# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ag # implementation = 2004--Zhou-X-W--Ag--LAMMPS--ipr1 # composition = Ag # 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 9.202339250e+02 nan 0.82 nan nan nan nan nan nan nan nan 8.343389652e+02 nan 0.84 nan nan nan nan nan nan nan nan 7.573407055e+02 nan 0.86 nan nan nan nan nan 5.954852435e+02 nan nan 6.881942881e+02 nan 0.88 nan nan nan nan nan 5.423708967e+02 nan nan 6.259912868e+02 nan 0.90 nan nan nan nan nan 4.945145989e+02 nan nan 5.699401062e+02 nan 0.92 nan nan nan nan nan 4.513320969e+02 nan nan 5.193513787e+02 nan 0.94 nan nan nan nan nan 4.123096837e+02 nan nan 4.736265764e+02 nan 0.96 nan nan nan nan nan 3.769936177e+02 nan nan 4.322443191e+02 nan 0.98 nan nan nan 9.293655152e+02 9.293755982e+02 3.449834165e+02 nan nan 3.947474235e+02 5.888377939e+02 1.00 nan 5.281480190e+02 nan 8.564791491e+02 8.564870296e+02 3.159279417e+02 5.454878041e+02 nan 3.607327290e+02 5.403461748e+02 1.02 nan 4.841606526e+02 nan 7.898508756e+02 7.898609804e+02 2.895190616e+02 5.006522788e+02 nan 3.298426623e+02 4.961536494e+02 1.04 nan 4.440623220e+02 nan 7.288726513e+02 7.288881847e+02 2.654868341e+02 4.597580768e+02 nan 3.017600850e+02 4.558381388e+02 1.06 nan 4.074733086e+02 nan 6.730011255e+02 6.730228500e+02 2.435938802e+02 4.224156970e+02 nan 2.762038487e+02 4.190275577e+02 1.08 nan 3.740574062e+02 nan 6.217534927e+02 6.217796544e+02 2.236316225e+02 3.882842239e+02 nan 2.529246496e+02 3.853887323e+02 1.10 nan 3.435135503e+02 5.079023072e+02 5.747006915e+02 5.747277670e+02 2.054146097e+02 3.570626594e+02 5.277618841e+02 2.317007161e+02 3.546197038e+02 1.12 5.314353526e+02 3.155714499e+02 4.689629460e+02 5.314611756e+02 5.314853859e+02 1.887765157e+02 3.284819147e+02 4.875521737e+02 2.123340934e+02 3.264478564e+02 1.14 4.916809930e+02 2.899881656e+02 4.331963947e+02 4.916926958e+02 4.917114348e+02 1.735662052e+02 3.022983949e+02 4.505973905e+02 1.946472029e+02 3.006296499e+02 1.16 4.550868847e+02 2.665466349e+02 4.003159531e+02 4.550870215e+02 4.550994174e+02 1.596460984e+02 2.782917767e+02 4.166032845e+02 1.784811022e+02 2.769487300e+02 1.18 4.213715287e+02 2.450524422e+02 3.700607421e+02 4.213656402e+02 4.213722094e+02 1.468921074e+02 2.562640485e+02 3.853056561e+02 1.636942557e+02 2.552119772e+02 1.20 3.902825092e+02 2.253309419e+02 3.421959268e+02 3.902764159e+02 3.902786538e+02 1.351939191e+02 2.360375353e+02 3.564677906e+02 1.501604934e+02 2.352451929e+02 1.22 3.615941804e+02 2.072244046e+02 3.165109769e+02 3.615922387e+02 3.615924111e+02 1.244541963e+02 2.174526079e+02 3.298774125e+02 1.377665690e+02 2.168910539e+02 1.24 3.351036935e+02 1.905907498e+02 2.928173692e+02 3.351084118e+02 3.351092673e+02 1.145865326e+02 2.003646885e+02 3.053444972e+02 1.264098096e+02 2.000079697e+02 1.26 3.106282468e+02 1.753018574e+02 2.709472602e+02 3.106403170e+02 3.106443781e+02 1.055140301e+02 1.846432735e+02 2.826967555e+02 1.159966612e+02 1.844694182e+02 1.28 2.880028050e+02 1.612419401e+02 2.507509147e+02 2.880211732e+02 2.880299006e+02 9.716822417e+01 1.701706935e+02 2.617786488e+02 1.064424524e+02 1.701625220e+02 1.30 2.670763258e+02 1.483059787e+02 2.320928084e+02 2.670986745e+02 2.671121558e+02 8.948756445e+01 1.568413648e+02 2.424478963e+02 9.767059350e+01 1.569849670e+02 1.32 2.477109425e+02 1.363988621e+02 2.148487104e+02 2.477344315e+02 2.477516267e+02 8.241623567e+01 1.445605493e+02 2.245745576e+02 8.961240553e+01 1.448429298e+02 1.34 2.297809189e+02 1.254346262e+02 1.989041251e+02 2.298027423e+02 2.298220069e+02 7.590314428e+01 1.332421737e+02 2.080400185e+02 8.220607047e+01 1.336492976e+02 1.36 2.131718929e+02 1.153353829e+02 1.841542818e+02 2.131896847e+02 2.132092242e+02 6.990126087e+01 1.228073577e+02 1.927361918e+02 7.539565052e+01 1.233234691e+02 1.38 1.977789820e+02 1.060299576e+02 1.705035446e+02 1.977913984e+02 1.978096330e+02 6.436721378e+01 1.131831896e+02 1.785648795e+02 6.913045168e+01 1.137915771e+02 1.40 1.835059631e+02 9.745323823e+01 1.578648226e+02 1.835131786e+02 1.835289515e+02 5.926123712e+01 1.043026582e+02 1.654366188e+02 6.336457950e+01 1.049869236e+02 1.42 1.702650266e+02 8.954600097e+01 1.461586993e+02 1.702686297e+02 1.702812759e+02 5.454721784e+01 9.610431457e+01 1.532702256e+02 5.805644709e+01 9.684966856e+01 1.44 1.579767723e+02 8.225431177e+01 1.353122702e+02 1.579789042e+02 1.579881805e+02 5.019244218e+01 8.853201003e+01 1.419916363e+02 5.316821574e+01 8.932603507e+01 1.46 1.465689433e+02 7.552860755e+01 1.252579973e+02 1.465712757e+02 1.465772477e+02 4.616703530e+01 8.153441455e+01 1.315330300e+02 4.866515346e+01 8.236715436e+01 1.48 1.359763182e+02 6.932301162e+01 1.159342501e+02 1.359795416e+02 1.359824878e+02 4.244396336e+01 7.506520420e+01 1.218320385e+02 4.451560901e+01 7.592897749e+01 1.50 1.261382714e+02 6.359488502e+01 1.072848059e+02 1.261422322e+02 1.261426159e+02 3.899926256e+01 6.908247979e+01 1.128308307e+02 4.069046798e+01 6.997096246e+01 1.52 1.169984018e+02 5.830512009e+01 9.925870429e+01 1.170025906e+02 1.170010717e+02 3.581586796e+01 6.354843924e+01 1.044761157e+02 3.716314342e+01 6.445593846e+01 1.54 1.085046976e+02 5.341833755e+01 9.181002518e+01 1.085086625e+02 1.085060924e+02 3.287435697e+01 5.842878151e+01 9.671914909e+01 3.390943903e+01 5.934998401e+01 1.56 1.006087736e+02 4.890275296e+01 8.489642651e+01 1.006122821e+02 1.006096318e+02 3.015588506e+01 5.369182200e+01 8.951492072e+01 3.090834349e+01 5.462183018e+01 1.58 9.326622929e+01 4.472970826e+01 7.847876680e+01 9.326921970e+01 9.326742871e+01 2.764330904e+01 4.930814372e+01 8.282234521e+01 2.814467556e+01 5.024282705e+01 1.60 8.643628855e+01 4.087317112e+01 7.252074660e+01 8.643878967e+01 8.643859555e+01 2.532101634e+01 4.525045302e+01 7.660343873e+01 2.560010589e+01 4.618650354e+01 1.62 8.008135845e+01 3.730910534e+01 6.698853882e+01 8.008343999e+01 8.008524507e+01 2.317465724e+01 4.149345805e+01 7.082322958e+01 2.325728801e+01 4.242827392e+01 1.64 7.416703025e+01 3.401526508e+01 6.185077117e+01 7.416883052e+01 7.417267475e+01 2.119103417e+01 3.801397609e+01 6.544964819e+01 2.110045883e+01 3.894547349e+01 1.66 6.866149237e+01 3.097104677e+01 5.707815120e+01 6.866327214e+01 6.866891146e+01 1.935782845e+01 3.479075717e+01 6.045314526e+01 1.911515081e+01 3.571709581e+01 1.68 6.353541025e+01 2.815747931e+01 5.264338143e+01 6.353759672e+01 6.354463814e+01 1.766351474e+01 3.180436666e+01 5.580661028e+01 1.728802068e+01 3.272379665e+01 1.70 5.876192990e+01 2.555734015e+01 4.852130411e+01 5.876507145e+01 5.877307734e+01 1.609739491e+01 2.903705698e+01 5.148513465e+01 1.560675195e+01 2.994791807e+01 1.72 5.431635100e+01 2.315877449e+01 4.468874836e+01 5.432092134e+01 5.432944743e+01 1.464952520e+01 2.647400081e+01 4.746582961e+01 1.405993767e+01 2.737599879e+01 1.74 5.017602493e+01 2.094844363e+01 4.112447562e+01 5.018222556e+01 5.019083418e+01 1.331070310e+01 2.410427062e+01 4.372760353e+01 1.263706272e+01 2.499613762e+01 1.76 4.632002746e+01 1.891207636e+01 3.780899075e+01 4.632767922e+01 4.633595172e+01 1.207235504e+01 2.191377171e+01 4.025091160e+01 1.132847212e+01 2.279416601e+01 1.78 4.272899364e+01 1.703634044e+01 3.472438575e+01 4.273757605e+01 4.274514246e+01 1.092653284e+01 1.988931272e+01 3.701751031e+01 1.012533227e+01 2.075694365e+01 1.80 3.938474180e+01 1.530870664e+01 3.185411463e+01 3.939353125e+01 3.940009751e+01 9.865856938e+00 1.801875197e+01 3.401022496e+01 9.019508011e+00 1.887218614e+01 1.82 3.627028405e+01 1.371748701e+01 2.918306672e+01 3.627851601e+01 3.628387937e+01 8.883692135e+00 1.629093770e+01 3.121293760e+01 8.003487017e+00 1.712853186e+01 1.84 3.336962521e+01 1.225178362e+01 2.669739982e+01 3.337659839e+01 3.338064376e+01 7.974120512e+00 1.469553565e+01 2.861045397e+01 7.070244233e+00 1.551551055e+01 1.86 3.066782698e+01 1.090155269e+01 2.438535955e+01 3.067299845e+01 3.067569480e+01 7.131970848e+00 1.322299174e+01 2.618863587e+01 6.213226449e+00 1.402361741e+01 1.88 2.815070860e+01 9.657608038e+00 2.223910597e+01 2.815376618e+01 2.815516320e+01 6.352613644e+00 1.186433854e+01 2.393583447e+01 5.426275211e+00 1.264412713e+01 1.90 2.580496431e+01 8.511668759e+00 2.024802956e+01 2.580588615e+01 2.580611093e+01 5.631870772e+00 1.061120964e+01 2.184322399e+01 4.703699816e+00 1.136906322e+01 1.92 2.362035016e+01 7.456307010e+00 1.840164271e+01 2.361933966e+01 2.361852611e+01 4.965875227e+00 9.455786719e+00 1.989942992e+01 4.040301823e+00 1.019108594e+01 1.94 2.158809943e+01 6.484902602e+00 1.669003004e+01 2.158563064e+01 2.158401851e+01 4.351006477e+00 8.390767180e+00 1.809396564e+01 3.431417289e+00 9.103405289e+00 1.96 1.969746600e+01 5.591494297e+00 1.510374525e+01 1.969413705e+01 1.969199816e+01 3.783805957e+00 7.409332269e+00 1.641720917e+01 2.872869556e+00 8.099663393e+00 1.98 1.793872452e+01 4.770661970e+00 1.363388550e+01 1.793513984e+01 1.793276037e+01 3.260969073e+00 6.505157083e+00 1.486036376e+01 2.360926915e+00 7.173902333e+00 2.00 1.630296454e+01 4.017417561e+00 1.227207108e+01 1.629965143e+01 1.629733199e+01 2.779311404e+00 5.672394489e+00 1.341529014e+01 1.892199231e+00 6.320464125e+00 2.02 1.478196677e+01 3.327141002e+00 1.101053062e+01 1.477934988e+01 1.477740890e+01 2.335809926e+00 4.905674133e+00 1.207439358e+01 1.463556428e+00 5.533960698e+00 2.04 1.336812532e+01 2.695542347e+00 9.842132582e+00 1.336652366e+01 1.336528326e+01 1.927644790e+00 4.200114550e+00 1.083065545e+01 1.072059070e+00 4.809288991e+00 2.06 1.205434160e+01 2.118584883e+00 8.760321870e+00 1.205397933e+01 1.205373173e+01 1.552206003e+00 3.551264083e+00 9.677596710e+00 7.149137611e-01 4.141652876e+00 2.08 1.083396541e+01 1.592459545e+00 7.759035951e+00 1.083497122e+01 1.083593220e+01 1.207082554e+00 2.955052984e+00 8.609167829e+00 3.894411795e-01 3.526596748e+00 2.10 9.700907336e+00 1.113542019e+00 6.832696597e+00 9.703290768e+00 9.705548448e+00 8.900674681e-01 2.407758621e+00 7.619841516e+00 9.312515411e-02 2.960143833e+00 2.12 8.649518073e+00 6.783468171e-01 5.976080838e+00 8.653158972e+00 8.656648603e+00 5.990945898e-01 1.905920068e+00 6.704433219e+00 -1.763894519e-01 2.438745940e+00 2.14 7.674606819e+00 2.835187169e-01 5.184312460e+00 7.679254047e+00 7.683756494e+00 3.322264770e-01 1.446317509e+00 5.858127405e+00 -4.212694436e-01 1.959271326e+00 2.16 6.771360489e+00 -7.418316349e-02 4.452823011e+00 6.776650658e+00 6.781818291e+00 8.763692863e-02 1.025933501e+00 5.076393649e+00 -6.434919309e-01 1.518905492e+00 2.18 5.935239216e+00 -3.978607213e-01 3.777322387e+00 5.940747693e+00 5.946158054e+00 -1.363981363e-01 6.419251740e-01 4.354940086e+00 -8.448599767e-01 1.115022192e+00 2.20 5.161977383e+00 -6.904484259e-01 3.153870035e+00 5.167265072e+00 5.172477475e+00 -3.414537566e-01 2.916314087e-01 3.689701067e+00 -1.027008945e+00 7.451388191e-01 2.22 4.447407930e+00 -9.546823537e-01 2.578785694e+00 4.452078920e+00 4.456693754e+00 -5.289765749e-01 -2.745534887e-02 3.076777376e+00 -1.191447027e+00 4.067904180e-01 2.24 3.787561000e+00 -1.193056090e+00 2.048738174e+00 3.791304790e+00 3.795006036e+00 -7.002362094e-01 -3.176654026e-01 2.512453375e+00 -1.339551282e+00 9.757957458e-02 2.26 3.178556807e+00 -1.407815209e+00 1.560649859e+00 3.181169634e+00 3.183751700e+00 -8.563629397e-01 -5.811960663e-01 1.993184395e+00 -1.472611547e+00 -1.848479140e-01 2.28 2.616745246e+00 -1.600944437e+00 1.111741977e+00 2.618138052e+00 2.619508769e+00 -9.983363590e-01 -8.201081217e-01 1.515668575e+00 -1.591809913e+00 -4.426964763e-01 2.30 2.098672365e+00 -1.774197985e+00 6.994457648e-01 2.098853318e+00 2.099018471e+00 -1.127374959e+00 -1.036357004e+00 1.076825552e+00 -1.698240342e+00 -6.780002295e-01 2.32 1.621190670e+00 -1.929119569e+00 3.214104888e-01 1.620240988e+00 1.619280026e+00 -1.244244346e+00 -1.231776725e+00 6.738419937e-01 -1.792887354e+00 -8.925533318e-01 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