# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-W # implementation = 2025--Sharifi-H--Ni-W--LAMMPS--ipr1 # composition = Ni3W # 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 2025-07-01 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 2.067100781e+03 nan nan 0.92 1.906256191e+03 nan nan 0.94 1.751618200e+03 nan nan 0.96 1.602913639e+03 nan nan 0.98 1.462155204e+03 1.736460508e+03 nan 1.00 1.330521766e+03 1.608513235e+03 nan 1.02 1.208573353e+03 1.490499832e+03 1.442556407e+03 1.04 1.096280549e+03 1.379147345e+03 1.333673645e+03 1.06 9.934431629e+02 1.271599448e+03 1.226324772e+03 1.08 8.997202063e+02 1.169001429e+03 1.122395138e+03 1.10 8.146348076e+02 1.072118574e+03 1.023234362e+03 1.12 7.376286346e+02 9.813775350e+02 9.297061033e+02 1.14 6.681018821e+02 8.969522504e+02 8.423057389e+02 1.16 6.054421569e+02 8.188311499e+02 7.612529304e+02 1.18 5.490448867e+02 7.468694067e+02 6.865640646e+02 1.20 4.983272929e+02 6.808294138e+02 6.181087929e+02 1.22 4.527375159e+02 6.204119350e+02 5.556539353e+02 1.24 4.117601207e+02 5.652798607e+02 4.988973217e+02 1.26 3.749189359e+02 5.150761635e+02 4.474937104e+02 1.28 3.417779557e+02 4.694372764e+02 4.010744220e+02 1.30 3.119408644e+02 4.280028886e+02 3.592620252e+02 1.32 2.850496054e+02 3.904229499e+02 3.216811453e+02 1.34 2.607823066e+02 3.563625051e+02 2.879662302e+02 1.36 2.388507893e+02 3.255048609e+02 2.577669615e+02 1.38 2.189978176e+02 2.975534748e+02 2.307518360e+02 1.40 2.009942001e+02 2.722328812e+02 2.066103526e+02 1.42 1.846358280e+02 2.492889020e+02 1.850541405e+02 1.44 1.697407287e+02 2.284883280e+02 1.658172896e+02 1.46 1.561462251e+02 2.096182320e+02 1.486561019e+02 1.48 1.437063101e+02 1.924850223e+02 1.333484242e+02 1.50 1.322893628e+02 1.769133305e+02 1.196926897e+02 1.52 1.217763270e+02 1.627448048e+02 1.075067739e+02 1.54 1.120594477e+02 1.498368538e+02 9.662673200e+01 1.56 1.030416052e+02 1.380613817e+02 8.690548116e+01 1.58 9.463621169e+01 1.273035399e+02 7.821147270e+01 1.60 8.676754543e+01 1.174605078e+02 7.042737923e+01 1.62 7.937132074e+01 1.084403123e+02 6.344882689e+01 1.64 7.239523334e+01 1.001606924e+02 5.718318549e+01 1.66 6.579915306e+01 9.254800840e+01 5.154842508e+01 1.68 5.955466430e+01 8.553620673e+01 4.647204976e+01 1.70 5.364407081e+01 7.906584881e+01 4.189010775e+01 1.72 4.805876593e+01 7.308322314e+01 3.774627942e+01 1.74 4.279701155e+01 6.753956477e+01 3.399104377e+01 1.76 3.786137018e+01 6.239038631e+01 3.058091792e+01 1.78 3.325610222e+01 5.759492819e+01 2.747776818e+01 1.80 2.898483688e+01 5.311582966e+01 2.464818842e+01 1.82 2.504875653e+01 4.891897947e+01 2.206294118e+01 1.84 2.144542399e+01 4.497355281e+01 1.969645737e+01 1.86 1.816821262e+01 4.125218348e+01 1.752638924e+01 1.88 1.520623148e+01 3.773120400e+01 1.553321204e+01 1.90 1.254482075e+01 3.439088684e+01 1.369987098e+01 1.92 1.016635635e+01 3.121561173e+01 1.201146849e+01 1.94 8.051158333e+00 2.819388895e+01 1.045498795e+01 1.96 6.178383549e+00 2.531818486e+01 9.019050720e+00 1.98 4.526822033e+00 2.258452320e+01 7.693702223e+00 2.00 3.075553405e+00 1.999187201e+01 6.470224526e+00 2.02 1.804446528e+00 1.754135653e+01 5.340963770e+00 2.04 6.944960421e-01 1.523533949e+01 4.299119084e+00 2.06 -2.719461945e-01 1.307651697e+01 3.338576677e+00 2.08 -1.111047123e+00 1.106710650e+01 2.453769459e+00 2.10 -1.837485176e+00 9.208177308e+00 1.639527312e+00 2.12 -2.464474543e+00 7.499243764e+00 8.910300272e-01 2.14 -3.003828906e+00 5.938078908e+00 2.037826860e-01 2.16 -3.466051782e+00 4.520717393e+00 -4.264071161e-01 2.18 -3.860441575e+00 3.241615866e+00 -1.003450356e+00 2.20 -4.195202627e+00 2.093918507e+00 -1.530996144e+00 2.22 -4.477556133e+00 1.069761827e+00 -2.012449860e+00 2.24 -4.713846855e+00 1.606058120e-01 -2.450989963e+00 2.26 -4.909643153e+00 -6.424497264e-01 -2.849583601e+00 2.28 -5.069828953e+00 -1.348386682e+00 -3.211001092e+00 2.30 -5.198687072e+00 -1.966039244e+00 -3.537829361e+00 2.32 -5.299973917e+00 -2.503916826e+00 -3.832484431e+00 2.34 -5.376985840e+00 -2.970076997e+00 -4.097223016e+00 2.36 -5.432617714e+00 -3.372042757e+00 -4.334153290e+00 2.38 -5.469414368e+00 -3.716756783e+00 -4.545244909e+00 2.40 -5.489615565e+00 -4.010564988e+00 -4.732338312e+00 2.42 -5.495195219e+00 -4.259222146e+00 -4.897153381e+00 2.44 -5.487895509e+00 -4.467913245e+00 -5.041297494e+00 2.46 -5.469256495e+00 -4.641285298e+00 -5.166273013e+00 2.48 -5.440641813e+00 -4.783485468e+00 -5.273484256e+00 2.50 -5.403260782e+00 -4.898201890e+00 -5.364243377e+00 2.52 -5.358184523e+00 -4.988697228e+00 -5.439763710e+00 2.54 -5.306363450e+00 -5.057851964e+00 -5.501168546e+00 2.56 -5.248645347e+00 -5.108213253e+00 -5.549510762e+00 2.58 -5.185787925e+00 -5.142031639e+00 -5.585777748e+00 2.60 -5.118469573e+00 -5.161294454e+00 -5.610895425e+00 2.62 -5.047298683e+00 -5.167756191e+00 -5.625732003e+00 2.64 -4.972821753e+00 -5.162965870e+00 -5.631101510e+00 2.66 -4.895530436e+00 -5.148291510e+00 -5.627767093e+00 2.68 -4.815867664e+00 -5.124941894e+00 -5.616444113e+00 2.70 -4.734233011e+00 -5.093985827e+00 -5.597803048e+00 2.72 -4.650987354e+00 -5.056369127e+00 -5.572472215e+00 2.74 -4.566456971e+00 -5.012929562e+00 -5.541040318e+00 2.76 -4.480937120e+00 -4.964409962e+00 -5.504058841e+00 2.78 -4.394695190e+00 -4.911469704e+00 -5.462044297e+00 2.80 -4.307973471e+00 -4.854694767e+00 -5.415480324e+00 2.82 -4.220991602e+00 -4.794606522e+00 -5.364819664e+00 2.84 -4.133948729e+00 -4.731669416e+00 -5.310486011e+00 2.86 -4.047025425e+00 -4.666297685e+00 -5.252875746e+00 2.88 -3.960385391e+00 -4.598861226e+00 -5.192359567e+00 2.90 -3.874176971e+00 -4.529690727e+00 -5.129284007e+00 2.92 -3.788534507e+00 -4.459082152e+00 -5.063972865e+00 2.94 -3.703579552e+00 -4.387300674e+00 -4.996728545e+00 2.96 -3.619421951e+00 -4.314584108e+00 -4.927833302e+00 2.98 -3.536160826e+00 -4.241145932e+00 -4.857550414e+00 3.00 -3.453885449e+00 -4.167177928e+00 -4.786125272e+00 3.02 -3.372676044e+00 -4.092852510e+00 -4.713786396e+00 3.04 -3.292604500e+00 -4.018324765e+00 -4.640746384e+00 3.06 -3.213735025e+00 -3.943734254e+00 -4.567202789e+00 3.08 -3.136124738e+00 -3.869206602e+00 -4.493338931e+00 3.10 -3.059824201e+00 -3.794854895e+00 -4.419324651e+00 3.12 -2.984877908e+00 -3.720780923e+00 -4.345316994e+00 3.14 -2.911324725e+00 -3.647076278e+00 -4.271460842e+00 3.16 -2.839198291e+00 -3.573823327e+00 -4.197889485e+00 3.18 -2.768527373e+00 -3.501096085e+00 -4.124725130e+00 3.20 -2.699336195e+00 -3.428960978e+00 -4.052079358e+00 3.22 -2.631644725e+00 -3.357477540e+00 -3.980053528e+00 3.24 -2.565468930e+00 -3.286699024e+00 -3.908739118e+00 3.26 -2.500821000e+00 -3.216672958e+00 -3.838218014e+00 3.28 -2.437709542e+00 -3.147441638e+00 -3.768562753e+00 3.30 -2.376139737e+00 -3.079042572e+00 -3.699836703e+00 3.32 -2.316113469e+00 -3.011508890e+00 -3.632094203e+00 3.34 -2.257629421e+00 -2.944869697e+00 -3.565380649e+00 3.36 -2.200683138e+00 -2.879150412e+00 -3.499732546e+00 3.38 -2.145267059e+00 -2.814373059e+00 -3.435177522e+00 3.40 -2.091370505e+00 -2.750556544e+00 -3.371734316e+00 3.42 -2.038979646e+00 -2.687716901e+00 -3.309412749e+00 3.44 -1.988077419e+00 -2.625867516e+00 -3.248213703e+00 3.46 -1.938643422e+00 -2.565019339e+00 -3.188129110e+00 3.48 -1.890653768e+00 -2.505181070e+00 -3.129141488e+00 3.50 -1.844080910e+00 -2.446359335e+00 -3.071213037e+00 3.52 -1.798893443e+00 -2.388558847e+00 -3.014282458e+00 3.54 -1.755055892e+00 -2.331782556e+00 -2.958359907e+00 3.56 -1.712528487e+00 -2.276031782e+00 -2.903424292e+00 3.58 -1.671266955e+00 -2.221306348e+00 -2.849374902e+00 3.60 -1.631222349e+00 -2.167604690e+00 -2.796148230e+00 3.62 -1.592340925e+00 -2.114923975e+00 -2.743675975e+00 3.64 -1.554564125e+00 -2.063260195e+00 -2.691886586e+00 3.66 -1.517828681e+00 -2.012608268e+00 -2.640707102e+00 3.68 -1.482066903e+00 -1.962962119e+00 -2.590065254e+00 3.70 -1.447207169e+00 -1.914314771e+00 -2.539891776e+00 3.72 -1.413174695e+00 -1.866658414e+00 -2.490122836e+00 3.74 -1.379892577e+00 -1.819984480e+00 -2.440702447e+00 3.76 -1.347283156e+00 -1.774283711e+00 -2.391584705e+00 3.78 -1.315269681e+00 -1.729546222e+00 -2.342735685e+00 3.80 -1.283778233e+00 -1.685761557e+00 -2.294134814e+00 3.82 -1.252739847e+00 -1.642918746e+00 -2.245775582e+00 3.84 -1.222092701e+00 -1.601006357e+00 -2.197665485e+00 3.86 -1.191784238e+00 -1.560012543e+00 -2.149825186e+00 3.88 -1.161773028e+00 -1.519925088e+00 -2.102286928e+00 3.90 -1.132030204e+00 -1.480731452e+00 -2.055092341e+00 3.92 -1.102540291e+00 -1.442418803e+00 -2.008289821e+00 3.94 -1.073301319e+00 -1.404974066e+00 -1.961931709e+00 3.96 -1.044324151e+00 -1.368383947e+00 -1.916071515e+00 3.98 -1.015631055e+00 -1.332634971e+00 -1.870761385e+00 4.00 -9.872536244e-01 -1.297713514e+00 -1.826049990e+00 4.02 -9.584715445e-01 -1.263605827e+00 -1.781980933e+00 4.04 -9.184893960e-01 -1.230298067e+00 -1.738591736e+00 4.06 -8.406659991e-01 -1.197776319e+00 -1.695913356e+00 4.08 -7.391307079e-01 -1.166026622e+00 -1.653970190e+00 4.10 -7.141694783e-01 -1.135034988e+00 -1.612780453e+00 4.12 -6.919866573e-01 -1.104787427e+00 -1.572356809e+00 4.14 -6.704468779e-01 -1.075269958e+00 -1.532707153e+00 4.16 -6.495342655e-01 -1.046468636e+00 -1.493835422e+00 4.18 -6.292331225e-01 -1.018369561e+00 -1.455742379e+00 4.20 -6.095279644e-01 -9.909588975e-01 -1.418426305e+00 4.22 -5.904035414e-01 -9.642228855e-01 -1.381883571e+00 4.24 -5.718448503e-01 -9.381478562e-01 -1.346109098e+00 4.26 -5.538371429e-01 -9.125352979e-01 -1.311096692e+00 4.28 -5.363659319e-01 -8.837065060e-01 -1.276839303e+00 4.30 -5.194169951e-01 -8.421503749e-01 -1.243329196e+00 4.32 -5.029763792e-01 -7.863840938e-01 -1.210558079e+00 4.34 -4.870304016e-01 -7.556178840e-01 -1.178517193e+00 4.36 -4.715656529e-01 -7.352996454e-01 -1.147197378e+00 4.38 -4.565689976e-01 -7.154708806e-01 -1.116589130e+00 4.40 -4.413419029e-01 -6.961215193e-01 -1.086682641e+00 4.42 -4.138285696e-01 -6.772416370e-01 -1.057467840e+00 4.44 -3.433782528e-01 -6.588214570e-01 -1.028934429e+00 4.46 -2.027301567e-01 -6.408513529e-01 -1.001071912e+00 4.48 -1.017446292e-01 -6.233218504e-01 -9.738696290e-01 4.50 -9.874059958e-02 -6.062236288e-01 -9.473167814e-01 4.52 -9.582341603e-02 -5.895475215e-01 -9.214024581e-01 4.54 -9.299057805e-02 -5.732845172e-01 -8.961156597e-01 4.56 -9.023966001e-02 -5.574257595e-01 -8.714453212e-01 4.58 -8.756830861e-02 -5.419625472e-01 -8.473803320e-01 4.60 -8.497424049e-02 -5.268863334e-01 -8.239095559e-01 4.62 -8.245523997e-02 -5.121887254e-01 -8.010218483e-01 4.64 -8.000915676e-02 -4.978614829e-01 -7.787060731e-01 4.66 -7.763390387e-02 -4.838965174e-01 -7.569511174e-01 4.68 -7.532745556e-02 -4.702858904e-01 -7.357459060e-01 4.70 -7.308784534e-02 -4.570218117e-01 -7.150794142e-01 4.72 -7.091316410e-02 -4.440966379e-01 -6.949406793e-01 4.74 -6.880155823e-02 -4.315028698e-01 -6.753188121e-01 4.76 -6.675122794e-02 -4.192331509e-01 -6.562030061e-01 4.78 -6.476042548e-02 -4.072802647e-01 -6.375825473e-01 4.80 -6.282745357e-02 -3.956371327e-01 -6.194468219e-01 4.82 -6.095066381e-02 -3.842968117e-01 -6.017853240e-01 4.84 -5.912845514e-02 -3.732524916e-01 -5.845876625e-01 4.86 -5.735927242e-02 -3.624974926e-01 -5.678435672e-01 4.88 -5.564160499e-02 -3.520252631e-01 -5.515428938e-01 4.90 -5.397398533e-02 -3.418293768e-01 -5.356756295e-01 4.92 -5.221329792e-02 -3.309788925e-01 -5.188314270e-01 4.94 -4.859943802e-02 -3.079893226e-01 -4.835780653e-01 4.96 -3.889689693e-02 -2.453998491e-01 -3.877670400e-01 4.98 -1.931815683e-02 -1.200192547e-01 -1.931748502e-01 5.00 -1.538773585e-23 -4.220691023e-23 -4.227269379e-23 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 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