# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Beland-L-K-Lu-C-Osetskiy-Y-N-et-al--Ni-Co # implementation = 2016--Beland-L-K--Ni-Co--LAMMPS--ipr1 # composition = Ni # 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 2022-05-24 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 nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan -3.429546737e+02 nan 0.82 nan nan nan nan nan nan nan nan -3.028494949e+02 nan 0.84 nan nan nan nan nan nan nan nan -2.660405949e+02 nan 0.86 nan nan nan nan nan -1.647089336e+02 nan nan -2.321516587e+02 nan 0.88 nan nan nan nan nan -1.384797467e+02 nan nan -2.008585460e+02 nan 0.90 nan nan nan nan nan -1.140065764e+02 nan nan -1.718954427e+02 nan 0.92 nan nan nan nan nan -9.115244550e+01 nan nan -1.450510732e+02 nan 0.94 nan nan nan nan nan -6.981241171e+01 nan nan -1.201571100e+02 nan 0.96 nan nan nan nan nan -4.990631793e+01 nan nan -9.707476488e+01 nan 0.98 nan nan nan -3.758871782e+02 -3.758801020e+02 -3.137803295e+01 nan nan -7.568912869e+01 -1.891915812e+02 1.00 nan -1.626686188e+02 nan -3.384588721e+02 -3.384535616e+02 -1.419307536e+01 -1.686976870e+02 nan -5.590613642e+01 -1.627082731e+02 1.02 nan -1.381941139e+02 nan -3.038381949e+02 -3.038380889e+02 1.677420155e+00 -1.438880842e+02 nan -3.763789280e+01 -1.382181102e+02 1.04 nan -1.155668013e+02 nan -2.718320916e+02 -2.718379413e+02 1.632711878e+01 -1.209404572e+02 nan -2.075431095e+01 -1.155794591e+02 1.06 nan -9.461732938e+01 nan -2.421960728e+02 -2.422055059e+02 2.986227829e+01 -9.968215040e+01 nan -5.122277244e+00 -9.463199036e+01 1.08 nan -7.519533155e+01 nan -2.147124585e+02 -2.147214069e+02 4.149806499e+01 -7.996766025e+01 nan 9.375917144e+00 -7.522612924e+01 1.10 nan -5.716524781e+01 nan -1.891912882e+02 -1.891957717e+02 4.614873071e+01 -6.166918170e+01 -1.634095638e+02 2.284393168e+01 -5.722035554e+01 1.12 -1.654726992e+02 -4.040223004e+01 -1.306713050e+02 -1.654638201e+02 -1.654613461e+02 4.563067644e+01 -4.466770731e+01 -1.410551463e+02 3.537340585e+01 -4.048409607e+01 1.14 -1.433987360e+02 -2.479547303e+01 -1.104043961e+02 -1.433770413e+02 -1.433683044e+02 4.233495514e+01 -2.885172152e+01 -1.202404972e+02 4.422666564e+01 -2.490156794e+01 1.16 -1.228176876e+02 -1.024700783e+01 -9.150942852e+01 -1.227917294e+02 -1.227799986e+02 3.793750949e+01 -1.411826120e+01 -1.008312656e+02 4.667900353e+01 -1.037137577e+01 1.18 -1.036009504e+02 3.330484434e+00 -7.386508767e+01 -1.035803741e+02 -1.035696458e+02 3.356623454e+01 -3.736360439e-01 -8.270848640e+01 4.524433169e+01 3.197338554e+00 1.20 -8.563605520e+01 1.601429443e+01 -5.736841731e+01 -8.562768872e+01 -8.562122525e+01 2.960517558e+01 1.246679413e+01 -6.576847594e+01 4.178562833e+01 1.588603957e+01 1.22 -6.882578956e+01 2.787568726e+01 -4.192935297e+01 -6.883117961e+01 -6.883093717e+01 2.602275003e+01 2.448065462e+01 -4.992012736e+01 3.762032499e+01 2.776652030e+01 1.24 -5.308253012e+01 3.888231891e+01 -2.746712236e+01 -5.309967060e+01 -5.310626402e+01 2.278343909e+01 3.573857877e+01 -3.508112005e+01 3.360898142e+01 3.880281568e+01 1.26 -3.832676642e+01 4.529070400e+01 -1.390973608e+01 -3.835174053e+01 -3.836414815e+01 1.985725613e+01 4.392458709e+01 -2.117672094e+01 2.995358041e+01 4.523844327e+01 1.28 -2.448659740e+01 4.684658185e+01 -1.194225331e+00 -2.451353237e+01 -2.452892828e+01 1.721802709e+01 4.670708152e+01 -8.137886514e+00 2.661501234e+01 4.680883653e+01 1.30 -1.149477261e+01 4.539171959e+01 1.073884543e+01 -1.151708380e+01 -1.153152657e+01 1.484279659e+01 4.601316638e+01 4.100271630e+00 2.356102214e+01 4.536043553e+01 1.32 7.122711299e-01 4.228916049e+01 2.194711397e+01 7.000386484e-01 6.902464948e-01 1.271134664e+01 4.331780570e+01 1.559931721e+01 2.076502709e+01 4.225948903e+01 1.34 1.219359299e+01 3.853432270e+01 3.248575254e+01 1.219456804e+01 1.219179898e+01 1.080566964e+01 3.970558424e+01 2.641651657e+01 1.820515705e+01 3.850283791e+01 1.36 2.300277142e+01 3.482775735e+01 4.161647970e+01 2.301792801e+01 2.302315205e+01 9.109350058e+00 3.595889835e+01 3.660410785e+01 1.586356099e+01 3.479081940e+01 1.38 3.319019249e+01 3.142220719e+01 4.602182811e+01 3.321757479e+01 3.323019936e+01 7.606783916e+00 3.248643508e+01 4.390470107e+01 1.372540571e+01 3.137434467e+01 1.40 4.188210130e+01 2.829497539e+01 4.677121208e+01 4.191174483e+01 4.192692660e+01 6.282598529e+00 2.929518024e+01 4.665273636e+01 1.177791605e+01 2.822956651e+01 1.42 4.603596052e+01 2.542028490e+01 4.519824216e+01 4.606098579e+01 4.607518219e+01 5.121418407e+00 2.635672362e+01 4.636796738e+01 1.000969275e+01 2.532957216e+01 1.44 4.676242427e+01 2.277572999e+01 4.231402951e+01 4.678177820e+01 4.679447932e+01 4.107557238e+00 2.364711062e+01 4.421837352e+01 8.410296377e+00 2.265180244e+01 1.46 4.528418826e+01 2.034192544e+01 3.887755115e+01 4.529811768e+01 4.530919775e+01 3.225484356e+00 2.114610344e+01 4.108837809e+01 6.969609580e+00 2.017719509e+01 1.48 4.253649541e+01 1.810231965e+01 3.544634314e+01 4.254508251e+01 4.255417567e+01 2.460430430e+00 1.883641654e+01 3.763961676e+01 5.677360914e+00 1.788988875e+01 1.50 3.922704769e+01 1.604259028e+01 3.227244855e+01 3.922974006e+01 3.923599916e+01 1.798724269e+00 1.670308757e+01 3.433086242e+01 4.523075982e+00 1.577686063e+01 1.52 3.588132100e+01 1.414993648e+01 2.934560368e+01 3.587750570e+01 3.587974673e+01 1.228162316e+00 1.473281950e+01 3.127508710e+01 3.496034744e+00 1.382732543e+01 1.54 3.276767865e+01 1.241250959e+01 2.664318642e+01 3.275769640e+01 3.275502594e+01 7.380391221e-01 1.291385885e+01 2.844870297e+01 2.585309466e+00 1.203226766e+01 1.56 2.988467707e+01 1.081894921e+01 2.414491993e+01 2.986958575e+01 2.986166999e+01 3.185528156e-01 1.123608389e+01 2.583107440e+01 1.780226605e+00 1.038385026e+01 1.58 2.721163362e+01 9.358369247e+00 2.183293769e+01 2.719296686e+01 2.718007191e+01 -3.939847545e-02 9.690742759e+00 2.340438271e+01 1.070973812e+00 8.874759078e+00 1.60 2.473056869e+01 8.020536320e+00 1.969143547e+01 2.471019518e+01 2.469321501e+01 -3.443389319e-01 8.270110973e+00 2.115327893e+01 4.489859999e-01 7.497979289e+00 1.62 2.242607254e+01 6.795859964e+00 1.770645675e+01 2.240590086e+01 2.238628726e+01 -6.041451709e-01 6.967116838e+00 1.906447054e+01 -9.348031159e-02 6.246712363e+00 1.64 2.028477348e+01 5.675297417e+00 1.586580570e+01 2.026649641e+01 2.024611018e+01 -8.258092543e-01 5.775019019e+00 1.712620633e+01 -5.640053682e-01 5.114036456e+00 1.66 1.829482131e+01 4.650256458e+00 1.415882651e+01 1.827985432e+01 1.826073352e+01 -1.015441748e+00 4.687280254e+00 1.532790245e+01 -9.699709356e-01 4.092629072e+00 1.68 1.644573272e+01 3.712502036e+00 1.257613208e+01 1.643507679e+01 1.641912427e+01 -1.178485868e+00 3.697454339e+00 1.366000283e+01 -1.318456394e+00 3.174955838e+00 1.70 1.472820307e+01 2.854109233e+00 1.110929858e+01 1.472233082e+01 1.471105742e+01 -1.319851136e+00 2.799093902e+00 1.211379111e+01 -1.616135210e+00 2.353471502e+00 1.72 1.313373031e+01 2.067733048e+00 9.750523030e+00 1.313269760e+01 1.312714422e+01 -1.444000512e+00 1.985981646e+00 1.068119604e+01 -1.869234569e+00 1.620669134e+00 1.74 1.165421425e+01 1.347029557e+00 8.492262319e+00 1.165790766e+01 1.165865720e+01 -1.555013807e+00 1.252331701e+00 9.354573701e+00 -2.083571855e+00 9.691637003e-01 1.76 1.028188582e+01 6.870161697e-01 7.327175809e+00 1.029021576e+01 1.029742550e+01 -1.656430278e+00 5.929662226e-01 8.126718944e+00 -2.264674878e+00 3.920942685e-01 1.78 9.009548067e+00 8.385068101e-02 6.248353508e+00 9.022423041e+00 9.035828721e+00 -1.750905398e+00 3.369320903e-03 6.990963251e+00 -2.417733065e+00 -1.167478386e-01 1.80 7.830551107e+00 -4.657633413e-01 5.249299802e+00 7.847758137e+00 7.866696619e+00 -1.840120131e+00 -5.209128238e-01 5.941120374e+00 -2.547556695e+00 -5.633741111e-01 1.82 6.738713601e+00 -9.647953310e-01 4.323870922e+00 6.759776759e+00 6.783238524e+00 -1.925245340e+00 -9.844783592e-01 4.971415250e+00 -2.658500597e+00 -9.536936981e-01 1.84 5.728243145e+00 -1.416067793e+00 3.466217547e+00 5.752407001e+00 5.779120038e+00 -2.007352333e+00 -1.392047721e+00 4.076413482e+00 -2.754324959e+00 -1.293548397e+00 1.86 4.793690423e+00 -1.822370247e+00 2.670874434e+00 4.819965248e+00 4.848494081e+00 -2.087455996e+00 -1.748322174e+00 3.250974979e+00 -2.838102975e+00 -1.588668081e+00 1.88 3.929966698e+00 -2.186445522e+00 1.933113568e+00 3.957162622e+00 3.985990870e+00 -2.166281832e+00 -2.057893240e+00 2.490251856e+00 -2.912136459e+00 -1.844487261e+00 1.90 3.132330292e+00 -2.511065010e+00 1.249167138e+00 3.159096786e+00 3.186708436e+00 -2.244218000e+00 -2.325208948e+00 1.789681094e+00 -2.978038347e+00 -2.066042389e+00 1.92 2.396361183e+00 -2.799149421e+00 6.163527458e-01 2.421239620e+00 2.446204611e+00 -2.321335509e+00 -2.554566047e+00 1.145124511e+00 -3.037101290e+00 -2.257974358e+00 1.94 1.717937519e+00 -3.053787969e+00 3.275531648e-02 1.739453768e+00 1.760516373e+00 -2.397402747e+00 -2.750138043e+00 5.529979476e-01 -3.090458160e+00 -2.424567093e+00 1.96 1.093213968e+00 -3.278103777e+00 -5.032340600e-01 1.110068358e+00 1.126237119e+00 -2.471893598e+00 -2.915960317e+00 9.967830160e-03 -3.139105410e+00 -2.569730626e+00 1.98 5.186018838e-01 -3.475082049e+00 -9.931117587e-01 5.298909363e-01 5.405174947e-01 -2.543997763e+00 -3.055907849e+00 -4.872038344e-01 -3.183849852e+00 -2.696977305e+00 2.00 -9.249017717e-03 -3.647506115e+00 -1.438438863e+00 -3.963319067e-03 8.271967701e-04 -2.612756440e+00 -3.173670741e+00 -9.415661734e-01 -3.225274790e+00 -2.809398196e+00 2.02 -4.934676680e-01 -3.797899495e+00 -1.841016083e+00 -4.942115088e-01 -4.952442018e-01 -2.677281793e+00 -3.272726851e+00 -1.355974397e+00 -3.263770776e+00 -2.909639307e+00 2.04 -9.369771881e-01 -3.928463489e+00 -2.202898963e+00 -9.434359772e-01 -9.500182845e-01 -2.736850335e+00 -3.356295160e+00 -1.733107078e+00 -3.299518226e+00 -2.999876975e+00 2.06 -1.342509235e+00 -4.041011401e+00 -2.526313779e+00 -1.354091400e+00 -1.365708404e+00 -2.790966323e+00 -3.427251679e+00 -2.075482279e+00 -3.332467192e+00 -3.081791350e+00 2.08 -1.712617226e+00 -4.136919899e+00 -2.813678904e+00 -1.728533032e+00 -1.744453675e+00 -2.839391263e+00 -3.488012268e+00 -2.385472233e+00 -3.362347223e+00 -3.156557245e+00 2.10 -2.049688594e+00 -4.217257348e+00 -3.067512595e+00 -2.069001663e+00 -2.088314795e+00 -2.882061575e+00 -3.540474461e+00 -2.665312033e+00 -3.388695910e+00 -3.225026720e+00 2.12 -2.355956118e+00 -4.282945088e+00 -3.290352670e+00 -2.377617549e+00 -2.399278979e+00 -2.919023631e+00 -3.586183520e+00 -2.917111692e+00 -3.411005495e+00 -3.287963679e+00 2.14 -2.633508382e+00 -4.334799244e+00 -3.484731306e+00 -2.656398943e+00 -2.679289504e+00 -2.950408188e+00 -3.626402496e+00 -3.142871052e+00 -3.428858672e+00 -3.346090451e+00 2.16 -2.884299492e+00 -4.373563200e+00 -3.653146957e+00 -2.907294607e+00 -2.930289723e+00 -2.976403722e+00 -3.662129728e+00 -3.344490781e+00 -3.441952200e+00 -3.399960482e+00 2.18 -3.110158068e+00 -4.399941615e+00 -3.798031674e+00 -3.132208736e+00 -3.154259405e+00 -2.997230601e+00 -3.694119281e+00 -3.523782358e+00 -3.450101001e+00 -3.449924667e+00 2.20 -3.312795613e+00 -4.414635980e+00 -3.921714774e+00 -3.333007242e+00 -3.353218871e+00 -3.013119027e+00 -3.722904849e+00 -3.682477123e+00 -3.453226934e+00 -3.496156902e+00 2.22 -3.493814210e+00 -4.418380352e+00 -4.026383780e+00 -3.511484438e+00 -3.529154667e+00 -3.024292746e+00 -3.748826991e+00 -3.822218163e+00 -3.451370516e+00 -3.538682119e+00 2.24 -3.654713705e+00 -4.411952637e+00 -4.114043473e+00 -3.669344553e+00 -3.683975402e+00 -3.030959727e+00 -3.772063412e+00 -3.944501856e+00 -3.444692805e+00 -3.577405471e+00 2.26 -3.796898402e+00 -4.396164675e+00 -4.186471755e+00 -3.808195619e+00 -3.819492835e+00 -3.033305783e+00 -3.792661676e+00 -4.050639578e+00 -3.433435784e+00 -3.612142228e+00 2.28 -3.921683241e+00 -4.371866272e+00 -4.245216592e+00 -3.929542396e+00 -3.937401550e+00 -3.031461846e+00 -3.810554369e+00 -4.141738957e+00 -3.417895998e+00 -3.642647944e+00 2.30 -4.030299565e+00 -4.339887160e+00 -4.291691281e+00 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