# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Mishin-Y--Ni-Al # implementation = 2004--Mishin-Y--Ni-Al--LAMMPS--ipr2 # composition = Al # 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 nan nan 0.82 nan nan nan nan nan nan nan nan 2.528697712e+02 nan 0.84 nan nan nan nan nan nan nan nan 2.324480110e+02 nan 0.86 nan nan nan nan nan nan nan nan 2.138933351e+02 nan 0.88 nan nan nan nan nan 1.662681614e+02 nan nan 1.969988499e+02 nan 0.90 nan nan nan nan nan 1.529156400e+02 nan nan 1.815865645e+02 nan 0.92 nan nan nan nan nan 1.407131803e+02 nan nan 1.674997555e+02 nan 0.94 nan nan nan nan nan 1.295398643e+02 nan nan 1.545974016e+02 nan 0.96 nan nan nan nan nan 1.192921093e+02 nan nan 1.427560871e+02 nan 0.98 nan nan nan nan nan 1.098824947e+02 nan nan 1.318682459e+02 nan 1.00 nan nan nan 2.649611585e+02 2.649627610e+02 1.012337966e+02 nan nan 1.218412948e+02 1.758076405e+02 1.02 nan 1.632104464e+02 nan 2.473434350e+02 2.473457040e+02 9.327809545e+01 1.661709417e+02 nan 1.125962145e+02 1.634019839e+02 1.04 nan 1.517380324e+02 nan 2.310628080e+02 2.310644052e+02 8.595442354e+01 1.545439307e+02 nan 1.040620797e+02 1.519372460e+02 1.06 nan 1.411238414e+02 nan 2.159949190e+02 2.159949620e+02 7.920486863e+01 1.437872748e+02 nan 9.617316794e+01 1.413252669e+02 1.08 nan 1.312909038e+02 nan 2.020289602e+02 2.020273690e+02 7.297401684e+01 1.338189315e+02 nan 8.886925281e+01 1.314902509e+02 1.10 nan 1.221692730e+02 nan 1.890666776e+02 1.890641189e+02 6.720919041e+01 1.245665763e+02 nan 8.209670182e+01 1.223633808e+02 1.12 nan 1.136957064e+02 nan 1.770216853e+02 1.770192725e+02 6.186004956e+01 1.159675649e+02 nan 7.580769759e+01 1.138830519e+02 1.14 1.658214178e+02 1.058140624e+02 1.490934170e+02 1.658163097e+02 1.658151492e+02 5.688105418e+01 1.079660047e+02 1.540740648e+02 6.995991118e+01 1.059941556e+02 1.16 1.553782409e+02 9.847375321e+01 1.395122289e+02 1.553788056e+02 1.553793352e+02 5.223466587e+01 1.005120165e+02 1.442370459e+02 6.451645401e+01 9.864783289e+01 1.18 1.456376454e+02 9.162893685e+01 1.305774782e+02 1.456435809e+02 1.456453272e+02 4.790516497e+01 9.356054146e+01 1.350642738e+02 5.944569933e+01 9.180075401e+01 1.20 1.365442191e+02 8.523878975e+01 1.222386496e+02 1.365520163e+02 1.365537891e+02 4.392043359e+01 8.707106586e+01 1.265018808e+02 5.472045913e+01 8.541302398e+01 1.22 1.280467267e+02 7.926706562e+01 1.144475095e+02 1.280520099e+02 1.280526503e+02 4.024170934e+01 8.100807671e+01 1.184997139e+02 5.031615360e+01 7.944664110e+01 1.24 1.200976753e+02 7.368107736e+01 1.071582861e+02 1.200974855e+02 1.200967746e+02 3.683152327e+01 7.533907248e+01 1.110114176e+02 4.623314815e+01 7.386668215e+01 1.26 1.126516130e+02 6.845092397e+01 1.003290193e+02 1.126461643e+02 1.126447092e+02 3.365992585e+01 7.003352909e+01 1.039948153e+02 4.249054236e+01 6.864318804e+01 1.28 1.056667407e+02 6.354970982e+01 9.392216242e+01 1.056589938e+02 1.056576580e+02 3.070360990e+01 6.506337063e+01 9.741252548e+01 3.904989826e+01 6.375028267e+01 1.30 9.910664442e+01 5.895282976e+01 8.790579529e+01 9.910048502e+01 9.910012171e+01 2.794517951e+01 6.040298633e+01 9.123184353e+01 3.587614206e+01 5.916423233e+01 1.32 9.294037787e+01 5.463803778e+01 8.225158655e+01 9.293875722e+01 9.294003394e+01 2.537191862e+01 5.602917253e+01 8.542411624e+01 3.293872053e+01 5.486403743e+01 1.34 8.714045728e+01 5.058468150e+01 7.693324501e+01 8.714479644e+01 8.714789634e+01 2.297385146e+01 5.192100864e+01 7.996358922e+01 3.021159015e+01 5.083175256e+01 1.36 8.168208418e+01 4.678438607e+01 7.192726354e+01 8.169163773e+01 8.169617504e+01 2.074244310e+01 4.806183519e+01 7.482660817e+01 2.767289686e+01 4.706109593e+01 1.38 7.654264158e+01 4.326445939e+01 6.721279057e+01 7.655441290e+01 7.655955760e+01 1.867080335e+01 4.447841893e+01 6.999074792e+01 2.530455996e+01 4.357958676e+01 1.40 7.170021433e+01 4.000051353e+01 6.277045314e+01 7.171061089e+01 7.171539439e+01 1.675349765e+01 4.116202283e+01 6.543445100e+01 2.309153573e+01 4.036124569e+01 1.42 6.713405487e+01 3.696681148e+01 5.858208885e+01 6.714039845e+01 6.714398793e+01 1.498497897e+01 3.808730596e+01 6.113762441e+01 2.102100756e+01 3.737726900e+01 1.44 6.282480980e+01 3.414064346e+01 5.463104771e+01 6.282591454e+01 6.282773511e+01 1.335854764e+01 3.523176942e+01 5.708198672e+01 1.908215438e+01 3.460151741e+01 1.46 5.875431082e+01 3.150262281e+01 5.090140485e+01 5.875061849e+01 5.875060356e+01 1.186579262e+01 3.257504216e+01 5.325094504e+01 1.726657684e+01 3.201128247e+01 1.48 5.490585407e+01 2.903694444e+01 4.738189535e+01 5.489905892e+01 5.489776407e+01 1.049745286e+01 3.009899989e+01 4.962921178e+01 1.556784466e+01 2.958738908e+01 1.50 5.126438972e+01 2.673061615e+01 4.409649739e+01 5.125684931e+01 5.125523429e+01 9.244635796e+00 2.778763399e+01 4.621878574e+01 1.398072402e+01 2.731396168e+01 1.52 4.781836107e+01 2.457282412e+01 4.102917274e+01 4.781259900e+01 4.781171060e+01 8.099035341e+00 2.562693638e+01 4.303801492e+01 1.250026991e+01 2.517758895e+01 1.54 4.459115722e+01 2.255455913e+01 3.815933547e+01 4.458925614e+01 4.458993568e+01 7.053481310e+00 2.360460968e+01 4.006577542e+01 1.112145510e+01 2.316688490e+01 1.56 4.157454692e+01 2.066777539e+01 3.546988045e+01 4.157750778e+01 4.158019080e+01 6.101850418e+00 2.170957376e+01 3.728379859e+01 9.839987316e+00 2.127201082e+01 1.58 3.875012537e+01 1.890474727e+01 3.294661073e+01 3.875771280e+01 3.876242597e+01 5.238653845e+00 1.993141779e+01 3.467650460e+01 8.651924610e+00 1.948465895e+01 1.60 3.610189155e+01 1.725847124e+01 3.057764562e+01 3.611302148e+01 3.611943311e+01 4.458540683e+00 1.826095035e+01 3.223049349e+01 7.553301484e+00 1.779852398e+01 1.62 3.361602071e+01 1.572277364e+01 2.835299898e+01 3.362912198e+01 3.363656029e+01 3.756151812e+00 1.669056874e+01 2.993432118e+01 6.540279987e+00 1.620909703e+01 1.64 3.128058604e+01 1.429211865e+01 2.626460015e+01 3.129381836e+01 3.130129562e+01 3.126146639e+00 1.521398283e+01 2.777813520e+01 5.609157313e+00 1.471292483e+01 1.66 2.908544065e+01 1.296091957e+01 2.430575437e+01 2.909671517e+01 2.910298697e+01 2.563133968e+00 1.382578088e+01 2.575324490e+01 4.756116785e+00 1.330706258e+01 1.68 2.702154858e+01 1.172286338e+01 2.247004594e+01 2.702881949e+01 2.703255619e+01 2.061606525e+00 1.252101740e+01 2.385173682e+01 3.977296186e+00 1.198806149e+01 1.70 2.508070010e+01 1.057137978e+01 2.075083954e+01 2.508230064e+01 2.508231807e+01 1.616068001e+00 1.129493050e+01 2.206607294e+01 3.269016780e+00 1.075207651e+01 1.72 2.325537746e+01 9.500452926e+00 1.914129244e+01 2.325025527e+01 2.324575201e+01 1.220990325e+00 1.014336016e+01 2.038887388e+01 2.627606255e+00 9.595491729e+00 1.74 2.153858401e+01 8.504582471e+00 1.763484205e+01 2.152642579e+01 2.151709145e+01 8.707357577e-01 9.062631631e+00 1.881321685e+01 2.049102523e+00 8.514842606e+00 1.76 1.992379062e+01 7.578439736e+00 1.622536121e+01 1.990491272e+01 1.989090388e+01 5.597272847e-01 8.049268070e+00 1.733302671e+01 1.529309763e+00 7.506805924e+00 1.78 1.840490038e+01 6.716885149e+00 1.490712891e+01 1.838030071e+01 1.836224052e+01 2.828742312e-01 7.100079406e+00 1.594278813e+01 1.063983110e+00 6.568432350e+00 1.80 1.697621600e+01 5.915050875e+00 1.367452876e+01 1.694763856e+01 1.692657866e+01 3.570986687e-02 6.212248901e+00 1.463734479e+01 6.488181057e-01 5.697224807e+00 1.82 1.563241027e+01 5.168364034e+00 1.252158295e+01 1.560220912e+01 1.557952877e+01 -1.856651689e-01 5.383276431e+00 1.341175283e+01 2.794067162e-01 4.891080279e+00 1.84 1.436849878e+01 4.472684415e+00 1.144186766e+01 1.433940821e+01 1.431668980e+01 -3.846282528e-01 4.610851099e+00 1.226106465e+01 -4.877740229e-02 4.147947964e+00 1.86 1.317981516e+01 3.824510809e+00 1.042920509e+01 1.315457863e+01 1.313346644e+01 -5.640230233e-01 3.892835074e+00 1.118033895e+01 -3.401229837e-01 3.465696926e+00 1.88 1.206198732e+01 3.220769835e+00 9.477913491e+00 1.204285620e+01 1.202490447e+01 -7.262483703e-01 3.227300359e+00 1.016517031e+01 -5.986973094e-01 2.842113696e+00 1.90 1.101091867e+01 2.658539455e+00 8.582680322e+00 1.099931617e+01 1.098586160e+01 -8.734239739e-01 2.612426599e+00 9.211658120e+00 -8.281796207e-01 2.274767262e+00 1.92 1.002276631e+01 2.134957227e+00 7.738675209e+00 1.001933104e+01 1.001142065e+01 -1.007442853e+00 2.046368147e+00 8.316093767e+00 -1.031892293e+00 1.760813598e+00 1.94 9.093924453e+00 1.647364674e+00 6.941812262e+00 9.098650792e+00 9.096988845e+00 -1.130003291e+00 1.527237764e+00 7.475009556e+00 -1.212861388e+00 1.297123429e+00 1.96 8.221007993e+00 1.193396932e+00 6.188856552e+00 8.233339816e+00 8.238248865e+00 -1.242637541e+00 1.053222295e+00 6.685263428e+00 -1.373815902e+00 8.803954386e-01 1.98 7.400837138e+00 7.709383097e-01 5.477313438e+00 7.419804105e+00 7.431232509e+00 -1.346736475e+00 6.224960248e-01 5.943953783e+00 -1.517163562e+00 5.071432677e-01 2.00 6.630423708e+00 3.780564324e-01 4.805175884e+00 6.654838141e+00 6.672407612e+00 -1.443532743e+00 2.330010325e-01 5.248383330e+00 -1.645026388e+00 1.736714010e-01 2.02 5.906958164e+00 1.295239205e-02 4.170707012e+00 5.935510566e+00 5.958540064e+00 -1.534045550e+00 -1.176767164e-01 4.596011044e+00 -1.759346864e+00 -1.238708863e-01 2.04 5.227797640e+00 -3.259883427e-01 3.572359307e+00 5.259088032e+00 5.286615370e+00 -1.619084386e+00 -4.322281733e-01 3.984496589e+00 -1.861971959e+00 -3.892309440e-01 2.06 4.590455195e+00 -6.401928659e-01 3.008724608e+00 4.623021894e+00 4.653841319e+00 -1.699261988e+00 -7.133961460e-01 3.411658408e+00 -1.954686257e+00 -6.258968386e-01 2.08 3.992589344e+00 -9.309608831e-01 2.478477718e+00 4.024994843e+00 4.057721635e+00 -1.775008333e+00 -9.638959323e-01 2.875398593e+00 -2.039202150e+00 -8.371618620e-01 2.10 3.431994796e+00 -1.199490887e+00 1.980327715e+00 3.462922113e+00 3.496069946e+00 -1.846628780e+00 -1.186375916e+00 2.373672219e+00 -2.116984523e+00 -1.026108998e+00 2.12 2.906593683e+00 -1.446896765e+00 1.513051069e+00 2.934919817e+00 2.966984236e+00 -1.914363810e+00 -1.383387985e+00 1.904537772e+00 -2.189176859e+00 -1.195567142e+00 2.14 2.414427349e+00 -1.674219719e+00 1.075477827e+00 2.439227014e+00 2.468773031e+00 -1.978408359e+00 -1.557395321e+00 1.466244443e+00 -2.256652468e+00 -1.348069007e+00 2.16 1.953649114e+00 -1.882415786e+00 6.664524617e-01 1.974189124e+00 1.999941424e+00 -2.038921071e+00 -1.710769828e+00 1.057184629e+00 -2.320056951e+00 -1.485843590e+00 2.18 1.522516933e+00 -2.072342745e+00 2.847960153e-01 1.538300098e+00 1.559232595e+00 -2.096006196e+00 -1.845746983e+00 6.758041116e-01 -2.379854502e+00 -1.610890336e+00 2.20 1.119387083e+00 -2.244765980e+00 -7.071693052e-02 1.130168689e+00 1.145556779e+00 -2.149695405e+00 -1.964404608e+00 3.205635447e-01 -2.436364752e+00 -1.724998914e+00 2.22 7.427080814e-01 -2.400415516e+00 -4.012595313e-01 7.484523771e-01 7.578672918e-01 -2.199942764e+00 -2.068712566e+00 -1.009699768e-02 -2.489786715e+00 -1.829750613e+00 2.24 3.910150705e-01 -2.540070417e+00 -7.078411135e-01 3.918307282e-01 3.951146958e-01 -2.246619759e+00 -2.160568863e+00 -3.176604010e-01 -2.540220640e+00 -1.926522364e+00 2.26 6.292441207e-02 -2.664611886e+00 -9.912966310e-01 5.898949097e-02 5.621979279e-02 -2.289513961e+00 -2.241800017e+00 -6.034364752e-01 -2.587676853e+00 -2.016498181e+00 2.28 -2.428708403e-01 -2.775071687e+00 -1.252366508e+00 -2.513454767e-01 -2.598866284e-01 -2.328369257e+00 -2.314171998e+00 -8.686250641e-01 -2.632074323e+00 -2.100751335e+00 2.30 -5.276058665e-01 -2.872588421e+00 -1.491805209e+00 -5.403573775e-01 -5.542017588e-01 -2.362945384e+00 -2.379392035e+00 -1.114369038e+00 -2.673269973e+00 -2.180255865e+00 2.32 -7.924481704e-01 -2.958260771e+00 -1.710402782e+00 -8.091340254e-01 -8.276505788e-01 -2.393044121e+00 -2.438963235e+00 -1.341762556e+00 -2.711079881e+00 -2.255782675e+00 2.34 -1.038501577e+00 -3.033109933e+00 -1.908986273e+00 -1.058669129e+00 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