# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Chrobak-D-Majtyka-Pilat-A-Ziolkowski-G-Chrobak-A--In-P # implementation = 2022--Chrobak-D--In-P--LAMMPS--ipr1 # composition = In # 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 2023-02-07 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 1.417081156e+02 nan nan nan nan 0.64 nan nan nan nan nan 1.267092898e+02 nan nan nan nan 0.66 nan nan nan nan nan 1.135419475e+02 nan nan 1.333938698e+02 nan 0.68 nan nan nan nan nan 1.019725628e+02 nan nan 1.199005991e+02 nan 0.70 nan nan nan nan nan 9.172784491e+01 nan nan 1.079704153e+02 nan 0.72 nan 1.374295733e+02 nan nan nan 8.270593878e+01 nan nan 9.740311257e+01 1.378199353e+02 0.74 nan 1.246190624e+02 nan nan nan 7.463131669e+01 1.269430955e+02 nan 8.801905317e+01 1.249715210e+02 0.76 nan 1.131500357e+02 nan nan nan 6.739267097e+01 1.153150049e+02 nan 7.964444157e+01 1.134959586e+02 0.78 nan 1.029118217e+02 1.408828293e+02 nan nan 6.090663190e+01 1.048897633e+02 nan 7.217998820e+01 1.032713555e+02 0.80 nan 9.374581563e+01 1.287177895e+02 nan 1.424244576e+02 5.522173133e+01 9.555422504e+01 1.328008458e+02 6.552557463e+01 9.407167118e+01 0.82 1.304420128e+02 8.547036997e+01 1.178016403e+02 1.304285779e+02 1.304305701e+02 5.021352396e+01 8.713805709e+01 1.215753813e+02 5.951723377e+01 8.580120014e+01 0.84 1.196340469e+02 7.798934390e+01 1.079227278e+02 1.196230852e+02 1.196226089e+02 4.561139603e+01 7.954314873e+01 1.114304706e+02 5.405425187e+01 7.838673850e+01 0.86 1.098682647e+02 7.128062288e+01 9.904617691e+01 1.098473712e+02 1.098335852e+02 4.147769280e+01 7.272775935e+01 1.022533326e+02 4.912917447e+01 7.172713308e+01 0.88 1.009770509e+02 6.515612430e+01 9.093763857e+01 1.009613132e+02 1.009458554e+02 3.770310823e+01 6.661984836e+01 9.389764317e+01 4.472130678e+01 6.562458178e+01 0.90 9.289377455e+01 5.967227460e+01 8.352129486e+01 9.289745904e+01 9.289963489e+01 3.423635638e+01 6.104195315e+01 8.629892306e+01 4.074791969e+01 6.002484470e+01 0.92 8.557051656e+01 5.463947839e+01 7.681303686e+01 8.557886812e+01 8.558903864e+01 3.109927423e+01 5.589798473e+01 7.940219254e+01 3.710020836e+01 5.492755626e+01 0.94 7.881589181e+01 5.000414177e+01 7.072683950e+01 7.887072639e+01 7.889232291e+01 2.828653759e+01 5.122838787e+01 7.310026457e+01 3.382466253e+01 5.040862726e+01 0.96 7.265664907e+01 4.588734488e+01 6.513733615e+01 7.272960477e+01 7.275236513e+01 2.578647042e+01 4.699038629e+01 6.738883327e+01 3.083393930e+01 4.631636845e+01 0.98 6.715442322e+01 4.214737940e+01 6.001596184e+01 6.714282677e+01 6.715341462e+01 2.350925082e+01 4.311366262e+01 6.220548136e+01 2.811594109e+01 4.253356359e+01 1.00 6.209342590e+01 3.863100086e+01 5.530269277e+01 6.202377982e+01 6.201859617e+01 2.133479274e+01 3.959060118e+01 5.742681533e+01 2.566461858e+01 3.904541141e+01 1.02 5.739914733e+01 3.542492897e+01 5.112784589e+01 5.734129001e+01 5.732552361e+01 1.943241445e+01 3.642437044e+01 5.302134038e+01 2.342814056e+01 3.581983404e+01 1.04 5.306992582e+01 3.256593951e+01 4.735337001e+01 5.305056187e+01 5.303741880e+01 1.775208384e+01 3.349489458e+01 4.898794994e+01 2.140369474e+01 3.286800711e+01 1.06 4.909671332e+01 2.996308663e+01 4.375670775e+01 4.908947271e+01 4.907144747e+01 1.615670634e+01 3.071106657e+01 4.527814199e+01 1.949993471e+01 3.021663437e+01 1.08 4.543007807e+01 2.748414907e+01 4.041756013e+01 4.543124750e+01 4.540319353e+01 1.470434753e+01 2.816105624e+01 4.182462205e+01 1.777631684e+01 2.777382138e+01 1.10 4.203970308e+01 2.515593725e+01 3.731895074e+01 4.206581825e+01 4.203592393e+01 1.334559949e+01 2.584930043e+01 3.866285423e+01 1.624062780e+01 2.552131989e+01 1.12 3.894220364e+01 2.303090021e+01 3.442366500e+01 3.898063701e+01 3.897817381e+01 1.204756434e+01 2.374893429e+01 3.577815817e+01 1.479449732e+01 2.349480863e+01 1.14 3.604159238e+01 2.114884209e+01 3.174497764e+01 3.610688087e+01 3.615186714e+01 1.085592365e+01 2.183743110e+01 3.309128232e+01 1.341462533e+01 2.157598985e+01 1.16 3.340329557e+01 1.945337241e+01 2.934647687e+01 3.344654660e+01 3.350145551e+01 9.835642272e+00 2.007980826e+01 3.063055258e+01 1.213923199e+01 1.985678307e+01 1.18 3.102358936e+01 1.783442011e+01 2.718670516e+01 3.099187459e+01 3.102636148e+01 8.943991704e+00 1.844727861e+01 2.836039991e+01 1.098561623e+01 1.833873625e+01 1.20 2.875639628e+01 1.628945752e+01 2.512752269e+01 2.870665485e+01 2.873039495e+01 8.067952385e+00 1.697301795e+01 2.620300696e+01 9.936971121e+00 1.686214481e+01 1.22 2.658671316e+01 1.485965494e+01 2.318579293e+01 2.658189058e+01 2.660222317e+01 7.270963317e+00 1.563801386e+01 2.416923196e+01 8.961032636e+00 1.543864359e+01 1.24 2.458236965e+01 1.357930962e+01 2.145669452e+01 2.460536608e+01 2.461337316e+01 6.667227117e+00 1.438995458e+01 2.228856295e+01 8.040781065e+00 1.416458525e+01 1.26 2.271591498e+01 1.241934445e+01 1.985646882e+01 2.273246465e+01 2.272763825e+01 6.117244781e+00 1.317934675e+01 2.057752854e+01 7.166626900e+00 1.298307273e+01 1.28 2.095927543e+01 1.138098528e+01 1.829359536e+01 2.098925990e+01 2.098024324e+01 5.479271731e+00 1.202709744e+01 1.903844454e+01 6.386601026e+00 1.183797061e+01 1.30 1.936330899e+01 1.048624004e+01 1.681332507e+01 1.940563538e+01 1.938903984e+01 4.848568399e+00 1.095834580e+01 1.768083809e+01 5.744310655e+00 1.075800760e+01 1.32 1.803115966e+01 9.626043421e+00 1.543266152e+01 1.802343327e+01 1.797983475e+01 4.262381504e+00 9.950651162e+00 1.643288329e+01 5.191351725e+00 9.751976847e+00 1.34 1.685602881e+01 8.741781070e+00 1.420497350e+01 1.677090732e+01 1.670839808e+01 3.717503306e+00 9.010305573e+00 1.522064911e+01 4.662390355e+00 8.814619260e+00 1.36 1.565438531e+01 7.880457710e+00 1.314152452e+01 1.555315915e+01 1.550482891e+01 3.220678022e+00 8.165252450e+00 1.401102645e+01 4.131658855e+00 7.941079727e+00 1.38 1.442110748e+01 7.076568167e+00 1.223315029e+01 1.436661467e+01 1.434571808e+01 2.833869804e+00 7.416370643e+00 1.287544170e+01 3.622111057e+00 7.126873685e+00 1.40 1.327054953e+01 6.326210732e+00 1.137039833e+01 1.325463909e+01 1.324134333e+01 2.523906384e+00 6.715374331e+00 1.183886470e+01 3.121245652e+00 6.390552828e+00 1.42 1.221902154e+01 5.625766900e+00 1.051283599e+01 1.222126723e+01 1.220879538e+01 2.212719616e+00 6.028563226e+00 1.087352792e+01 2.684232289e+00 5.812755175e+00 1.44 1.124881160e+01 4.971879351e+00 9.624275633e+00 1.124945364e+01 1.124219585e+01 1.850251486e+00 5.361641945e+00 9.947939037e+00 2.331397297e+00 5.339847668e+00 1.46 1.032968399e+01 4.365665896e+00 8.774472447e+00 1.034878608e+01 1.036796477e+01 1.498978605e+00 4.738386630e+00 9.077829529e+00 2.022009013e+00 4.863229639e+00 1.48 9.442075189e+00 3.826246355e+00 7.979105061e+00 9.498175699e+00 9.555587463e+00 1.175196303e+00 4.156220608e+00 8.291542911e+00 1.730739472e+00 4.313939676e+00 1.50 8.604743110e+00 3.361925262e+00 7.254646278e+00 8.691094654e+00 8.778854584e+00 9.100579610e-01 3.634794448e+00 7.565118338e+00 1.450033680e+00 3.783468789e+00 1.52 7.818528496e+00 2.981361900e+00 6.593068268e+00 7.912733486e+00 8.008326284e+00 6.925088200e-01 3.182798637e+00 6.871381976e+00 1.179893513e+00 3.287324644e+00 1.54 7.127083108e+00 2.645824023e+00 5.971424828e+00 7.212224333e+00 7.298037091e+00 4.878346953e-01 2.771467853e+00 6.239906005e+00 9.052923044e-01 2.886942562e+00 1.56 6.565013170e+00 2.332191485e+00 5.367505439e+00 6.620061127e+00 6.674120568e+00 2.635061150e-01 2.379278127e+00 5.699510940e+00 6.556572316e-01 2.629417109e+00 1.58 6.075344427e+00 1.996227138e+00 4.787633345e+00 6.091429411e+00 6.104911672e+00 3.367114569e-02 2.032144950e+00 5.205329825e+00 4.533864522e-01 2.439006379e+00 1.60 5.577329696e+00 1.657029317e+00 4.242931829e+00 5.565325193e+00 5.549861607e+00 -1.807470593e-01 1.766431738e+00 4.702070243e+00 2.677445596e-01 2.208734011e+00 1.62 5.023887388e+00 1.311879270e+00 3.731269289e+00 5.006949477e+00 4.986480125e+00 -3.807362780e-01 1.537661987e+00 4.180932973e+00 7.333352540e-02 1.877495262e+00 1.64 4.488780981e+00 9.842266596e-01 3.250651316e+00 4.470871641e+00 4.449467941e+00 -5.672177226e-01 1.315004643e+00 3.686015220e+00 -1.397657240e-01 1.547620798e+00 1.66 3.984935375e+00 6.774845794e-01 2.799211254e+00 3.966192523e+00 3.943992624e+00 -7.410507656e-01 1.124066319e+00 3.226071767e+00 -3.422798915e-01 1.237989881e+00 1.68 3.510532564e+00 3.903823322e-01 2.375201440e+00 3.491080953e+00 3.468209813e+00 -9.030373167e-01 9.612973234e-01 2.825610263e+00 -5.312838710e-01 9.474072244e-01 1.70 3.063866520e+00 1.217294465e-01 1.976985089e+00 3.043818933e+00 3.020389522e+00 -1.053925877e+00 7.891125340e-01 2.473837328e+00 -7.076100775e-01 6.747507184e-01 1.72 2.670264515e+00 -1.130238123e-01 1.621309959e+00 2.642801129e+00 2.612234101e+00 -1.194415292e+00 5.686746285e-01 2.155110039e+00 -8.720382307e-01 4.360238944e-01 1.74 2.347184192e+00 -3.037808077e-01 1.319440222e+00 2.300535949e+00 2.251434246e+00 -1.325158234e+00 3.286121105e-01 1.850248835e+00 -1.025298821e+00 2.416038244e-01 1.76 2.067723818e+00 -4.676043245e-01 1.052525206e+00 1.996574782e+00 1.923737538e+00 -1.446764424e+00 1.031172196e-01 1.543970920e+00 -1.167792777e+00 7.392553430e-02 1.78 1.794956920e+00 -6.268314316e-01 7.980976390e-01 1.703885810e+00 1.611728756e+00 -1.557798429e+00 -1.004365141e-01 1.250118490e+00 -1.286107711e+00 -8.986021054e-02 1.80 1.496299045e+00 -8.005232184e-01 6.085570789e-01 1.415820003e+00 1.334582804e+00 -1.605211502e+00 -2.711548495e-01 9.590918362e-01 -1.377895730e+00 -2.691248056e-01 1.82 1.187151898e+00 -9.786584512e-01 5.087361639e-01 1.146396482e+00 1.105103765e+00 -1.581933674e+00 -4.191036042e-01 6.756819086e-01 -1.452161403e+00 -4.540652347e-01 1.84 8.957583645e-01 -1.103264008e+00 4.650222482e-01 9.031715035e-01 9.103194221e-01 -1.527959714e+00 -5.586864791e-01 4.089412467e-01 -1.521077398e+00 -6.275397835e-01 1.86 6.211441634e-01 -1.160587797e+00 4.011615165e-01 6.679885010e-01 7.148005823e-01 -1.494681705e+00 -7.033316668e-01 1.579416830e-01 -1.598602774e+00 -7.901992848e-01 1.88 3.623907145e-01 -1.181240311e+00 2.460676216e-01 4.250442382e-01 4.877689137e-01 -1.527090602e+00 -8.555391170e-01 -7.819122360e-02 -1.681755535e+00 -9.426567782e-01 1.90 1.186317661e-01 -1.199401253e+00 3.642943076e-02 1.821498513e-01 2.457575396e-01 -1.599159919e+00 -9.996202004e-01 -2.912399088e-01 -1.760449429e+00 -1.085489788e+00 1.92 -1.109497601e-01 -1.232876705e+00 -1.612996495e-01 -4.671585899e-02 1.762544664e-02 -1.666275496e+00 -1.134707417e+00 -4.584194092e-01 -1.819505339e+00 -1.219242457e+00 1.94 -3.271247234e-01 -1.289282793e+00 -3.477448624e-01 -2.623105895e-01 -1.973718877e-01 -1.728717998e+00 -1.261299874e+00 -5.904470903e-01 -1.858110064e+00 -1.344427551e+00 1.96 -5.306205294e-01 -1.338016219e+00 -5.234982621e-01 -4.653497174e-01 -3.999378003e-01 -1.786751926e+00 -1.379868688e+00 -6.800885951e-01 -1.887505430e+00 -1.461528335e+00 1.98 -6.845709786e-01 -1.393012941e+00 -6.891203076e-01 -6.230543416e-01 -5.613791488e-01 -1.840626440e+00 -1.490858593e+00 -7.076046874e-01 -1.920057407e+00 -1.553304503e+00 2.00 -7.315565847e-01 -1.461848072e+00 -8.451416099e-01 -6.846673497e-01 -6.376423823e-01 -1.890576303e+00 -1.594689459e+00 -7.128145517e-01 -1.965254673e+00 -1.594157454e+00 2.02 -7.008264780e-01 -1.530709651e+00 -9.920645778e-01 -6.769731944e-01 -6.531413573e-01 -1.936822755e+00 -1.691757725e+00 -7.178052005e-01 -2.019007917e+00 -1.600338449e+00 2.04 -6.463968567e-01 -1.593303741e+00 -1.130364970e+00 -6.482579395e-01 -6.504514795e-01 -1.979574337e+00 -1.782437736e+00 -7.541654896e-01 -2.068774923e+00 -1.597550985e+00 2.06 -6.345564626e-01 -1.656579243e+00 -1.260493357e+00 -6.565918760e-01 -6.792838139e-01 -2.019027658e+00 -1.867083011e+00 -8.566873537e-01 -2.114634039e+00 -1.613473215e+00 2.08 -7.204140987e-01 -1.725675618e+00 -1.382876500e+00 -7.495200420e-01 -7.794036182e-01 -2.055368120e+00 -1.944923839e+00 -9.834552520e-01 -2.156812887e+00 -1.668901927e+00 2.10 -8.523611009e-01 -1.795301179e+00 -1.475488599e+00 -8.798075818e-01 -9.079868258e-01 -2.050129172e+00 -1.999397180e+00 -1.103075954e+00 -2.184338603e+00 -1.741459352e+00 2.12 -9.770581428e-01 -1.860335448e+00 -1.510689931e+00 -9.986511128e-01 -1.020847400e+00 -1.950820437e+00 -2.029582286e+00 -1.215905114e+00 -2.167829260e+00 -1.809224050e+00 2.14 -1.094859182e+00 -1.921022710e+00 -1.505876490e+00 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