# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Zhou-X-W-Jones-R-E-Chu-K--In-Ga-N # implementation = 2017--Zhou-X-W--In-Ga-N--LAMMPS--ipr1 # composition = Ga3In # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 2.703723901e+02 nan nan 1.16 2.505214716e+02 nan nan 1.18 2.321979199e+02 nan nan 1.20 2.152725153e+02 nan nan 1.22 1.996258149e+02 nan nan 1.24 1.851487391e+02 2.731316596e+02 nan 1.26 1.717426686e+02 2.546239375e+02 nan 1.28 1.593188270e+02 2.374321215e+02 2.682125229e+02 1.30 1.477972529e+02 2.214559510e+02 2.505555910e+02 1.32 1.371057131e+02 2.066013645e+02 2.341249461e+02 1.34 1.271788543e+02 1.927802756e+02 2.188236931e+02 1.36 1.179576277e+02 1.799105575e+02 2.045618467e+02 1.38 1.093887794e+02 1.679161436e+02 1.912568584e+02 1.40 1.014243613e+02 1.567272472e+02 1.788339701e+02 1.42 9.402106971e+01 1.462805662e+02 1.672260254e+02 1.44 8.713950151e+01 1.365194328e+02 1.563728568e+02 1.46 8.074337890e+01 1.273936111e+02 1.462203310e+02 1.48 7.479884730e+01 1.188587850e+02 1.367193344e+02 1.50 6.927395366e+01 1.108756839e+02 1.278248866e+02 1.52 6.413834342e+01 1.034090388e+02 1.194955368e+02 1.54 5.936317805e+01 9.642652798e+01 1.116929747e+02 1.56 5.492122700e+01 8.989791798e+01 1.043818661e+02 1.58 5.078707252e+01 8.379449732e+01 9.752973283e+01 1.60 4.693727268e+01 7.808877623e+01 9.110688659e+01 1.62 4.335045034e+01 7.275447072e+01 8.508622278e+01 1.64 4.000724017e+01 6.776660367e+01 7.944296578e+01 1.66 3.689011046e+01 6.310166602e+01 7.415432484e+01 1.68 3.398312051e+01 5.873775189e+01 6.919909975e+01 1.70 3.127167089e+01 5.465463842e+01 6.455728836e+01 1.72 2.874230293e+01 5.083373771e+01 6.020978616e+01 1.74 2.638257524e+01 4.725798004e+01 5.613814094e+01 1.76 2.418100829e+01 4.391162621e+01 5.232447069e+01 1.78 2.212707565e+01 4.078004021e+01 4.875147579e+01 1.80 2.021118909e+01 3.784946859e+01 4.540257419e+01 1.82 1.842465740e+01 3.510687025e+01 4.226205829e+01 1.84 1.675961263e+01 3.253979037e+01 3.931527275e+01 1.86 1.520889054e+01 3.013631651e+01 3.654874407e+01 1.88 1.376589585e+01 2.788509432e+01 3.395025217e+01 1.90 1.242446329e+01 2.577539071e+01 3.150880175e+01 1.92 1.117874293e+01 2.379717044e+01 2.921455938e+01 1.94 1.002310849e+01 2.194116162e+01 2.705869499e+01 1.96 8.952106597e+00 2.019889604e+01 2.503323508e+01 1.98 7.960424726e+00 1.856270582e+01 2.313088819e+01 2.00 7.042911852e+00 1.702569577e+01 2.134489664e+01 2.02 6.194586534e+00 1.558167325e+01 1.966892116e+01 2.04 5.410661481e+00 1.422507379e+01 1.809694053e+01 2.06 4.686591030e+00 1.295089038e+01 1.662320823e+01 2.08 4.018083523e+00 1.175459500e+01 1.524220652e+01 2.10 3.401134112e+00 1.063208340e+01 1.394864057e+01 2.12 2.832034732e+00 9.579625019e+00 1.273743540e+01 2.14 2.307382511e+00 8.593825301e+00 1.160374400e+01 2.16 1.824072443e+00 7.671575886e+00 1.054295453e+01 2.18 1.379293100e+00 6.810028945e+00 9.550696889e+00 2.20 9.705010457e-01 6.006539499e+00 8.622846714e+00 2.22 5.953976663e-01 5.258620920e+00 7.755516726e+00 2.24 2.518949796e-01 4.563894119e+00 6.945047010e+00 2.26 -6.191251858e-02 3.920039411e+00 6.187990739e+00 2.28 -3.477855295e-01 3.324747720e+00 5.481091751e+00 2.30 -6.073728026e-01 2.775693027e+00 4.821279348e+00 2.32 -8.422407110e-01 2.270501343e+00 4.205643109e+00 2.34 -1.053899149e+00 1.806741935e+00 3.631440807e+00 2.36 -1.243822003e+00 1.381920949e+00 3.096089069e+00 2.38 -1.413461857e+00 9.935054217e-01 2.597171511e+00 2.40 -1.564258551e+00 6.389375022e-01 2.132446322e+00 2.42 -1.697641679e+00 3.156614718e-01 1.699853198e+00 2.44 -1.815029363e+00 2.116788540e-02 1.297516201e+00 2.46 -1.917818497e+00 -2.469744929e-01 9.237422367e-01 2.48 -2.007375536e+00 -4.910834886e-01 5.770105202e-01 2.50 -2.085022154e+00 -7.133305566e-01 2.559528444e-01 2.52 -2.152018924e+00 -9.157150599e-01 -4.066775100e-02 2.54 -2.209554740e+00 -1.100046422e+00 -3.139894505e-01 2.56 -2.258724343e+00 -1.267935147e+00 -5.650827029e-01 2.58 -2.300522456e+00 -1.420792928e+00 -7.949806079e-01 2.60 -2.335836288e+00 -1.559841238e+00 -1.004710465e+00 2.62 -2.365436476e+00 -1.686126919e+00 -1.195309300e+00 2.64 -2.389981627e+00 -1.800545586e+00 -1.367843687e+00 2.66 -2.410022064e+00 -1.903865534e+00 -1.523414821e+00 2.68 -2.426008914e+00 -1.996754234e+00 -1.663157194e+00 2.70 -2.438306457e+00 -2.079806517e+00 -1.788230312e+00 2.72 -2.447206184e+00 -2.153571305e+00 -1.899803913e+00 2.74 -2.452943893e+00 -2.218568203e+00 -1.999043543e+00 2.76 -2.455711858e+00 -2.275308298e+00 -2.087084911e+00 2.78 -2.455675055e+00 -2.324305103e+00 -2.165018906e+00 2.80 -2.452982127e+00 -2.366081718e+00 -2.233871913e+00 2.82 -2.447774588e+00 -2.401173341e+00 -2.294591715e+00 2.84 -2.440193212e+00 -2.430125595e+00 -2.348035175e+00 2.86 -2.430381740e+00 -2.453489594e+00 -2.394962777e+00 2.88 -2.418488216e+00 -2.471814548e+00 -2.436036288e+00 2.90 -2.404664460e+00 -2.485638950e+00 -2.471820916e+00 2.92 -2.389064173e+00 -2.495481171e+00 -2.502790977e+00 2.94 -2.371840271e+00 -2.501830412e+00 -2.529338358e+00 2.96 -2.353141214e+00 -2.505138446e+00 -2.551782852e+00 2.98 -2.333111456e+00 -2.505813962e+00 -2.570383502e+00 3.00 -2.311883490e+00 -2.504216683e+00 -2.585350194e+00 3.02 -2.289579773e+00 -2.500655498e+00 -2.596853694e+00 3.04 -2.266312834e+00 -2.495390200e+00 -2.605040393e+00 3.06 -2.242180473e+00 -2.488629391e+00 -2.610035362e+00 3.08 -2.217269293e+00 -2.480537056e+00 -2.611952324e+00 3.10 -2.191654228e+00 -2.471236509e+00 -2.610901268e+00 3.12 -2.165399500e+00 -2.460816252e+00 -2.606992370e+00 3.14 -2.138559742e+00 -2.449336351e+00 -2.600339660e+00 3.16 -2.111181236e+00 -2.436833630e+00 -2.591063608e+00 3.18 -2.083303123e+00 -2.423333486e+00 -2.579292730e+00 3.20 -2.054958521e+00 -2.408845907e+00 -2.565164389e+00 3.22 -2.026175521e+00 -2.393377802e+00 -2.548824878e+00 3.24 -1.996976949e+00 -2.376934630e+00 -2.530428902e+00 3.26 -1.967385752e+00 -2.359523429e+00 -2.510138524e+00 3.28 -1.937417457e+00 -2.341154886e+00 -2.488121682e+00 3.30 -1.907086835e+00 -2.321844604e+00 -2.464550325e+00 3.32 -1.876406244e+00 -2.301613629e+00 -2.439598273e+00 3.34 -1.845385897e+00 -2.280488407e+00 -2.413438883e+00 3.36 -1.814034077e+00 -2.258500293e+00 -2.386242586e+00 3.38 -1.782357400e+00 -2.235684810e+00 -2.358174500e+00 3.40 -1.750361058e+00 -2.212080509e+00 -2.329392090e+00 3.42 -1.718049027e+00 -2.187728840e+00 -2.300042752e+00 3.44 -1.685425244e+00 -2.162671738e+00 -2.270263551e+00 3.46 -1.652492890e+00 -2.136951817e+00 -2.240177314e+00 3.48 -1.619255938e+00 -2.110611264e+00 -2.209893555e+00 3.50 -1.585719606e+00 -2.083691186e+00 -2.179506377e+00 3.52 -1.551891089e+00 -2.056231099e+00 -2.149099058e+00 3.54 -1.517780401e+00 -2.028267784e+00 -2.118736601e+00 3.56 -1.483401148e+00 -1.999838453e+00 -2.088472510e+00 3.58 -1.448771315e+00 -1.970974938e+00 -2.058348042e+00 3.60 -1.413913968e+00 -1.941707976e+00 -2.028393519e+00 3.62 -1.378857837e+00 -1.912066032e+00 -1.998629796e+00 3.64 -1.343637745e+00 -1.882075448e+00 -1.969069783e+00 3.66 -1.308294878e+00 -1.851760687e+00 -1.939719977e+00 3.68 -1.272876815e+00 -1.821144606e+00 -1.910581907e+00 3.70 -1.237437335e+00 -1.790247705e+00 -1.881653482e+00 3.72 -1.202035984e+00 -1.759093293e+00 -1.852930146e+00 3.74 -1.166737415e+00 -1.727699775e+00 -1.824405870e+00 3.76 -1.131610083e+00 -1.696087216e+00 -1.796073938e+00 3.78 -1.096726840e+00 -1.664275892e+00 -1.767927529e+00 3.80 -1.062160844e+00 -1.632286656e+00 -1.739960134e+00 3.82 -1.027986252e+00 -1.600141289e+00 -1.712165787e+00 3.84 -9.942761440e-01 -1.567862791e+00 -1.684539172e+00 3.86 -9.611009868e-01 -1.535475595e+00 -1.657075573e+00 3.88 -9.285271837e-01 -1.503005768e+00 -1.629770811e+00 3.90 -8.966156608e-01 -1.470481058e+00 -1.602621017e+00 3.92 -8.654206399e-01 -1.437930916e+00 -1.575621780e+00 3.94 -8.349885639e-01 -1.405386409e+00 -1.548770839e+00 3.96 -8.053570724e-01 -1.372880043e+00 -1.522062983e+00 3.98 -7.765552360e-01 -1.340445500e+00 -1.495493464e+00 4.00 -7.486019107e-01 -1.308117307e+00 -1.469056753e+00 4.02 -7.215066827e-01 -1.275930431e+00 -1.442746370e+00 4.04 -6.952698245e-01 -1.243919828e+00 -1.416554775e+00 4.06 -6.698827778e-01 -1.212119949e+00 -1.390473266e+00 4.08 -6.453288609e-01 -1.180564219e+00 -1.364491940e+00 4.10 -6.215841834e-01 -1.149284546e+00 -1.338599715e+00 4.12 -5.986186921e-01 -1.118310826e+00 -1.312784377e+00 4.14 -5.763973279e-01 -1.087670487e+00 -1.287032664e+00 4.16 -5.548812599e-01 -1.057388109e+00 -1.261330428e+00 4.18 -5.340291274e-01 -1.027485104e+00 -1.235662813e+00 4.20 -5.137982636e-01 -9.979792175e-01 -1.210014498e+00 4.22 -4.941458396e-01 -9.688855853e-01 -1.184369942e+00 4.24 -4.750299663e-01 -9.402147475e-01 -1.158713702e+00 4.26 -4.564106193e-01 -9.119741648e-01 -1.133030771e+00 4.28 -4.382504738e-01 -8.841679730e-01 -1.107306457e+00 4.30 -4.205155661e-01 -8.567972650e-01 -1.081528780e+00 4.32 -4.031758201e-01 -8.298604292e-01 -1.055685529e+00 4.34 -3.862054056e-01 -8.033535626e-01 -1.029767124e+00 4.36 -3.695829624e-01 -7.772709627e-01 -1.003766312e+00 4.38 -3.532916736e-01 -7.516056111e-01 -9.776784950e-01 4.40 -3.373192249e-01 -7.263497188e-01 -9.515020943e-01 4.42 -3.216576479e-01 -7.014952442e-01 -9.252388430e-01 4.44 -3.063030703e-01 -6.770344064e-01 -8.988940501e-01 4.46 -2.912553855e-01 -6.529601501e-01 -8.724767891e-01 4.48 -2.765178676e-01 -6.292665804e-01 -8.460000518e-01 4.50 -2.620967369e-01 -6.059493201e-01 -8.194808127e-01 4.52 -2.480006959e-01 -5.830057985e-01 -7.929400207e-01 4.54 -2.342404481e-01 -5.604354673e-01 -7.664025231e-01 4.56 -2.208282154e-01 -5.382399258e-01 -7.398968971e-01 4.58 -2.077772603e-01 -5.164229790e-01 -7.134552302e-01 4.60 -1.951014184e-01 -4.949905913e-01 -6.871127864e-01 4.62 -1.828146604e-01 -4.739507765e-01 -6.609076270e-01 4.64 -1.709306785e-01 -4.533134315e-01 -6.348801856e-01 4.66 -1.594625076e-01 -4.330900773e-01 -6.090727434e-01 4.68 -1.484221843e-01 -4.132935847e-01 -5.835289152e-01 4.70 -1.378204457e-01 -3.939378366e-01 -5.582930681e-01 4.72 -1.276664716e-01 -3.750373699e-01 -5.334097340e-01 4.74 -1.179676700e-01 -3.566070128e-01 -5.089230312e-01 4.76 -1.087295065e-01 -3.386615013e-01 -4.848760732e-01 4.78 -9.995537888e-02 -3.212151200e-01 -4.613104205e-01 4.80 -9.164653503e-02 -3.042813477e-01 -4.382655491e-01 4.82 -8.380203179e-02 -2.878725446e-01 -4.157783851e-01 4.84 -7.641873544e-02 -2.719996610e-01 -3.938827122e-01 4.86 -6.949135981e-02 -2.566719949e-01 -3.726095148e-01 4.88 -6.301253877e-02 -2.418969916e-01 -3.519855593e-01 4.90 -5.697293117e-02 -2.276800922e-01 -3.320339932e-01 4.92 -5.136135139e-02 -2.140246306e-01 -3.127739758e-01 4.94 -4.616429247e-02 -2.009317769e-01 -2.942206051e-01 4.96 -4.136885486e-02 -1.884005309e-01 -2.763849181e-01 4.98 -3.695841708e-02 -1.764277546e-01 -2.592739542e-01 5.00 -3.291617877e-02 -1.650082464e-01 -2.428908800e-01 5.02 -2.922442224e-02 -1.541348482e-01 -2.272351665e-01 5.04 -2.586472485e-02 -1.437985817e-01 -2.123028122e-01 5.06 -2.281816890e-02 -1.339888070e-01 -1.980866027e-01 5.08 -2.006554531e-02 -1.246933981e-01 -1.845763965e-01 5.10 -1.758754817e-02 -1.158989297e-01 -1.717594321e-01 5.12 -1.536495736e-02 -1.075908698e-01 -1.596206449e-01 5.14 -1.337880663e-02 -9.975377194e-02 -1.481429862e-01 5.16 -1.161053526e-02 -9.237146446e-02 -1.373077389e-01 5.18 -1.004212225e-02 -8.542723109e-02 -1.270948219e-01 5.20 -8.656201772e-03 -7.890398113e-02 -1.174830805e-01 5.22 -7.436159660e-03 -7.278440494e-02 -1.084505537e-01 5.24 -6.366210836e-03 -6.705080009e-02 -9.997472295e-02 5.26 -5.431458537e-03 -6.168655926e-02 -9.203273320e-02 5.28 -4.617935537e-03 -5.667405047e-02 -8.460158923e-02 5.30 -3.912628856e-03 -5.199634578e-02 -7.765832650e-02 5.32 -3.303489388e-03 -4.763683648e-02 -7.118015571e-02 5.34 -2.779427598e-03 -4.357929461e-02 -6.514458467e-02 5.36 -2.330297347e-03 -3.980792049e-02 -5.952951753e-02 5.38 -1.946869336e-03 -3.630737721e-02 -5.431333299e-02 5.40 -1.620795913e-03 -3.306281557e-02 -4.947494653e-02 5.42 -1.344569061e-03 -3.005988897e-02 -4.499385555e-02 5.44 -1.111473043e-03 -2.728476162e-02 -4.085017277e-02 5.46 -9.155333757e-04 -2.472411058e-02 -3.702464849e-02 5.48 -7.514634023e-04 -2.236512334e-02 -3.349868419e-02 5.50 -6.146097531e-04 -2.019549176e-02 -3.025433910e-02 5.52 -5.008978379e-04 -1.820340545e-02 -2.727433409e-02 5.54 -4.067781889e-04 -1.637754176e-02 -2.454204900e-02 5.56 -3.291745144e-04 -1.470705672e-02 -2.204151978e-02 5.58 -2.654340249e-04 -1.318157516e-02 -1.975743322e-02 5.60 -2.132805011e-04 -1.179118141e-02 -1.767512121e-02 5.62 -1.707704561e-04 -1.052641025e-02 -1.578055422e-02 5.64 -1.362525725e-04 -9.378238565e-03 -1.406033497e-02 5.66 -1.083305422e-04 -8.338077307e-03 -1.250169156e-02 5.68 -8.582932274e-05 -7.397764061e-03 -1.109247074e-02 5.70 -6.776474360e-05 -6.549555724e-03 -9.821130749e-03 5.72 -5.331635972e-05 -5.786121368e-03 -8.676733685e-03 5.74 -4.180337922e-05 -5.100535039e-03 -7.648937397e-03 5.76 -3.266348645e-05 -4.486268108e-03 -6.727986198e-03 5.78 -2.543433201e-05 -3.937181361e-03 -5.904700812e-03 5.80 -1.973747257e-05 -3.447516434e-03 -5.170467034e-03 5.82 -1.526452212e-05 -3.011886528e-03 -4.517223029e-03 5.84 -1.176529149e-05 -2.625266354e-03 -3.937445252e-03 5.86 -9.037692945e-06 -2.282981320e-03 -3.424133046e-03 5.88 -6.919196935e-06 -1.980527828e-03 -2.970791741e-03 5.90 -5.279648624e-06 -1.714276385e-03 -2.571414578e-03 5.92 -4.015260462e-06 -1.480308867e-03 -2.220463301e-03 5.94 -3.043617029e-06 -1.275231853e-03 -1.912847779e-03 5.96 -2.299546608e-06 -1.095936481e-03 -1.643904721e-03 5.98 -1.731723890e-06 -9.395837825e-04 -1.409375674e-03 6.00 -1.299892995e-06 -8.035896997e-04 -1.205384550e-03