# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Pt-Ti # implementation = 2017--Kim-J-S--Pt-Ti--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 nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan 1.852209214e+03 nan nan nan nan 0.78 nan nan nan nan nan 1.725442713e+03 nan nan nan 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 nan nan nan nan 1.392997482e+03 nan nan 1.584594856e+03 nan 0.86 nan nan nan nan nan 1.296475845e+03 nan nan 1.466036735e+03 nan 0.88 nan 2.639144548e+03 nan nan nan 1.206348182e+03 1.762565332e+03 nan 1.356052920e+03 1.837203979e+03 0.90 nan 2.432838147e+03 nan nan nan 1.122204733e+03 1.637642828e+03 nan 1.254036573e+03 1.709952239e+03 0.92 nan 2.242105071e+03 nan nan nan 1.043661298e+03 1.521207768e+03 nan 1.159423133e+03 1.591137490e+03 0.94 nan 2.065799802e+03 nan nan nan 9.703576775e+02 1.412700880e+03 nan 1.071687408e+03 1.480218148e+03 0.96 nan 1.902859276e+03 2.083141990e+03 nan nan 9.019562059e+02 1.311598850e+03 nan 9.903408615e+02 1.376686477e+03 0.98 2.646633431e+03 1.752297062e+03 1.935912499e+03 2.646667896e+03 2.646702362e+03 8.381403783e+02 1.217412051e+03 2.464974354e+03 9.149290893e+02 1.280066525e+03 1.00 2.463305875e+03 1.613197944e+03 1.798676746e+03 2.463340176e+03 2.463374477e+03 7.786135541e+02 1.129682424e+03 2.290476944e+03 8.450294638e+02 1.189912174e+03 1.02 2.292178673e+03 1.484712871e+03 1.670776020e+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 1.983425624e+03 1.256491700e+03 1.440554087e+03 1.983459422e+03 1.983493220e+03 6.230736024e+02 9.010884967e+02 1.835081511e+03 6.646088207e+02 9.541915494e+02 1.08 1.844370604e+03 1.155347743e+03 1.337116879e+03 1.844404230e+03 1.844437857e+03 5.780925726e+02 8.351711021e+02 1.703539953e+03 6.130933511e+02 8.859735279e+02 1.10 1.714651694e+03 1.061994279e+03 1.240777840e+03 1.714685147e+03 1.714718600e+03 5.361751755e+02 7.738285150e+02 1.581022086e+03 5.653818119e+02 8.223778607e+02 1.12 1.593662031e+03 9.758489462e+02 1.151065084e+03 1.593695309e+03 1.593728587e+03 4.971208080e+02 7.167543038e+02 1.466928709e+03 5.212010792e+02 7.631027107e+02 1.14 1.480833135e+03 8.963718818e+02 1.067537307e+03 1.480866236e+03 1.480899338e+03 4.607416032e+02 6.636620022e+02 1.360699337e+03 4.802972663e+02 7.078653777e+02 1.16 1.375632543e+03 8.230626834e+02 9.897818490e+02 1.375665466e+03 1.375698389e+03 4.268616424e+02 6.142838378e+02 1.261809761e+03 4.424343888e+02 6.564011154e+02 1.18 1.277561579e+03 7.554575838e+02 9.174128739e+02 1.277594322e+03 1.277627065e+03 3.953162151e+02 5.683695406e+02 1.169769754e+03 4.073931206e+02 6.084620199e+02 1.20 1.186153265e+03 6.931268263e+02 8.500696644e+02 1.186185826e+03 1.186218386e+03 3.659511229e+02 5.256852254e+02 1.084120919e+03 3.749696349e+02 5.638159849e+02 1.22 1.100970349e+03 6.356722229e+02 7.874150221e+02 1.101002726e+03 1.101035103e+03 3.386220265e+02 4.860123442e+02 1.004434680e+03 3.449745264e+02 5.222457210e+02 1.24 1.021603466e+03 5.827248852e+02 7.291337681e+02 1.021635657e+03 1.021667848e+03 3.131938321e+02 4.491467044e+02 9.303103829e+02 3.172318059e+02 4.835478339e+02 1.26 9.476694000e+02 5.339431152e+02 6.749313383e+02 9.477014036e+02 9.477334071e+02 2.895401150e+02 4.148975493e+02 8.613735238e+02 2.915779652e+02 4.475319598e+02 1.28 8.788094582e+02 4.890104448e+02 6.245324651e+02 8.788412723e+02 8.788730863e+02 2.675425788e+02 3.830866949e+02 7.972740865e+02 2.678611060e+02 4.140199522e+02 1.30 8.146879380e+02 4.476338143e+02 5.776799421e+02 8.147195606e+02 8.147511833e+02 2.470905465e+02 3.535477217e+02 7.376849798e+02 2.459401290e+02 3.828451186e+02 1.32 7.549906926e+02 4.095418798e+02 5.341334670e+02 7.550221220e+02 7.550535514e+02 2.280804835e+02 3.261252177e+02 6.823005751e+02 2.256839781e+02 3.538515036e+02 1.34 6.994237825e+02 3.744834406e+02 4.936685564e+02 6.994550168e+02 6.994862511e+02 2.104155499e+02 3.006740685e+02 6.308353341e+02 2.069709385e+02 3.268932167e+02 1.36 6.477122099e+02 3.422259775e+02 4.560755298e+02 6.477432471e+02 6.477742843e+02 1.940051797e+02 2.770587924e+02 5.830225228e+02 1.896879815e+02 3.018338001e+02 1.38 5.995987290e+02 3.125542964e+02 4.211585564e+02 5.996295672e+02 5.996604054e+02 1.787646862e+02 2.551529179e+02 5.386130054e+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 4.745177099e+02 2.371360245e+02 3.306950420e+02 4.745479395e+02 4.745781691e+02 1.392961582e+02 1.985501385e+02 4.235535862e+02 1.328674684e+02 2.181536285e+02 1.46 4.385415456e+02 2.159597465e+02 3.047708890e+02 4.385715684e+02 4.386015912e+02 1.279933825e+02 1.823776896e+02 3.905797471e+02 1.213031525e+02 2.008323171e+02 1.48 4.051067922e+02 1.965120452e+02 2.807220427e+02 4.051366062e+02 4.051664202e+02 1.175130343e+02 1.673982568e+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 1.622734146e+02 2.377404513e+02 3.452145375e+02 3.452439280e+02 9.879756518e+01 1.406902671e+02 3.053159733e+02 9.176461343e+01 1.560180288e+02 1.54 3.183874663e+02 1.472427112e+02 2.185739067e+02 3.184166420e+02 3.184458176e+02 9.046047498e+01 1.288113204e+02 2.809335198e+02 8.342866587e+01 1.431976386e+02 1.56 2.935082332e+02 1.334595911e+02 2.008139765e+02 2.935371921e+02 2.935661509e+02 8.274141415e+01 1.178238968e+02 2.583390534e+02 7.575498914e+01 1.313162843e+02 1.58 2.704164079e+02 1.208257113e+02 1.843624717e+02 2.704451479e+02 2.704738879e+02 7.559744702e+01 1.076649327e+02 2.374076275e+02 6.869388573e+01 1.203091507e+02 1.60 2.489895910e+02 1.092502210e+02 1.691278212e+02 2.490181100e+02 2.490466291e+02 6.898849214e+01 9.827565189e+01 2.180227210e+02 6.219926847e+01 1.101157179e+02 1.62 2.291134704e+02 9.864920630e+01 1.550246387e+02 2.291417665e+02 2.291700626e+02 6.287713888e+01 8.960128331e+01 2.000756868e+02 5.622840399e+01 1.006794861e+02 1.64 2.106813036e+02 8.894517503e+01 1.419733164e+02 2.107093746e+02 2.107374456e+02 5.722847547e+01 8.159079632e+01 1.834652354e+02 5.074167410e+01 9.194771750e+01 1.66 1.935934306e+02 8.006657863e+01 1.298996450e+02 1.936212744e+02 1.936491183e+02 5.200992776e+01 7.419665323e+01 1.680969518e+02 4.570235369e+01 8.387119324e+01 1.68 1.777568185e+02 7.194736901e+01 1.187344583e+02 1.777844331e+02 1.778120477e+02 4.719110809e+01 6.737457767e+01 1.538828432e+02 4.107640438e+01 7.640398679e+01 1.70 1.630846343e+02 6.452658773e+01 1.084133002e+02 1.631120175e+02 1.631394007e+02 4.274367366e+01 6.108333804e+01 1.407409154e+02 3.683228256e+01 6.950325093e+01 1.72 1.494958442e+02 5.774798497e+01 9.887611368e+01 1.495229940e+02 1.495501437e+02 3.864119389e+01 5.528454494e+01 1.285947768e+02 3.294076089e+01 6.312901826e+01 1.74 1.369148390e+02 5.155966644e+01 9.006694952e+01 1.369417531e+02 1.369686672e+02 3.485902602e+01 4.994246167e+01 1.173732674e+02 2.937476244e+01 5.724401438e+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 7.442781276e+01 1.145252151e+02 1.145516514e+02 2.816530249e+01 4.049768970e+01 9.744359667e+01 2.312086465e+01 4.680501998e+01 1.80 1.045365704e+02 3.607609897e+01 6.750411515e+01 1.045627646e+02 1.045889589e+02 2.521238829e+01 3.633525321e+01 8.861626250e+01 2.038822848e+01 4.218842340e+01 1.82 9.532724271e+01 3.180612084e+01 6.112052874e+01 9.535319263e+01 9.537914256e+01 2.249687097e+01 3.250973131e+01 8.047462455e+01 1.789138477e+01 3.793554587e+01 1.84 8.681745615e+01 2.792163660e+01 5.523789223e+01 8.684315955e+01 8.686886295e+01 2.000144006e+01 2.899621256e+01 7.296890489e+01 1.561190080e+01 3.402016158e+01 1.86 7.895749190e+01 2.439079333e+01 4.981976026e+01 7.898294656e+01 7.900840122e+01 1.770997570e+01 2.577153382e+01 6.605278452e+01 1.353271731e+01 3.041783961e+01 1.88 7.170101451e+01 2.118424994e+01 4.483222126e+01 7.172621820e+01 7.175142188e+01 1.560747001e+01 2.281416206e+01 5.968317123e+01 1.163804905e+01 2.710582575e+01 1.90 6.500484943e+01 1.827498569e+01 4.024372723e+01 6.502979990e+01 6.505475038e+01 1.367995359e+01 2.010408387e+01 5.381998259e+01 9.913292446e+00 2.406293183e+01 1.92 5.882877494e+01 1.563812277e+01 3.602493456e+01 5.885346994e+01 5.887816495e+01 1.191442662e+01 1.762270238e+01 4.842594310e+01 8.344939795e+00 2.126943215e+01 1.94 5.313532718e+01 1.325076216e+01 3.214855532e+01 5.315976445e+01 5.318420172e+01 1.029879443e+01 1.535274074e+01 4.346639458e+01 6.920499562e+00 1.870696650e+01 1.96 4.788961773e+01 1.109183161e+01 2.858921823e+01 4.791379498e+01 4.793797223e+01 8.821807167e+00 1.327815217e+01 3.890911894e+01 5.628422327e+00 1.635844942e+01 1.98 4.305916287e+01 9.141945092e+00 2.532333883e+01 4.308307781e+01 4.310699274e+01 7.473003388e+00 1.138403581e+01 3.472417267e+01 4.458032043e+00 1.420798527e+01 2.00 3.861372390e+01 7.383272681e+00 2.232899818e+01 3.863737422e+01 3.866102453e+01 6.242657275e+00 9.656558233e+00 3.088373215e+01 3.399462169e+00 1.224078886e+01 2.02 3.452515769e+01 5.799420189e+00 1.958582956e+01 3.454854106e+01 3.457192443e+01 5.121729283e+00 8.082880170e+00 2.736194920e+01 2.443596396e+00 1.044311109e+01 2.04 3.076727680e+01 4.375317857e+00 1.707491261e+01 3.079039089e+01 3.081350498e+01 4.101819946e+00 6.651088012e+00 2.413481608e+01 1.582013587e+00 8.802169470e+00 2.06 2.731571870e+01 3.097117398e+00 1.477867448e+01 2.733856117e+01 2.736140363e+01 3.175126702e+00 5.350129953e+00 2.118003953e+01 8.069366590e-01 7.306083114e+00 2.08 2.414782348e+01 1.952096829e+00 1.268079757e+01 2.417039195e+01 2.419296042e+01 2.334403526e+00 4.169756362e+00 1.847692302e+01 1.111851444e-01 5.943811939e+00 2.10 2.124251943e+01 9.285724747e-01 1.076613334e+01 2.126481154e+01 2.128710364e+01 1.572923199e+00 3.100464160e+00 1.600625696e+01 -5.118688334e-01 4.705099862e+00 2.12 1.858021615e+01 1.581762065e-02 9.020621933e+00 1.860222950e+01 1.862424285e+01 8.844420461e-01 2.133444912e+00 1.375021614e+01 -1.068341431e+00 3.580421684e+00 2.14 1.614270450e+01 -7.960126412e-01 7.431217044e+00 1.616443669e+01 1.618616889e+01 2.631669550e-01 1.260536392e+00 1.169226397e+01 -1.563875015e+00 2.560933416e+00 2.16 1.391306315e+01 -1.515950859e+00 5.985815867e+00 1.393451177e+01 1.395596040e+01 -2.962754182e-01 4.741774167e-01 9.817063226e+00 -2.003673346e+00 1.638425880e+00 2.18 1.187557124e+01 -2.152281383e+00 4.673193723e+00 1.189673386e+01 1.191789648e+01 -7.988674229e-01 -2.326342806e-01 8.110392631e+00 -2.392534224e+00 8.052813490e-01 2.20 1.001562675e+01 -2.712599612e+00 3.482943077e+00 1.003650092e+01 1.005737509e+01 -1.249227285e+00 -8.663813184e-01 6.559069172e+00 -2.734879769e+00 5.443305491e-02 2.22 8.319670238e+00 -3.203866728e+00 2.405416624e+00 8.340253503e+00 8.360836769e+00 -1.651634209e+00 -1.433063292e+00 5.150875552e+00 -3.034784503e+00 -6.206726593e-01 2.24 6.775113573e+00 -3.632460208e+00 1.431674212e+00 6.795403462e+00 6.815693350e+00 -2.010051828e+00 -1.938230917e+00 3.874492547e+00 -3.296001411e+00 -1.226111687e+00 2.26 5.370273376e+00 -4.004220458e+00 5.534333418e-01 5.390267401e+00 5.410261426e+00 -2.328150080e+00 -2.387017842e+00 2.719435944e+00 -3.521986086e+00 -1.767515158e+00 2.28 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