# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Norman-G-E-Starikov-S-V-Stegailov-V-V--Au # implementation = 2012--Norman-G-E--Au--LAMMPS--ipr1 # composition = Au # 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 5.879689056e+02 nan 0.74 nan nan nan nan nan nan nan nan 5.336040495e+02 nan 0.76 nan nan nan nan nan nan nan nan 4.863701493e+02 nan 0.78 nan nan nan nan nan 3.891457698e+02 nan nan 4.455519222e+02 nan 0.80 nan nan nan nan nan 3.658643582e+02 nan nan 4.104066343e+02 nan 0.82 nan nan nan nan nan 3.465648390e+02 nan nan 3.803828103e+02 nan 0.84 nan nan nan nan nan 3.271039910e+02 nan nan 3.530857872e+02 nan 0.86 nan nan nan nan nan 3.050790645e+02 nan nan 3.289056522e+02 nan 0.88 nan nan nan 6.170633569e+02 6.182279782e+02 2.856620010e+02 nan nan 3.081735417e+02 4.116956586e+02 0.90 nan 4.032712086e+02 nan 5.819324788e+02 5.818561065e+02 2.684438422e+02 3.871383832e+02 nan 2.890997842e+02 3.849585408e+02 0.92 nan 3.722218361e+02 nan 5.515231310e+02 5.501412219e+02 2.530998014e+02 3.596706363e+02 nan 2.720295074e+02 3.621612088e+02 0.94 nan 3.429345284e+02 nan 5.109275824e+02 5.102213353e+02 2.393536239e+02 3.358454097e+02 nan 2.572643137e+02 3.373449546e+02 0.96 nan 3.165130114e+02 nan 4.740720027e+02 4.739660984e+02 2.270354990e+02 3.153499226e+02 nan 2.444605600e+02 3.155310646e+02 0.98 nan 2.926959773e+02 nan 4.405137151e+02 4.407790916e+02 2.144846295e+02 2.968337118e+02 4.105530105e+02 2.328958088e+02 2.964024206e+02 1.00 4.095676999e+02 2.712500123e+02 3.735142605e+02 4.096078361e+02 4.096544380e+02 1.971226558e+02 2.794148753e+02 3.821449147e+02 2.193763904e+02 2.796826453e+02 1.02 3.818273927e+02 2.519802160e+02 3.458527057e+02 3.815846078e+02 3.814136920e+02 1.810155759e+02 2.643696750e+02 3.563972604e+02 2.071758089e+02 2.650179885e+02 1.04 3.566041211e+02 2.347475817e+02 3.209708157e+02 3.562083560e+02 3.559122652e+02 1.661130851e+02 2.513789323e+02 3.330566166e+02 1.961675688e+02 2.520685980e+02 1.06 3.336259299e+02 2.195004735e+02 2.985602376e+02 3.332378994e+02 3.329185201e+02 1.523300924e+02 2.401114201e+02 3.119578896e+02 1.862438922e+02 2.406233054e+02 1.08 3.127837752e+02 2.061342657e+02 2.783663222e+02 3.125062662e+02 3.122349070e+02 1.395814118e+02 2.302840050e+02 2.919745852e+02 1.749639376e+02 2.305270325e+02 1.10 2.940355308e+02 1.945082673e+02 2.602291960e+02 2.938985588e+02 2.937196406e+02 1.278359591e+02 2.191932169e+02 2.739642369e+02 1.634410818e+02 2.216306044e+02 1.12 2.773280142e+02 1.844377923e+02 2.439857013e+02 2.773299514e+02 2.772513771e+02 1.170739206e+02 2.070473639e+02 2.579911747e+02 1.527821383e+02 2.138565145e+02 1.14 2.604355036e+02 1.757531948e+02 2.295138610e+02 2.605166226e+02 2.605117603e+02 1.072739103e+02 1.958615590e+02 2.424722868e+02 1.429120301e+02 2.027562534e+02 1.16 2.442855158e+02 1.682673642e+02 2.166787105e+02 2.443670194e+02 2.443984740e+02 9.841271187e+01 1.855871634e+02 2.279118433e+02 1.337725228e+02 1.903681866e+02 1.18 2.297929316e+02 1.618342762e+02 2.053214815e+02 2.298424339e+02 2.298884290e+02 9.045401723e+01 1.761843585e+02 2.148815228e+02 1.253319892e+02 1.788754112e+02 1.20 2.167936416e+02 1.563153967e+02 1.953272013e+02 2.167926493e+02 2.168318169e+02 8.335375072e+01 1.676051870e+02 2.032175933e+02 1.175677986e+02 1.681594718e+02 1.22 2.051176473e+02 1.515745269e+02 1.865726270e+02 2.050693064e+02 2.050886872e+02 7.705744767e+01 1.597763593e+02 1.927739897e+02 1.104562569e+02 1.581145822e+02 1.24 1.946299659e+02 1.475105920e+02 1.788951746e+02 1.945471254e+02 1.945435103e+02 7.147423369e+01 1.526185664e+02 1.834160789e+02 1.039648201e+02 1.486908265e+02 1.26 1.852074209e+02 1.440172719e+02 1.721619495e+02 1.851180827e+02 1.850964563e+02 6.652415385e+01 1.460646852e+02 1.750292982e+02 9.806214766e+01 1.398592560e+02 1.28 1.767362683e+02 1.410178269e+02 1.662777772e+02 1.766712603e+02 1.766382545e+02 6.214919508e+01 1.395560570e+02 1.675073678e+02 9.271519393e+01 1.315978504e+02 1.30 1.691213310e+02 1.384920862e+02 1.611632074e+02 1.691006042e+02 1.690632972e+02 5.830142332e+01 1.321062871e+02 1.607629480e+02 8.757610709e+01 1.238939886e+02 1.32 1.622890654e+02 1.335347407e+02 1.567262893e+02 1.623100966e+02 1.622768571e+02 5.494079206e+01 1.251584388e+02 1.547226125e+02 8.183473915e+01 1.167395905e+02 1.34 1.561521997e+02 1.287704866e+02 1.528737761e+02 1.562070625e+02 1.561892481e+02 5.201600602e+01 1.187059120e+02 1.493135315e+02 7.657687166e+01 1.101183925e+02 1.36 1.506327200e+02 1.242913104e+02 1.495265354e+02 1.507166156e+02 1.507267923e+02 4.947288144e+01 1.127465414e+02 1.444880823e+02 7.176379925e+01 1.040123047e+02 1.38 1.457026891e+02 1.200832861e+02 1.466473997e+02 1.458003110e+02 1.458422184e+02 4.726707364e+01 1.072490098e+02 1.402099879e+02 6.735923969e+01 9.843116908e+01 1.40 1.413368018e+02 1.161218900e+02 1.414420603e+02 1.414273911e+02 1.414939305e+02 4.535128987e+01 1.021815495e+02 1.364444144e+02 6.331858331e+01 9.338503375e+01 1.42 1.374858246e+02 1.123772766e+02 1.365823251e+02 1.375508685e+02 1.376270698e+02 4.367956327e+01 9.751786736e+01 1.331384120e+02 5.960881544e+01 8.884370097e+01 1.44 1.340879775e+02 1.069101708e+02 1.320346097e+02 1.341227138e+02 1.341971854e+02 4.221724798e+01 9.323357172e+01 1.302339657e+02 5.620622868e+01 8.476282022e+01 1.46 1.310944670e+02 1.009361160e+02 1.277646394e+02 1.311018247e+02 1.311639905e+02 4.094083155e+01 8.929854803e+01 1.276889050e+02 5.308743442e+01 8.110150379e+01 1.48 1.284760783e+02 9.516307345e+01 1.237457883e+02 1.284533524e+02 1.284936338e+02 3.982934674e+01 8.568325190e+01 1.254598510e+02 5.023107267e+01 7.782151631e+01 1.50 1.261831093e+02 8.958399923e+01 1.199624334e+02 1.261384495e+02 1.261538708e+02 3.886430591e+01 8.237102621e+01 1.234993810e+02 4.761733813e+01 7.488113523e+01 1.52 1.241639197e+02 8.419615121e+01 1.163896702e+02 1.241117828e+02 1.241046095e+02 3.802464069e+01 7.858827905e+01 1.217697294e+02 4.523051750e+01 7.225620425e+01 1.54 1.223751842e+02 7.900641187e+01 1.130062500e+02 1.223350485e+02 1.223113301e+02 3.729037796e+01 7.497425159e+01 1.202366823e+02 4.305513544e+01 6.991992067e+01 1.56 1.207809616e+02 7.403292461e+01 1.098056962e+02 1.207691614e+02 1.207375772e+02 3.665261047e+01 7.161085102e+01 1.166190935e+02 4.107072751e+01 6.784120907e+01 1.58 1.193788809e+02 6.928682680e+01 1.067766496e+02 1.193924352e+02 1.193606339e+02 3.609645598e+01 6.848655298e+01 1.121931260e+02 3.926248944e+01 6.599909650e+01 1.60 1.166282675e+02 6.458419552e+01 1.028897120e+02 1.166579329e+02 1.166316085e+02 3.509688306e+01 6.507694171e+01 1.074214830e+02 3.724288865e+01 6.360695759e+01 1.62 1.108322644e+02 5.971680638e+01 9.702005733e+01 1.108705836e+02 1.108534379e+02 3.308236194e+01 6.080733902e+01 1.017348625e+02 3.458160996e+01 5.980306057e+01 1.64 1.051821227e+02 5.507873116e+01 9.131065620e+01 1.052170955e+02 1.052089818e+02 3.111269963e+01 5.673926779e+01 9.618964656e+01 3.206328292e+01 5.616934753e+01 1.66 9.967352869e+01 5.066351799e+01 8.578485490e+01 9.969775261e+01 9.969834071e+01 2.919140529e+01 5.287415491e+01 9.077752385e+01 2.967873316e+01 5.269050825e+01 1.68 9.429479186e+01 4.647128334e+01 8.045643375e+01 9.430824850e+01 9.431814655e+01 2.732192867e+01 4.920413645e+01 8.549734370e+01 2.742040461e+01 4.935479120e+01 1.70 8.903891303e+01 4.250754344e+01 7.533221921e+01 8.904593147e+01 8.906551184e+01 2.550543132e+01 4.572047064e+01 8.034935953e+01 2.527904612e+01 4.615643990e+01 1.72 8.390688913e+01 3.877669030e+01 7.041498858e+01 8.391090440e+01 8.393942535e+01 2.374339698e+01 4.241338132e+01 7.533792379e+01 2.324611571e+01 4.309582799e+01 1.74 7.889997744e+01 3.528177244e+01 6.570214419e+01 7.890339889e+01 7.893899618e+01 2.204035296e+01 3.927184180e+01 7.046819407e+01 2.131615438e+01 4.016598831e+01 1.76 7.402063929e+01 3.202424435e+01 6.118524109e+01 7.402677136e+01 7.406661802e+01 2.039543931e+01 3.628644429e+01 6.574608324e+01 1.948558632e+01 3.735803280e+01 1.78 6.927394097e+01 2.899962428e+01 5.685762393e+01 6.928653370e+01 6.932719079e+01 1.880623473e+01 3.345023426e+01 6.118226054e+01 1.775083421e+01 3.466501038e+01 1.80 6.467424188e+01 2.619672873e+01 5.271441525e+01 6.469162686e+01 6.472895699e+01 1.727053572e+01 3.075534981e+01 5.678854701e+01 1.610815188e+01 3.208752834e+01 1.82 6.023050555e+01 2.360272251e+01 4.875274124e+01 6.025150470e+01 6.028328456e+01 1.578705383e+01 2.819509578e+01 5.257234827e+01 1.455320046e+01 2.962041460e+01 1.84 5.595075770e+01 2.120733975e+01 4.497150765e+01 5.597509154e+01 5.600092553e+01 1.435527278e+01 2.576766323e+01 4.854241851e+01 1.308227491e+01 2.725755171e+01 1.86 5.184192498e+01 1.899764036e+01 4.136969151e+01 5.186865351e+01 5.188803806e+01 1.297471555e+01 2.346888556e+01 4.470393034e+01 1.169084285e+01 2.499369030e+01 1.88 4.791042234e+01 1.695957943e+01 3.795035583e+01 4.793765884e+01 4.795004794e+01 1.164715690e+01 2.129531434e+01 4.106449614e+01 1.037471421e+01 2.282921173e+01 1.90 4.416694269e+01 1.507930879e+01 3.472275295e+01 4.418944780e+01 4.419358008e+01 1.037818392e+01 1.924765130e+01 3.763171909e+01 9.132135543e+00 2.076931540e+01 1.92 4.061481778e+01 1.334291349e+01 3.168747868e+01 4.062798029e+01 4.062309722e+01 9.170283617e+00 1.732490921e+01 3.440744254e+01 7.961647919e+00 1.881360196e+01 1.94 3.725905974e+01 1.173969054e+01 2.884393987e+01 3.725925759e+01 3.724532502e+01 8.025788672e+00 1.552673368e+01 3.138695492e+01 6.862423020e+00 1.696504564e+01 1.96 3.410503638e+01 1.026006627e+01 2.619041800e+01 3.409200104e+01 3.406973488e+01 6.946480988e+00 1.385146395e+01 2.856462855e+01 5.835665309e+00 1.522730727e+01 1.98 3.115377606e+01 8.894512219e+00 2.372092455e+01 3.112959424e+01 3.110045732e+01 5.933755212e+00 1.229713719e+01 2.593305023e+01 4.880841060e+00 1.360189628e+01 2.00 2.839617110e+01 7.635635767e+00 2.142743339e+01 2.836309922e+01 2.832878179e+01 4.994739550e+00 1.085849868e+01 2.348165503e+01 3.994499479e+00 1.208684337e+01 2.02 2.582106884e+01 6.475738485e+00 1.930018583e+01 2.578171661e+01 2.574435749e+01 4.133325391e+00 9.527356578e+00 2.119934092e+01 3.172494173e+00 1.067695228e+01 2.04 2.341743184e+01 5.406049347e+00 1.732838483e+01 2.337492292e+01 2.333720665e+01 3.346323644e+00 8.295331811e+00 1.907559877e+01 2.410915496e+00 9.365561054e+00 2.06 2.117603472e+01 4.420070403e+00 1.550341076e+01 2.113357574e+01 2.109830003e+01 2.629119752e+00 7.154256644e+00 1.710414249e+01 1.709862708e+00 8.147809722e+00 2.08 1.908780682e+01 3.512532748e+00 1.381688690e+01 1.904875397e+01 1.901841202e+01 1.977102682e+00 6.097472078e+00 1.527676521e+01 1.070994399e+00 7.018997573e+00 2.10 1.714340560e+01 2.680078712e+00 1.226036015e+01 1.711206561e+01 1.708871728e+01 1.385728822e+00 5.118521387e+00 1.358642230e+01 4.932882700e-01 5.974290508e+00 2.12 1.533382970e+01 1.920183879e+00 1.082548251e+01 1.531422892e+01 1.529948749e+01 8.504473448e-01 4.211829935e+00 1.202647075e+01 -2.605489253e-02 5.008724861e+00 2.14 1.365973417e+01 1.228621620e+00 9.503600835e+00 1.365194181e+01 1.364576767e+01 3.665963783e-01 3.371895685e+00 1.059090241e+01 -4.910205132e-01 4.117338449e+00 2.16 1.211624823e+01 6.004156998e-01 8.285822411e+00 1.211845309e+01 1.211984979e+01 -7.041562959e-02 2.592896401e+00 9.270800488e+00 -9.065798069e-01 3.295304378e+00 2.18 1.069531526e+01 3.025601466e-02 7.164680553e+00 1.070544458e+01 1.071324608e+01 -4.649775131e-01 1.870225188e+00 8.057276224e+00 -1.277022583e+00 2.538364785e+00 2.20 9.388764844e+00 -4.872881895e-01 6.135646969e+00 9.405346139e+00 9.419081248e+00 -8.212975399e-01 1.201138726e+00 6.941431382e+00 -1.606203719e+00 1.842365262e+00 2.22 8.187605859e+00 -9.572321157e-01 5.189781262e+00 8.208975521e+00 8.228076514e+00 -1.143300468e+00 5.832271148e-01 5.914293746e+00 -1.898233374e+00 1.202163305e+00 2.24 7.082810009e+00 -1.383628426e+00 4.320239261e+00 7.107731709e+00 7.131547860e+00 -1.433633641e+00 1.598476924e-02 4.967132316e+00 -2.156969586e+00 6.147480393e-01 2.26 6.065347837e+00 -1.769027335e+00 3.522044268e+00 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