# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Morse # implementation = 2013--Hale-L-M--Pd-Ag-H-Morse--LAMMPS--ipr1 # composition = H # 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 2.207580720e+02 nan 0.78 nan nan nan nan nan nan nan nan 1.982538725e+02 nan 0.80 nan nan nan nan nan nan nan nan 1.782475764e+02 nan 0.82 nan nan nan nan nan 1.415574217e+02 nan nan 1.604805597e+02 nan 0.84 nan nan nan nan nan 1.280990862e+02 nan nan 1.447111552e+02 nan 0.86 nan nan nan nan nan 1.160719908e+02 nan nan 1.306596567e+02 nan 0.88 nan nan nan nan nan 1.054226795e+02 nan nan 1.181313673e+02 nan 0.90 nan nan nan nan nan 9.591926380e+01 nan nan 1.069659640e+02 nan 0.92 nan nan nan 2.312189061e+02 2.312112800e+02 8.736771369e+01 nan nan 9.698952334e+01 1.449066132e+02 0.94 nan 1.273479450e+02 nan 2.110590586e+02 2.110742131e+02 7.968643940e+01 1.324898832e+02 nan 8.803459470e+01 1.317536210e+02 0.96 nan 1.156581936e+02 nan 1.927939282e+02 1.928163214e+02 7.279946892e+01 1.205051243e+02 nan 8.000431346e+01 1.199926194e+02 0.98 nan 1.051420380e+02 nan 1.762304133e+02 1.762416528e+02 6.661700902e+01 1.097175690e+02 nan 7.280736651e+01 1.093841258e+02 1.00 nan 9.566609950e+01 nan 1.612451903e+02 1.612530834e+02 6.107186964e+01 1.000008131e+02 nan 6.634260232e+01 9.978333239e+01 1.02 nan 8.711667838e+01 nan 1.476498790e+02 1.476509339e+02 5.606681170e+01 9.122122853e+01 nan 6.053818294e+01 9.117048852e+01 1.04 nan 7.941791363e+01 1.188774745e+02 1.352765650e+02 1.352692921e+02 5.155767130e+01 8.331015309e+01 1.237724178e+02 5.532852589e+01 8.338400665e+01 1.06 1.240771535e+02 7.248093987e+01 1.088733571e+02 1.240290645e+02 1.240241017e+02 4.741643636e+01 7.619600857e+01 1.133642675e+02 5.064655344e+01 7.630309002e+01 1.08 1.138300813e+02 6.620180644e+01 9.976497888e+01 1.138273148e+02 1.138270730e+02 4.341471547e+01 6.975859624e+01 1.039019466e+02 4.643563451e+01 6.987004902e+01 1.10 1.045140572e+02 6.050370764e+01 9.150281039e+01 1.045449689e+02 1.045483486e+02 3.961261962e+01 6.389372505e+01 9.532785871e+01 4.262487382e+01 6.404727176e+01 1.12 9.602760580e+01 5.536799144e+01 8.396653116e+01 9.606805361e+01 9.608220266e+01 3.604529612e+01 5.856388530e+01 8.752458654e+01 3.898883632e+01 5.880364337e+01 1.14 8.830247718e+01 5.073790398e+01 7.707111574e+01 8.833591493e+01 8.835676962e+01 3.272272690e+01 5.374535991e+01 8.041249509e+01 3.551175842e+01 5.407238811e+01 1.16 8.125205692e+01 4.654525192e+01 7.083404035e+01 8.127717662e+01 8.129126175e+01 2.964063061e+01 4.939002815e+01 7.393859626e+01 3.222207040e+01 4.977509227e+01 1.18 7.483411379e+01 4.276377089e+01 6.519517495e+01 7.483767765e+01 7.484068845e+01 2.678680412e+01 4.545526713e+01 6.805804399e+01 2.913682872e+01 4.586291308e+01 1.20 6.899503206e+01 3.932953080e+01 6.006505698e+01 6.897255343e+01 6.897014569e+01 2.415202331e+01 4.188047177e+01 6.270121045e+01 2.626548124e+01 4.231236651e+01 1.22 6.365295618e+01 3.611662606e+01 5.535282660e+01 6.362682795e+01 6.362465381e+01 2.174255738e+01 3.859889947e+01 5.780430826e+01 2.361519982e+01 3.902773204e+01 1.24 5.875054150e+01 3.303213260e+01 5.105818960e+01 5.874236654e+01 5.874028885e+01 1.954954177e+01 3.544859554e+01 5.332994815e+01 2.117822718e+01 3.584916529e+01 1.26 5.428357558e+01 3.009017947e+01 4.716472981e+01 5.427616262e+01 5.426911588e+01 1.754948684e+01 3.242924511e+01 4.924846577e+01 1.894297039e+01 3.280378146e+01 1.28 5.019218410e+01 2.730091912e+01 4.360433889e+01 5.018192002e+01 5.017115903e+01 1.572687042e+01 2.955793622e+01 4.551424540e+01 1.689775332e+01 2.990917326e+01 1.30 4.643331967e+01 2.468406720e+01 4.032403546e+01 4.643369485e+01 4.642976044e+01 1.407228562e+01 2.684504162e+01 4.209336436e+01 1.502845403e+01 2.718844463e+01 1.32 4.299891802e+01 2.223934420e+01 3.730805553e+01 4.301149772e+01 4.301749374e+01 1.257073929e+01 2.430226615e+01 3.897461126e+01 1.332570061e+01 2.465144940e+01 1.34 3.988057372e+01 1.996634169e+01 3.442953233e+01 3.989226600e+01 3.990314912e+01 1.120804773e+01 2.193889901e+01 3.608331694e+01 1.178279511e+01 2.229524863e+01 1.36 3.700414882e+01 1.787023368e+01 3.166906596e+01 3.701511588e+01 3.702506587e+01 9.970731126e+00 1.975334036e+01 3.327946566e+01 1.038592298e+01 2.011213501e+01 1.38 3.421060404e+01 1.594589556e+01 2.902680177e+01 3.422401278e+01 3.423187028e+01 8.848509420e+00 1.773363226e+01 3.058248762e+01 9.119677224e+00 1.808534228e+01 1.40 3.151757776e+01 1.417364391e+01 2.651621567e+01 3.153077354e+01 3.153596666e+01 7.832147168e+00 1.587114047e+01 2.801324020e+01 7.974889560e+00 1.621269394e+01 1.42 2.895631782e+01 1.254185336e+01 2.414992475e+01 2.896093139e+01 2.896335878e+01 6.913074724e+00 1.415923121e+01 2.557937154e+01 6.942634694e+00 1.449384541e+01 1.44 2.652134602e+01 1.104962679e+01 2.193067658e+01 2.652132179e+01 2.652243053e+01 6.082727573e+00 1.259068534e+01 2.328323559e+01 6.012397108e+00 1.292319950e+01 1.46 2.421086572e+01 9.695755034e+00 1.986051106e+01 2.421568212e+01 2.421716799e+01 5.332229042e+00 1.115592159e+01 2.112990143e+01 5.174734132e+00 1.148706360e+01 1.48 2.203796749e+01 8.468152652e+00 1.793402609e+01 2.204817989e+01 2.205090154e+01 4.653303921e+00 9.844814740e+00 1.912264647e+01 4.421815750e+00 1.017740711e+01 1.50 2.000857174e+01 7.352341505e+00 1.613553807e+01 2.001885590e+01 2.002267987e+01 4.042125331e+00 8.647341396e+00 1.725891185e+01 3.746262125e+00 8.984527009e+00 1.52 1.811648061e+01 6.337904620e+00 1.446202868e+01 1.812374541e+01 1.812780207e+01 3.493821402e+00 7.558185722e+00 1.552919625e+01 3.141222950e+00 7.897551638e+00 1.54 1.635861546e+01 5.417701364e+00 1.292059144e+01 1.636137536e+01 1.636478200e+01 3.000425545e+00 6.571759978e+00 1.392850207e+01 2.599665743e+00 6.907910348e+00 1.56 1.472749601e+01 4.586824139e+00 1.151140682e+01 1.472751734e+01 1.473060832e+01 2.554652368e+00 5.679829743e+00 1.245069103e+01 2.114567572e+00 6.007400855e+00 1.58 1.321675368e+01 3.839253754e+00 1.022145492e+01 1.321747126e+01 1.322126936e+01 2.153032355e+00 4.871670248e+00 1.109238266e+01 1.680890108e+00 5.190329762e+00 1.60 1.182352976e+01 3.167372146e+00 9.037111773e+00 1.182310286e+01 1.182727178e+01 1.792863871e+00 4.139409044e+00 9.844975118e+00 1.295661392e+00 4.451024147e+00 1.62 1.053992486e+01 2.563091324e+00 7.952386813e+00 1.053751888e+01 1.054144555e+01 1.468535660e+00 3.477265852e+00 8.698369774e+00 9.542533428e-01 3.782794769e+00 1.64 9.356198133e+00 2.020034423e+00 6.961205788e+00 9.353214941e+00 9.356045488e+00 1.175157194e+00 2.879922203e+00 7.645596314e+00 6.511470348e-01 3.179336809e+00 1.66 8.268064752e+00 1.533456416e+00 6.055815165e+00 8.264799483e+00 8.265027069e+00 9.109677855e-01 2.342454586e+00 6.681857302e+00 3.807823769e-01 2.635269601e+00 1.68 7.271699988e+00 1.099414044e+00 5.229209955e+00 7.267940882e+00 7.265480490e+00 6.743978771e-01 1.859937464e+00 5.802761190e+00 1.397916001e-01 2.144885132e+00 1.70 6.359773075e+00 7.135956688e-01 4.474703155e+00 6.355698829e+00 6.351948093e+00 4.650418147e-01 1.427295042e+00 5.001102285e+00 -7.402276907e-02 1.703739321e+00 1.72 5.522503687e+00 3.711280776e-01 3.786609095e+00 5.520727882e+00 5.517751798e+00 2.832074070e-01 1.040213122e+00 4.270145690e+00 -2.613499651e-01 1.310051424e+00 1.74 4.756895470e+00 6.636820730e-02 3.161745227e+00 4.757914538e+00 4.756398876e+00 1.236150209e-01 6.941581927e-01 3.605567079e+00 -4.246934482e-01 9.589335162e-01 1.76 4.059857247e+00 -2.045874013e-01 2.596130896e+00 4.062210987e+00 4.061658365e+00 -1.919842887e-02 3.865328324e-01 3.002453524e+00 -5.666577640e-01 6.444209005e-01 1.78 3.426865106e+00 -4.448241528e-01 2.084845239e+00 3.428738709e+00 3.428585629e+00 -1.494033164e-01 1.138345633e-01 2.455843245e+00 -6.893268866e-01 3.608876735e-01 1.80 2.851735842e+00 -6.562246853e-01 1.622837988e+00 2.852641590e+00 2.852605070e+00 -2.647553959e-01 -1.268089651e-01 1.960510054e+00 -7.958551218e-01 1.061994214e-01 1.82 2.328688565e+00 -8.393417888e-01 1.206727905e+00 2.329161172e+00 2.329190213e+00 -3.580445410e-01 -3.390758974e-01 1.512196156e+00 -8.879254193e-01 -1.184286723e-01 1.84 1.853857496e+00 -9.975966060e-01 8.329312810e-01 1.854292420e+00 1.854264023e+00 -4.350931547e-01 -5.275375528e-01 1.107223443e+00 -9.676883206e-01 -3.164278308e-01 1.86 1.423505600e+00 -1.133725480e+00 4.972859838e-01 1.423968757e+00 1.423776946e+00 -5.027307389e-01 -6.951051794e-01 7.428481431e-01 -1.036424473e+00 -4.915743386e-01 1.88 1.034021618e+00 -1.249364788e+00 1.954989861e-01 1.034568339e+00 1.034185254e+00 -5.663302534e-01 -8.433485920e-01 4.161479591e-01 -1.093376870e+00 -6.472633947e-01 1.90 6.820078109e-01 -1.344956648e+00 -7.613682432e-02 6.830869572e-01 6.825725104e-01 -6.278471671e-01 -9.728644345e-01 1.246923207e-01 -1.138110104e+00 -7.858761175e-01 1.92 3.653030169e-01 -1.422164605e+00 -3.192071054e-01 3.669820497e-01 3.662682577e-01 -6.820910812e-01 -1.085101644e+00 -1.336706709e-01 -1.169495115e+00 -9.074987888e-01 1.94 8.484755751e-02 -1.486104035e+00 -5.358375252e-01 8.556717670e-02 8.409221322e-02 -7.285221646e-01 -1.182192276e+00 -3.622834302e-01 -1.190562307e+00 -1.013335373e+00 1.96 -1.624433566e-01 -1.541441708e+00 -7.281751108e-01 -1.643846336e-01 -1.670998707e-01 -7.678904595e-01 -1.265945075e+00 -5.656843588e-01 -1.205399320e+00 -1.104848153e+00 1.98 -3.815855907e-01 -1.589494113e+00 -8.954217499e-01 -3.866276501e-01 -3.901568648e-01 -8.008802758e-01 -1.336940105e+00 -7.473436893e-01 -1.215783711e+00 -1.183376163e+00 2.00 -5.781263501e-01 -1.630553804e+00 -1.039070212e+00 -5.850317551e-01 -5.883866564e-01 -8.281158595e-01 -1.395332945e+00 -9.105402272e-01 -1.223052671e+00 -1.250145142e+00 2.02 -7.568636592e-01 -1.662577471e+00 -1.161755260e+00 -7.632858878e-01 -7.655208459e-01 -8.489814338e-01 -1.441140048e+00 -1.056304562e+00 -1.227803018e+00 -1.306276724e+00 2.04 -9.185647846e-01 -1.686269968e+00 -1.264194148e+00 -9.223925284e-01 -9.232111786e-01 -8.609516706e-01 -1.476015750e+00 -1.183895525e+00 -1.229102729e+00 -1.352796891e+00 2.06 -1.061594613e+00 -1.702508568e+00 -1.351394342e+00 -1.062733727e+00 -1.062688006e+00 -8.664200888e-01 -1.502604325e+00 -1.293843252e+00 -1.228061043e+00 -1.390644935e+00 2.08 -1.186814056e+00 -1.712092448e+00 -1.428099284e+00 -1.186064386e+00 -1.185882339e+00 -8.683878734e-01 -1.523251911e+00 -1.388288223e+00 -1.224305738e+00 -1.417367113e+00 2.10 -1.294993598e+00 -1.715749227e+00 -1.495211680e+00 -1.293279090e+00 -1.293111744e+00 -8.694171184e-01 -1.539118723e+00 -1.469401753e+00 -1.215471791e+00 -1.430724165e+00 2.12 -1.388121982e+00 -1.714140961e+00 -1.554867895e+00 -1.386433545e+00 -1.386279245e+00 -8.711165929e-01 -1.550766129e+00 -1.539137565e+00 -1.201249645e+00 -1.434749613e+00 2.14 -1.468251084e+00 -1.707869670e+00 -1.607567198e+00 -1.466699917e+00 -1.465967558e+00 -8.730453248e-01 -1.557408298e+00 -1.599051527e+00 -1.182974407e+00 -1.433901031e+00 2.16 -1.537261247e+00 -1.697363366e+00 -1.651036315e+00 -1.534551627e+00 -1.532097838e+00 -8.726614139e-01 -1.559155441e+00 -1.648634671e+00 -1.163063189e+00 -1.431997961e+00 2.18 -1.596684287e+00 -1.681727471e+00 -1.685960345e+00 -1.591890807e+00 -1.587104803e+00 -8.700705211e-01 -1.556545556e+00 -1.687322451e+00 -1.142373487e+00 -1.431457955e+00 2.20 -1.647193719e+00 -1.661586864e+00 -1.712778963e+00 -1.640119655e+00 -1.633045590e+00 -8.649723828e-01 -1.550045616e+00 -1.716783644e+00 -1.121122546e+00 -1.431150044e+00 2.22 -1.688750702e+00 -1.636937826e+00 -1.731216951e+00 -1.680021371e+00 -1.671292040e+00 -8.561411513e-01 -1.538492077e+00 -1.738766036e+00 -1.099573588e+00 -1.427310216e+00 2.24 -1.722149911e+00 -1.606972079e+00 -1.742448863e+00 -1.712786494e+00 -1.703423076e+00 -8.445829497e-01 -1.521928463e+00 -1.754846079e+00 -1.078083186e+00 -1.420215688e+00 2.26 -1.748128681e+00 -1.574210653e+00 -1.747848027e+00 -1.739057241e+00 -1.729985801e+00 -8.315858591e-01 -1.501861174e+00 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