e+01 2.14 4.035947972e+02 2.589818610e+01 2.168901542e+02 4.036146369e+02 4.035725960e+02 2.834604152e+00 3.440708146e+01 2.634960555e+02 2.654928521e+00 3.435531338e+01 2.16 3.301667356e+02 1.980475574e+01 1.756997984e+02 3.301738997e+02 3.301231210e+02 2.103891217e+00 2.691787091e+01 2.141778792e+02 1.681464523e+00 2.707015026e+01 2.18 2.698157211e+02 1.495598528e+01 1.420916663e+02 2.698077075e+02 2.697538968e+02 1.477841582e+00 2.092008763e+01 1.738337635e+02 8.862033317e-01 2.122062438e+01 2.20 2.202397996e+02 1.109871865e+01 1.146912876e+02 2.202135834e+02 2.201605180e+02 9.371146058e-01 1.611855319e+01 1.408445021e+02 2.317016517e-01 1.652381914e+01 2.22 1.795312753e+02 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