# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Ni-Pt # implementation = 2017--Kim-J-S--Ni-Pt--LAMMPS--ipr1 # composition = Pt # 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 2.133007786e+03 nan nan nan nan 0.74 nan nan nan nan nan 1.987863637e+03 nan nan nan nan 0.76 nan nan nan nan nan 1.852209213e+03 nan nan 2.158368199e+03 nan 0.78 nan nan nan nan nan 1.725442713e+03 nan nan 1.998484764e+03 nan 0.80 nan nan nan nan nan 1.606999542e+03 nan nan 1.850091713e+03 nan 0.82 nan nan nan nan nan 1.496350064e+03 nan nan 1.712379520e+03 nan 0.84 nan 3.103509700e+03 nan nan nan 1.392997482e+03 2.040304148e+03 nan 1.584594856e+03 2.119367342e+03 0.86 nan 2.862258509e+03 nan nan nan 1.296475845e+03 1.896572914e+03 nan 1.466036735e+03 1.973470342e+03 0.88 nan 2.639144549e+03 nan nan nan 1.206348182e+03 1.762565332e+03 nan 1.356052920e+03 1.837203980e+03 0.90 nan 2.432838147e+03 nan nan nan 1.122204733e+03 1.637642829e+03 nan 1.254036573e+03 1.709952240e+03 0.92 nan 2.242105072e+03 2.410446245e+03 nan nan 1.043661299e+03 1.521207768e+03 3.068284104e+03 1.159423133e+03 1.591137490e+03 0.94 3.053305840e+03 2.065799802e+03 2.241069165e+03 3.053340630e+03 3.053375419e+03 9.703576775e+02 1.412700880e+03 2.852954938e+03 1.071687408e+03 1.480218148e+03 0.96 2.843001360e+03 1.902859276e+03 2.083141991e+03 2.843035989e+03 2.843070617e+03 9.019562059e+02 1.311598850e+03 2.652169509e+03 9.903408615e+02 1.376686478e+03 0.98 2.646633431e+03 1.752297062e+03 1.935912500e+03 2.646667897e+03 2.646702363e+03 8.381403786e+02 1.217412051e+03 2.464974355e+03 9.149290895e+02 1.280066525e+03 1.00 2.463305875e+03 1.613197944e+03 1.798676746e+03 2.463340177e+03 2.463374478e+03 7.786135543e+02 1.129682424e+03 2.290476944e+03 8.450294639e+02 1.189912175e+03 1.02 2.292178673e+03 1.484712871e+03 1.670776021e+03 2.292212808e+03 2.292246943e+03 7.230977392e+02 1.047981484e+03 2.127841871e+03 7.802489405e+02 1.105805323e+03 1.04 2.132464527e+03 1.366054275e+03 1.551594002e+03 2.132498494e+03 2.132532461e+03 6.713324429e+02 9.719084512e+02 1.976287280e+03 7.202220154e+02 1.027354158e+03 1.06 1.983425625e+03 1.256491700e+03 1.440554087e+03 1.983459422e+03 1.983493220e+03 6.230736025e+02 9.010884968e+02 1.835081511e+03 6.646088207e+02 9.541915495e+02 1.08 1.844370604e+03 1.155347743e+03 1.337116879e+03 1.844404231e+03 1.844437857e+03 5.780925727e+02 8.351711022e+02 1.703539953e+03 6.130933512e+02 8.859735281e+02 1.10 1.714651694e+03 1.061994279e+03 1.240777840e+03 1.714685147e+03 1.714718601e+03 5.361751756e+02 7.738285150e+02 1.581022086e+03 5.653818119e+02 8.223778608e+02 1.12 1.593662030e+03 9.758489463e+02 1.151065084e+03 1.593695309e+03 1.593728587e+03 4.971208080e+02 7.167543038e+02 1.466928709e+03 5.212010791e+02 7.631027106e+02 1.14 1.480833135e+03 8.963718819e+02 1.067537307e+03 1.480866236e+03 1.480899338e+03 4.607416031e+02 6.636620021e+02 1.360699337e+03 4.802972663e+02 7.078653776e+02 1.16 1.375632543e+03 8.230626835e+02 9.897818491e+02 1.375665466e+03 1.375698389e+03 4.268616424e+02 6.142838378e+02 1.261809762e+03 4.424343889e+02 6.564011154e+02 1.18 1.277561580e+03 7.554575838e+02 9.174128740e+02 1.277594323e+03 1.277627066e+03 3.953162151e+02 5.683695407e+02 1.169769754e+03 4.073931206e+02 6.084620200e+02 1.20 1.186153265e+03 6.931268263e+02 8.500696644e+02 1.186185825e+03 1.186218386e+03 3.659511228e+02 5.256852254e+02 1.084120919e+03 3.749696349e+02 5.638159849e+02 1.22 1.100970348e+03 6.356722229e+02 7.874150219e+02 1.101002725e+03 1.101035102e+03 3.386220264e+02 4.860123440e+02 1.004434680e+03 3.449745264e+02 5.222457208e+02 1.24 1.021603465e+03 5.827248853e+02 7.291337680e+02 1.021635657e+03 1.021667848e+03 3.131938320e+02 4.491467044e+02 9.303103828e+02 3.172318059e+02 4.835478338e+02 1.26 9.476694001e+02 5.339431152e+02 6.749313384e+02 9.477014036e+02 9.477334071e+02 2.895401150e+02 4.148975493e+02 8.613735237e+02 2.915779652e+02 4.475319598e+02 1.28 8.788094583e+02 4.890104448e+02 6.245324651e+02 8.788412723e+02 8.788730864e+02 2.675425788e+02 3.830866949e+02 7.972740864e+02 2.678611060e+02 4.140199523e+02 1.30 8.146879379e+02 4.476338143e+02 5.776799421e+02 8.147195606e+02 8.147511833e+02 2.470905464e+02 3.535477217e+02 7.376849798e+02 2.459401289e+02 3.828451186e+02 1.32 7.549906924e+02 4.095418799e+02 5.341334669e+02 7.550221218e+02 7.550535513e+02 2.280804834e+02 3.261252177e+02 6.823005751e+02 2.256839781e+02 3.538515036e+02 1.34 6.994237825e+02 3.744834405e+02 4.936685564e+02 6.994550168e+02 6.994862511e+02 2.104155499e+02 3.006740685e+02 6.308353342e+02 2.069709385e+02 3.268932167e+02 1.36 6.477122100e+02 3.422259775e+02 4.560755299e+02 6.477432472e+02 6.477742844e+02 1.940051798e+02 2.770587924e+02 5.830225229e+02 1.896879815e+02 3.018338002e+02 1.38 5.995987291e+02 3.125542964e+02 4.211585565e+02 5.996295673e+02 5.996604055e+02 1.787646862e+02 2.551529179e+02 5.386130055e+02 1.737301554e+02 2.785456362e+02 1.40 5.548427307e+02 2.852692673e+02 3.887347628e+02 5.548733680e+02 5.549040053e+02 1.646148908e+02 2.348383997e+02 4.973741140e+02 1.590000188e+02 2.569093903e+02 1.42 5.132191954e+02 2.601866535e+02 3.586333963e+02 5.132496298e+02 5.132800642e+02 1.514817759e+02 2.160050723e+02 4.590885889e+02 1.454071125e+02 2.368134888e+02 1.44 4.745177100e+02 2.371360245e+02 3.306950421e+02 4.745479396e+02 4.745781692e+02 1.392961582e+02 1.985501385e+02 4.235535862e+02 1.328674685e+02 2.181536286e+02 1.46 4.385415457e+02 2.159597465e+02 3.047708891e+02 4.385715685e+02 4.386015913e+02 1.279933825e+02 1.823776897e+02 3.905797472e+02 1.213031525e+02 2.008323172e+02 1.48 4.051067923e+02 1.965120452e+02 2.807220428e+02 4.051366063e+02 4.051664203e+02 1.175130343e+02 1.673982569e+02 3.599903262e+02 1.106418392e+02 1.847584409e+02 1.50 3.740415459e+02 1.786581357e+02 2.584188809e+02 3.740711491e+02 3.741007523e+02 1.077986703e+02 1.535283905e+02 3.316203742e+02 1.008164156e+02 1.698468601e+02 1.52 3.451851471e+02 1.622734147e+02 2.377404513e+02 3.452145376e+02 3.452439280e+02 9.879756518e+01 1.406902671e+02 3.053159733e+02 9.176461343e+01 1.560180288e+02 1.54 3.183874664e+02 1.472427113e+02 2.185739068e+02 3.184166420e+02 3.184458177e+02 9.046047501e+01 1.288113204e+02 2.809335199e+02 8.342866589e+01 1.431976386e+02 1.56 2.935082333e+02 1.334595912e+02 2.008139766e+02 2.935371922e+02 2.935661510e+02 8.274141418e+01 1.178238969e+02 2.583390535e+02 7.575498917e+01 1.313162844e+02 1.58 2.704164080e+02 1.208257113e+02 1.843624717e+02 2.704451479e+02 2.704738879e+02 7.559744703e+01 1.076649327e+02 2.374076276e+02 6.869388574e+01 1.203091507e+02 1.60 2.489895909e+02 1.092502210e+02 1.691278212e+02 2.490181100e+02 2.490466290e+02 6.898849213e+01 9.827565189e+01 2.180227211e+02 6.219926846e+01 1.101157178e+02 1.62 2.291134704e+02 9.864920630e+01 1.550246387e+02 2.291417665e+02 2.291700626e+02 6.287713888e+01 8.960128332e+01 2.000756868e+02 5.622840399e+01 1.006794861e+02 1.64 2.106813036e+02 8.894517504e+01 1.419733164e+02 2.107093746e+02 2.107374456e+02 5.722847548e+01 8.159079634e+01 1.834652354e+02 5.074167410e+01 9.194771751e+01 1.66 1.935934306e+02 8.006657864e+01 1.298996450e+02 1.936212745e+02 1.936491183e+02 5.200992777e+01 7.419665324e+01 1.680969518e+02 4.570235369e+01 8.387119325e+01 1.68 1.777568185e+02 7.194736900e+01 1.187344582e+02 1.777844331e+02 1.778120477e+02 4.719110808e+01 6.737457766e+01 1.538828432e+02 4.107640438e+01 7.640398678e+01 1.70 1.630846342e+02 6.452658772e+01 1.084133001e+02 1.631120175e+02 1.631394007e+02 4.274367365e+01 6.108333803e+01 1.407409154e+02 3.683228254e+01 6.950325090e+01 1.72 1.494958442e+02 5.774798496e+01 9.887611367e+01 1.495229939e+02 1.495501437e+02 3.864119388e+01 5.528454494e+01 1.285947768e+02 3.294076088e+01 6.312901826e+01 1.74 1.369148390e+02 5.155966646e+01 9.006694953e+01 1.369417531e+02 1.369686672e+02 3.485902602e+01 4.994246168e+01 1.173732674e+02 2.937476245e+01 5.724401439e+01 1.76 1.252710818e+02 4.591376611e+01 8.193369373e+01 1.252977581e+02 1.253244344e+02 3.137419864e+01 4.502382705e+01 1.070101123e+02 2.610920641e+01 5.181348263e+01 1.78 1.144987787e+02 4.076614275e+01 7.442781274e+01 1.145252150e+02 1.145516514e+02 2.816530248e+01 4.049768969e+01 9.744359667e+01 2.312086464e+01 4.680501997e+01 1.80 1.045365703e+02 3.607609897e+01 6.750411513e+01 1.045627646e+02 1.045889588e+02 2.521238828e+01 3.633525320e+01 8.861626250e+01 2.038822848e+01 4.218842339e+01 1.82 9.532724272e+01 3.180612084e+01 6.112052875e+01 9.535319264e+01 9.537914257e+01 2.249687097e+01 3.250973131e+01 8.047462457e+01 1.789138477e+01 3.793554587e+01 1.84 8.681745617e+01 2.792163661e+01 5.523789224e+01 8.684315957e+01 8.686886297e+01 2.000144007e+01 2.899621257e+01 7.296890490e+01 1.561190080e+01 3.402016158e+01 1.86 7.895749191e+01 2.439079333e+01 4.981976026e+01 7.898294657e+01 7.900840123e+01 1.770997570e+01 2.577153382e+01 6.605278451e+01 1.353271731e+01 3.041783961e+01 1.88 7.170101450e+01 2.118424994e+01 4.483222126e+01 7.172621819e+01 7.175142187e+01 1.560747001e+01 2.281416205e+01 5.968317121e+01 1.163804905e+01 2.710582574e+01 1.90 6.500484943e+01 1.827498569e+01 4.024372723e+01 6.502979990e+01 6.505475038e+01 1.367995359e+01 2.010408388e+01 5.381998258e+01 9.913292447e+00 2.406293183e+01 1.92 5.882877496e+01 1.563812278e+01 3.602493458e+01 5.885346996e+01 5.887816497e+01 1.191442663e+01 1.762270239e+01 4.842594311e+01 8.344939801e+00 2.126943216e+01 1.94 5.313532720e+01 1.325076216e+01 3.214855533e+01 5.315976447e+01 5.318420174e+01 1.029879444e+01 1.535274075e+01 4.346639460e+01 6.920499568e+00 1.870696651e+01 1.96 4.788961774e+01 1.109183161e+01 2.858921824e+01 4.791379499e+01 4.793797224e+01 8.821807171e+00 1.327815217e+01 3.890911895e+01 5.628422331e+00 1.635844942e+01 1.98 4.305916287e+01 9.141945095e+00 2.532333883e+01 4.308307781e+01 4.310699274e+01 7.473003388e+00 1.138403581e+01 3.472417267e+01 4.458032044e+00 1.420798527e+01 2.00 3.861372391e+01 7.383272685e+00 2.232899819e+01 3.863737423e+01 3.866102454e+01 6.242657279e+00 9.656558236e+00 3.088373216e+01 3.399462171e+00 1.224078886e+01 2.02 3.452515771e+01 5.799420193e+00 1.958582958e+01 3.454854108e+01 3.457192445e+01 5.121729289e+00 8.082880177e+00 2.736194920e+01 2.443596401e+00 1.044311110e+01 2.04 3.076727681e+01 4.375317857e+00 1.707491262e+01 3.079039090e+01 3.081350499e+01 4.101819951e+00 6.651088018e+00 2.413481609e+01 1.582013591e+00 8.802169477e+00 2.06 2.731571870e+01 3.097117397e+00 1.477867448e+01 2.733856117e+01 2.736140363e+01 3.175126702e+00 5.350129953e+00 2.118003953e+01 8.069366592e-01 7.306083115e+00 2.08 2.414782347e+01 1.952096831e+00 1.268079757e+01 2.417039195e+01 2.419296042e+01 2.334403524e+00 4.169756360e+00 1.847692301e+01 1.111851440e-01 5.943811937e+00 2.10 2.124251943e+01 9.285724752e-01 1.076613334e+01 2.126481154e+01 2.128710365e+01 1.572923201e+00 3.100464162e+00 1.600625696e+01 -5.118688322e-01 4.705099864e+00 2.12 1.858021615e+01 1.581762104e-02 9.020621938e+00 1.860222951e+01 1.862424286e+01 8.844420486e-01 2.133444914e+00 1.375021614e+01 -1.068341430e+00 3.580421688e+00 2.14 1.614270450e+01 -7.960126420e-01 7.431217045e+00 1.616443669e+01 1.618616889e+01 2.631669555e-01 1.260536392e+00 1.169226397e+01 -1.563875015e+00 2.560933417e+00 2.16 1.391306314e+01 -1.515950859e+00 5.985815862e+00 1.393451177e+01 1.395596039e+01 -2.962754205e-01 4.741774142e-01 9.817063227e+00 -2.003673348e+00 1.638425876e+00 2.18 1.187557123e+01 -2.152281383e+00 4.673193719e+00 1.189673385e+01 1.191789647e+01 -7.988674249e-01 -2.326342826e-01 8.110392635e+00 -2.392534226e+00 8.052813460e-01 2.20 1.001562675e+01 -2.712599612e+00 3.482943077e+00 1.003650092e+01 1.005737509e+01 -1.249227284e+00 -8.663813188e-01 6.559069177e+00 -2.734879769e+00 5.443305525e-02 2.22 8.319670240e+00 -3.203866729e+00 2.405416625e+00 8.340253506e+00 8.360836771e+00 -1.651634208e+00 -1.433063292e+00 5.150875555e+00 -3.034784503e+00 -6.206726582e-01 2.24 6.775113571e+00 -3.632460207e+00 1.431674210e+00 6.795403459e+00 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