# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Mishin-Y-Mehl-M-J-Papaconstantopoulos-D-A--Ni-Al # implementation = 2002--Mishin-Y--Ni-Al--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 7.349384887e+02 nan 0.76 nan nan nan nan nan nan nan nan 6.672051799e+02 nan 0.78 nan nan nan nan nan nan nan nan 6.063878475e+02 nan 0.80 nan nan nan nan nan 4.662521676e+02 nan nan 5.517210782e+02 nan 0.82 nan nan nan nan nan 4.243506127e+02 nan nan 5.024992020e+02 nan 0.84 nan nan nan nan nan 3.866625522e+02 nan nan 4.580636789e+02 nan 0.86 nan nan nan nan nan 3.526683215e+02 nan nan 4.177918182e+02 nan 0.88 nan nan nan nan nan 3.219163324e+02 nan nan 3.812546837e+02 nan 0.90 nan nan nan nan nan 2.940616393e+02 nan nan 3.481141896e+02 nan 0.92 nan 4.653384706e+02 nan 7.169395839e+02 7.169716324e+02 2.688043382e+02 nan nan 3.180153292e+02 4.664679843e+02 0.94 nan 4.276005613e+02 nan 6.630012802e+02 6.630169632e+02 2.459403627e+02 4.359319410e+02 nan 2.906466618e+02 4.287991689e+02 0.96 nan 3.930163556e+02 nan 6.134996368e+02 6.134899363e+02 2.252292867e+02 4.008776285e+02 nan 2.657517661e+02 3.943753499e+02 0.98 nan 3.612891440e+02 nan 5.680537165e+02 5.680315131e+02 2.063481890e+02 3.687757473e+02 nan 2.430771572e+02 3.628333827e+02 1.00 nan 3.321573055e+02 nan 5.262896337e+02 5.262844512e+02 1.890559158e+02 3.393528839e+02 nan 2.223638981e+02 3.338715003e+02 1.02 nan 3.053613222e+02 nan 4.878184117e+02 4.878460944e+02 1.732073525e+02 3.123203273e+02 nan 2.033937240e+02 3.073147949e+02 1.04 4.521829711e+02 2.806860314e+02 4.040501604e+02 4.522922984e+02 4.523354689e+02 1.586799150e+02 2.874380971e+02 4.183877123e+02 1.860051837e+02 2.829915984e+02 1.06 4.193236065e+02 2.579540416e+02 3.739731560e+02 4.194542763e+02 4.194905023e+02 1.453532951e+02 2.645369810e+02 3.875412881e+02 1.700564234e+02 2.606592399e+02 1.08 3.890165400e+02 2.370005702e+02 3.461929418e+02 3.890904060e+02 3.891116380e+02 1.331099389e+02 2.434549390e+02 3.590539329e+02 1.554148476e+02 2.401238038e+02 1.10 3.609797733e+02 2.176807187e+02 3.204640407e+02 3.609687072e+02 3.609702557e+02 1.218381905e+02 2.240425418e+02 3.326802863e+02 1.419697400e+02 2.212439346e+02 1.12 3.349648480e+02 1.998748950e+02 2.966273231e+02 3.348786044e+02 3.348612309e+02 1.114489018e+02 2.061806635e+02 3.082059119e+02 1.296224859e+02 2.038326895e+02 1.14 3.107809866e+02 1.834557141e+02 2.745393710e+02 3.106679528e+02 3.106429226e+02 1.018625442e+02 1.897435282e+02 2.854614658e+02 1.182769406e+02 1.877034132e+02 1.16 2.882781383e+02 1.682922225e+02 2.540384976e+02 2.882084372e+02 2.881895639e+02 9.298523274e+01 1.745727498e+02 2.643285594e+02 1.078428459e+02 1.727421771e+02 1.18 2.673425681e+02 1.542771563e+02 2.349906974e+02 2.673508043e+02 2.673478999e+02 8.473784241e+01 1.605157352e+02 2.447098624e+02 9.823761593e+01 1.588871078e+02 1.20 2.478712552e+02 1.413398886e+02 2.172756442e+02 2.479417447e+02 2.479610909e+02 7.707762899e+01 1.474727383e+02 2.264934192e+02 8.938955602e+01 1.460863226e+02 1.22 2.297609585e+02 1.294164730e+02 2.007932813e+02 2.298597044e+02 2.298990667e+02 6.997879965e+01 1.353864183e+02 2.095650957e+02 8.123897686e+01 1.342679070e+02 1.24 2.129180809e+02 1.184262306e+02 1.854934999e+02 2.130129589e+02 2.130585666e+02 6.342108264e+01 1.242038078e+02 1.938363924e+02 7.373045177e+01 1.233366423e+02 1.26 1.972592034e+02 1.082845113e+02 1.713356998e+02 1.973233004e+02 1.973593469e+02 5.738317682e+01 1.138603443e+02 1.792332428e+02 6.680511436e+01 1.132040758e+02 1.28 1.827064571e+02 9.891407335e+01 1.582339242e+02 1.827227902e+02 1.827423522e+02 5.182517453e+01 1.042847495e+02 1.656757894e+02 6.040185412e+01 1.038098960e+02 1.30 1.691721942e+02 9.024366373e+01 1.460763893e+02 1.691438214e+02 1.691482216e+02 4.668582380e+01 9.541189541e+01 1.530748723e+02 5.446403034e+01 9.511068737e+01 1.32 1.565634930e+02 8.222085037e+01 1.347745083e+02 1.565117833e+02 1.565037063e+02 4.191980934e+01 8.719416240e+01 1.413481358e+02 4.895013924e+01 8.706186059e+01 1.34 1.448069089e+02 7.481105545e+01 1.242716447e+02 1.447506980e+02 1.447305944e+02 3.755120403e+01 7.959672828e+01 1.304288458e+02 4.383504601e+01 7.960975602e+01 1.36 1.338458167e+02 6.797050765e+01 1.145114939e+02 1.337912392e+02 1.337605327e+02 3.355934297e+01 7.258180888e+01 1.202589732e+02 3.909912891e+01 7.269347076e+01 1.38 1.236235609e+02 6.164412067e+01 1.054204899e+02 1.235751628e+02 1.235409305e+02 2.991521462e+01 6.610147925e+01 1.107837128e+02 3.472343325e+01 6.625178834e+01 1.40 1.140873316e+02 5.578789222e+01 9.693463416e+01 1.140560140e+02 1.140298443e+02 2.658633990e+01 6.010016171e+01 1.019565707e+02 3.073928500e+01 6.023700746e+01 1.42 1.051998965e+02 5.036948660e+01 8.901890446e+01 1.051945489e+02 1.051854072e+02 2.354638773e+01 5.452248278e+01 9.374268052e+01 2.712981581e+01 5.462371669e+01 1.44 9.692652770e+01 4.535118501e+01 8.165620853e+01 9.694861024e+01 9.695816675e+01 2.077879440e+01 4.932439624e+01 8.610915644e+01 2.385688580e+01 4.940078791e+01 1.46 8.922159273e+01 4.069098188e+01 7.482270329e+01 8.927005486e+01 8.929492456e+01 1.827029922e+01 4.447920740e+01 7.901741258e+01 2.089041262e+01 4.456047352e+01 1.48 8.203627368e+01 3.636063746e+01 6.847813365e+01 8.211070710e+01 8.214644479e+01 1.600509396e+01 3.997152946e+01 7.242790561e+01 1.820827118e+01 4.008785998e+01 1.50 7.533979491e+01 3.234781149e+01 6.257559805e+01 7.543228418e+01 7.547396215e+01 1.396385777e+01 3.578549428e+01 6.630718549e+01 1.578884934e+01 3.595533743e+01 1.52 6.911785434e+01 2.864218171e+01 5.707525259e+01 6.920726048e+01 6.924880842e+01 1.212445761e+01 3.189965511e+01 6.062535859e+01 1.360808207e+01 3.212645508e+01 1.54 6.335312429e+01 2.526320400e+01 5.194927872e+01 6.341106134e+01 6.344586593e+01 1.046360030e+01 2.831877354e+01 5.534889645e+01 1.164407586e+01 2.860987178e+01 1.56 5.800715982e+01 2.218713822e+01 4.717771381e+01 5.801524968e+01 5.803848280e+01 8.959703660e+00 2.505672549e+01 5.043871346e+01 9.879073975e+00 2.538802647e+01 1.58 5.302667404e+01 1.938022350e+01 4.274551286e+01 5.298814667e+01 5.299795966e+01 7.598046313e+00 2.209019172e+01 4.585719281e+01 8.296055411e+00 2.243627423e+01 1.60 4.836653360e+01 1.682390123e+01 3.863968438e+01 4.830075551e+01 4.829788699e+01 6.371043036e+00 1.939592801e+01 4.157553800e+01 6.877357262e+00 1.973555047e+01 1.62 4.399952459e+01 1.450758856e+01 3.484099846e+01 4.392841208e+01 4.391521644e+01 5.272350409e+00 1.694774509e+01 3.757367522e+01 5.606170368e+00 1.726981877e+01 1.64 3.990939019e+01 1.241765236e+01 3.131604232e+01 3.984766680e+01 3.982690049e+01 4.290380581e+00 1.471696040e+01 3.383513347e+01 4.467222520e+00 1.502600147e+01 1.66 3.608219730e+01 1.053261997e+01 2.802738631e+01 3.603525882e+01 3.600878424e+01 3.408292489e+00 1.267811536e+01 3.034240918e+01 3.446451387e+00 1.299165308e+01 1.68 3.250176125e+01 8.826572709e+00 2.498028364e+01 3.246919544e+01 3.243777425e+01 2.611195775e+00 1.081446516e+01 2.708716556e+01 2.531846516e+00 1.115175098e+01 1.70 2.915118324e+01 7.275766175e+00 2.216175329e+01 2.913125723e+01 2.909573877e+01 1.889691838e+00 9.117568768e+00 2.409011945e+01 1.714547611e+00 9.488755143e+00 1.72 2.603976403e+01 5.864108070e+00 1.955990165e+01 2.603326829e+01 2.599657864e+01 1.237522439e+00 7.582065098e+00 2.133726407e+01 9.872563539e-01 7.985331519e+00 1.74 2.317794707e+01 4.583621420e+00 1.716433148e+01 2.318583312e+01 2.315308437e+01 6.491387445e-01 6.200324939e+00 1.881449396e+01 3.412888475e-01 6.627431549e+00 1.76 2.054976550e+01 3.430723763e+00 1.496319721e+01 2.057172534e+01 2.054923877e+01 1.197368430e-01 4.961067072e+00 1.650798829e+01 -2.338509061e-01 5.403885524e+00 1.78 1.813972013e+01 2.401469902e+00 1.294565096e+01 1.817282184e+01 1.816603755e+01 -3.536987948e-01 3.851788952e+00 1.440132049e+01 -7.480786718e-01 4.303626245e+00 1.80 1.593193956e+01 1.488303741e+00 1.110375461e+01 1.597122704e+01 1.598248849e+01 -7.723162415e-01 2.860338692e+00 1.247691405e+01 -1.208141904e+00 3.315221271e+00 1.82 1.391182318e+01 6.795658327e-01 9.430432173e+00 1.395070500e+01 1.397784357e+01 -1.137345581e+00 1.975121431e+00 1.071871578e+01 -1.617554259e+00 2.428677902e+00 1.84 1.206676898e+01 -3.880377448e-02 7.916460572e+00 1.209770438e+01 1.213475845e+01 -1.451902690e+00 1.185523777e+00 9.112898049e+00 -1.978339504e+00 1.636059846e+00 1.86 1.038325769e+01 -6.800729162e-01 6.548508691e+00 1.040043717e+01 1.044040775e+01 -1.721451207e+00 4.826376417e-01 7.646421085e+00 -2.292974969e+00 9.288108074e-01 1.88 8.844469136e+00 -1.253878383e+00 5.310062708e+00 8.847114745e+00 8.884775623e+00 -1.952469793e+00 -1.410920371e-01 6.306117690e+00 -2.565165848e+00 2.958404625e-01 1.90 7.432602672e+00 -1.765428079e+00 4.185201356e+00 7.426023937e+00 7.458939167e+00 -2.150368894e+00 -6.928486790e-01 5.080140239e+00 -2.799398457e+00 -2.744060603e-01 1.92 6.133832722e+00 -2.216686234e+00 3.162568453e+00 6.126528741e+00 6.154163495e+00 -2.318157350e+00 -1.180135496e+00 3.960187618e+00 -3.000136596e+00 -7.901525581e-01 1.94 4.940597377e+00 -2.608645985e+00 2.235564829e+00 4.939296361e+00 4.961441662e+00 -2.457473015e+00 -1.611137408e+00 2.941708834e+00 -3.171102230e+00 -1.255155955e+00 1.96 3.849224668e+00 -2.943456769e+00 1.399009398e+00 3.856044069e+00 3.872126685e+00 -2.571038312e+00 -1.994182700e+00 2.021948378e+00 -3.314944006e+00 -1.671451341e+00 1.98 2.856772801e+00 -3.224966149e+00 6.458685999e-01 2.869709127e+00 2.879015159e+00 -2.664081681e+00 -2.336259123e+00 1.198064571e+00 -3.433121521e+00 -2.042114166e+00 2.00 1.959319543e+00 -3.458377702e+00 -3.325451756e-02 1.974674283e+00 1.976787434e+00 -2.743285897e+00 -2.642200750e+00 4.656824666e-01 -3.526200808e+00 -2.372057738e+00 2.02 1.152466553e+00 -3.649518367e+00 -6.474401178e-01 1.166820813e+00 1.161763975e+00 -2.813904605e+00 -2.914778217e+00 -1.813402979e-01 -3.594604284e+00 -2.666567119e+00 2.04 4.327777301e-01 -3.804469663e+00 -1.202243247e+00 4.431550279e-01 4.311145618e-01 -2.877653602e+00 -3.155411292e+00 -7.507186315e-01 -3.639336820e+00 -2.929237688e+00 2.06 -2.029530999e-01 -3.929843750e+00 -1.699621444e+00 -1.996580396e-01 -2.185222258e-01 -2.933389196e+00 -3.365293947e+00 -1.251725096e+00 -3.662664810e+00 -3.161967704e+00 2.08 -7.596476033e-01 -4.032540878e+00 -2.139570245e+00 -7.668341472e-01 -7.922231984e-01 -2.978933719e+00 -3.545892020e+00 -1.694577405e+00 -3.668337667e+00 -3.365783800e+00 2.10 -1.245829171e+00 -4.118574774e+00 -2.521932958e+00 -1.266104044e+00 -1.297114743e+00 -3.012517437e+00 -3.698863472e+00 -2.089308643e+00 -3.660848994e+00 -3.541563659e+00 2.12 -1.673824416e+00 -4.191847246e+00 -2.847910866e+00 -1.707077896e+00 -1.741769385e+00 -3.033495129e+00 -3.825882673e+00 -2.444376256e+00 -3.644252095e+00 -3.690415337e+00 2.14 -2.057135646e+00 -4.253749190e+00 -3.120876423e+00 -2.099622070e+00 -2.135095128e+00 -3.042190989e+00 -3.928552376e+00 -2.765421004e+00 -3.621262352e+00 -3.813586682e+00 2.16 -2.406314699e+00 -4.303755380e+00 -3.346362877e+00 -2.451722356e+00 -2.484884650e+00 -3.039262264e+00 -4.008760671e+00 -3.054967095e+00 -3.593073044e+00 -3.912079492e+00 2.18 -2.726611152e+00 -4.340790360e+00 -3.531903796e+00 -2.768363709e+00 -2.796865486e+00 -3.025823898e+00 -4.069021873e+00 -3.313544157e+00 -3.559754699e+00 -3.986642442e+00 2.20 -3.018680481e+00 -4.364267291e+00 -3.686040245e+00 -3.051987235e+00 -3.074680298e+00 -3.003695629e+00 -4.112446487e+00 -3.541236717e+00 -3.520764927e+00 -4.037956623e+00 2.22 -3.281045008e+00 -4.374279991e+00 -3.816872642e+00 -3.303802213e+00 -3.320503257e+00 -2.975364252e+00 -4.142239624e+00 -3.738737728e+00 -3.475393664e+00 -4.066990416e+00 2.24 -3.512464819e+00 -4.371464767e+00 -3.930823513e+00 -3.524886120e+00 -3.535749605e+00 -2.943473173e+00 -4.160981423e+00 -3.907943454e+00 -3.423138724e+00 -4.075508243e+00 2.26 -3.713438719e+00 -4.356487136e+00 -4.031863102e+00 -3.716846967e+00 -3.721778855e+00 -2.910027797e+00 -4.170195543e+00 -4.051496147e+00 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