# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--Ga-N # implementation = 2009--Do-E-C--Ga-N--LAMMPS--ipr1 # composition = Ga # 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 1.520370360e+02 nan nan nan nan 0.68 nan nan nan nan nan 1.438716636e+02 nan nan nan nan 0.70 nan nan nan nan nan 1.361012296e+02 nan nan 1.877836852e+02 nan 0.72 nan nan nan nan nan 1.287078456e+02 nan nan 1.768809295e+02 nan 0.74 nan nan nan nan nan 1.216743941e+02 nan nan 1.665623983e+02 nan 0.76 nan nan nan nan nan 1.149844970e+02 nan nan 1.567981532e+02 nan 0.78 nan 3.639068793e+02 nan nan nan 1.086224842e+02 1.958574482e+02 nan 1.475597477e+02 1.829814742e+02 0.80 nan 3.431617653e+02 nan nan nan 1.025733651e+02 1.851093387e+02 nan 1.388201536e+02 1.732832130e+02 0.82 nan 3.235323480e+02 nan nan nan 9.682279964e+01 1.749032239e+02 nan 1.305536919e+02 1.640525210e+02 0.84 nan 3.049608815e+02 2.915520648e+02 nan nan 9.135707147e+01 1.652131168e+02 nan 1.227359663e+02 1.552682029e+02 0.86 3.537461256e+02 2.873925229e+02 2.762607292e+02 3.537442116e+02 3.537422977e+02 8.616306195e+01 1.560142344e+02 3.387108437e+02 1.153438003e+02 1.469099799e+02 0.88 3.359576430e+02 2.707751893e+02 2.617161330e+02 3.359556941e+02 3.359537453e+02 8.122822519e+01 1.472829432e+02 3.212779855e+02 1.083551778e+02 1.389584508e+02 0.90 3.190047487e+02 2.550594221e+02 2.478835269e+02 3.190027645e+02 3.190007802e+02 7.654056400e+01 1.389967072e+02 3.046830006e+02 1.017491852e+02 1.313950558e+02 0.92 3.028500700e+02 2.401982574e+02 2.347297175e+02 3.028480498e+02 3.028460296e+02 7.208860699e+01 1.311340380e+02 2.888875266e+02 9.550595819e+01 1.242020417e+02 0.94 2.874578377e+02 2.261471034e+02 2.222229996e+02 2.874557810e+02 2.874537243e+02 6.786138646e+01 1.236744470e+02 2.738548880e+02 8.960662950e+01 1.173624278e+02 0.96 2.727938206e+02 2.128636228e+02 2.103330920e+02 2.727917269e+02 2.727896332e+02 6.384841727e+01 1.165984004e+02 2.595500249e+02 8.403328025e+01 1.108599738e+02 0.98 2.588252616e+02 2.003076218e+02 1.990310749e+02 2.588231303e+02 2.588209991e+02 6.003967650e+01 1.098872758e+02 2.459394243e+02 7.876889312e+01 1.046791491e+02 1.00 2.455208160e+02 1.884409441e+02 1.882893317e+02 2.455186466e+02 2.455164772e+02 5.642558398e+01 1.035233204e+02 2.329910537e+02 7.379730802e+01 9.880510235e+01 1.02 2.328504933e+02 1.772273701e+02 1.780814912e+02 2.328482852e+02 2.328460771e+02 5.299698359e+01 9.748961150e+01 2.206742987e+02 6.910317990e+01 9.322363372e+01 1.04 2.207856004e+02 1.666325209e+02 1.683823738e+02 2.207833531e+02 2.207811058e+02 4.974512535e+01 9.177001911e+01 2.089599017e+02 6.467193853e+01 8.792116701e+01 1.06 2.092986879e+02 1.566237673e+02 1.591679397e+02 2.092964009e+02 2.092941138e+02 4.666164819e+01 8.634916935e+01 1.978199041e+02 6.048975031e+01 8.288472357e+01 1.08 1.983634981e+02 1.471701428e+02 1.504152385e+02 1.983611707e+02 1.983588432e+02 4.373856348e+01 8.121241020e+01 1.872275911e+02 5.654348195e+01 7.810189706e+01 1.10 1.879549148e+02 1.382422613e+02 1.421023617e+02 1.879525464e+02 1.879501780e+02 4.096823918e+01 7.634577850e+01 1.771574375e+02 5.282066584e+01 7.356082932e+01 1.12 1.780489158e+02 1.298122383e+02 1.342083972e+02 1.780465060e+02 1.780440961e+02 3.834338468e+01 7.173596851e+01 1.675850576e+02 4.930946720e+01 6.925018712e+01 1.14 1.686225274e+02 1.218536165e+02 1.267133855e+02 1.686200754e+02 1.686176235e+02 3.585703624e+01 6.737030182e+01 1.584871552e+02 4.599865278e+01 6.515914000e+01 1.16 1.596537794e+02 1.143412947e+02 1.195982776e+02 1.596512848e+02 1.596487903e+02 3.350254303e+01 6.323669867e+01 1.498414776e+02 4.287756107e+01 6.127733888e+01 1.18 1.511216640e+02 1.072514599e+02 1.128448951e+02 1.511191262e+02 1.511165885e+02 3.127355375e+01 5.932365056e+01 1.416267700e+02 3.993607399e+01 5.759489561e+01 1.20 1.430060945e+02 1.005615236e+02 1.064358920e+02 1.430035130e+02 1.430009314e+02 2.916400377e+01 5.562019403e+01 1.338227326e+02 3.716458999e+01 5.410236335e+01 1.22 1.352878669e+02 9.425006001e+01 1.003547175e+02 1.352852409e+02 1.352826150e+02 2.716810289e+01 5.211588565e+01 1.264099792e+02 3.455399837e+01 5.079071778e+01 1.24 1.279486222e+02 8.829674850e+01 9.458558121e+01 1.279459514e+02 1.279432805e+02 2.528032347e+01 4.880077820e+01 1.193699980e+02 3.209565494e+01 4.765133902e+01 1.26 1.209708113e+02 8.268231795e+01 8.911341953e+01 1.209680949e+02 1.209653785e+02 2.349538914e+01 4.566539780e+01 1.126851131e+02 2.978135885e+01 4.467599433e+01 1.28 1.143376599e+02 7.738849427e+01 8.392386314e+01 1.143348974e+02 1.143321349e+02 2.180826400e+01 4.270072215e+01 1.063384486e+02 2.760333050e+01 4.185682156e+01 1.30 1.080331363e+02 7.239795040e+01 7.900320643e+01 1.080303272e+02 1.080275180e+02 2.021414216e+01 3.989815975e+01 1.003138938e+02 2.555419059e+01 3.918631317e+01 1.32 1.020419196e+02 6.769425869e+01 7.433837787e+01 1.020390632e+02 1.020362068e+02 1.870843784e+01 3.724953003e+01 9.459606964e+01 2.362694014e+01 3.665730108e+01 1.34 9.634936939e+01 6.326184572e+01 6.991691188e+01 9.634646516e+01 9.634356093e+01 1.728677578e+01 3.474704437e+01 8.917029697e+01 2.181494158e+01 3.426294193e+01 1.36 9.094149671e+01 5.908594931e+01 6.572692172e+01 9.093854407e+01 9.093559143e+01 1.594498209e+01 3.238328798e+01 8.402256587e+01 2.011190061e+01 3.199670319e+01 1.38 8.580493646e+01 5.515257755e+01 6.175707370e+01 8.580193484e+01 8.579893322e+01 1.467907551e+01 3.015120267e+01 7.913950640e+01 1.851184910e+01 2.985234962e+01 1.40 8.092692059e+01 5.144847001e+01 5.799656246e+01 8.092386942e+01 8.092081825e+01 1.348525900e+01 2.804407024e+01 7.450836054e+01 1.700912875e+01 2.782393047e+01 1.42 7.629525254e+01 4.796106070e+01 5.443508726e+01 7.629215125e+01 7.628904996e+01 1.235991166e+01 2.605549679e+01 7.011695532e+01 1.559837556e+01 2.590576710e+01 1.44 7.189828276e+01 4.467844298e+01 5.106282940e+01 7.189513078e+01 7.189197881e+01 1.129958104e+01 2.417939763e+01 6.595367712e+01 1.427450504e+01 2.409244116e+01 1.46 6.772488516e+01 4.158933609e+01 4.787043052e+01 6.772168194e+01 6.771847872e+01 1.030097576e+01 2.240998292e+01 6.200744700e+01 1.303269821e+01 2.237878328e+01 1.48 6.376443466e+01 3.868305344e+01 4.484897193e+01 6.376117964e+01 6.375792462e+01 9.360958388e+00 2.074174393e+01 5.826769713e+01 1.186838824e+01 2.075986215e+01 1.50 6.000678554e+01 3.594947236e+01 4.198995477e+01 6.000347817e+01 6.000017079e+01 8.476538699e+00 1.916943997e+01 5.472434823e+01 1.077724771e+01 1.923097421e+01 1.52 5.644225076e+01 3.337900544e+01 3.928528105e+01 5.643889049e+01 5.643553022e+01 7.644867157e+00 1.768808585e+01 5.136778790e+01 9.755176604e+00 1.778763357e+01 1.54 5.306158216e+01 3.096257323e+01 3.672723556e+01 5.305816845e+01 5.305475474e+01 6.863228703e+00 1.629293994e+01 4.818884996e+01 8.798290769e+00 1.642556254e+01 1.56 4.985595136e+01 2.869157830e+01 3.430846853e+01 4.985248369e+01 4.984901601e+01 6.129036787e+00 1.497949280e+01 4.517879462e+01 7.902911034e+00 1.514068245e+01 1.58 4.681693166e+01 2.655788062e+01 3.202197902e+01 4.681340950e+01 4.680988733e+01 5.439827667e+00 1.374345629e+01 4.232928952e+01 7.065552824e+00 1.392910489e+01 1.60 4.393648050e+01 2.455377411e+01 2.986109912e+01 4.393290333e+01 4.392932615e+01 4.793254944e+00 1.258075317e+01 3.963239156e+01 6.282916291e+00 1.278712328e+01 1.62 4.120692275e+01 2.267196440e+01 2.781947876e+01 4.120329006e+01 4.119965738e+01 4.187084331e+00 1.148750718e+01 3.708052952e+01 5.551876938e+00 1.171120490e+01 1.64 3.862093470e+01 2.090554768e+01 2.589107124e+01 3.861724600e+01 3.861355731e+01 3.619188639e+00 1.046003363e+01 3.466648747e+01 4.869476699e+00 1.069798310e+01 1.66 3.617152869e+01 1.924799058e+01 2.407011934e+01 3.616778350e+01 3.616403832e+01 3.087542988e+00 9.494830297e+00 3.238338882e+01 4.232915465e+00 9.744250007e+00 1.68 3.385203841e+01 1.769311111e+01 2.235114214e+01 3.384823626e+01 3.384443411e+01 2.590220213e+00 8.588568875e+00 3.022468108e+01 3.639543027e+00 8.846949397e+00 1.70 3.165610480e+01 1.623506049e+01 2.072892230e+01 3.165224522e+01 3.164838565e+01 2.125386471e+00 7.738086708e+00 2.818412134e+01 3.086851414e+00 8.003169970e+00 1.72 2.957766254e+01 1.486830594e+01 1.919849400e+01 2.957374510e+01 2.956982765e+01 1.691297039e+00 6.940378957e+00 2.625576225e+01 2.572467618e+00 7.210138864e+00 1.74 2.761092716e+01 1.358761428e+01 1.775513132e+01 2.760695141e+01 2.760297567e+01 1.286292285e+00 6.192591111e+00 2.443393875e+01 2.094146676e+00 6.465215450e+00 1.76 2.575038260e+01 1.238803640e+01 1.639433725e+01 2.574634814e+01 2.574231368e+01 9.087938221e-01 5.492011843e+00 2.271325530e+01 1.649765093e+00 5.765885406e+00 1.78 2.399076940e+01 1.126489248e+01 1.511183309e+01 2.398667583e+01 2.398258225e+01 5.573008198e-01 4.836066185e+00 2.108857361e+01 1.237314594e+00 5.109755030e+00 1.80 2.232707331e+01 1.021375796e+01 1.390354834e+01 2.232292025e+01 2.231876718e+01 2.303864844e-01 4.222309036e+00 1.955500105e+01 8.548961917e-01 4.494545809e+00 1.82 2.075451444e+01 9.230450218e+00 1.276561110e+01 2.075030152e+01 2.074608860e+01 -7.330531707e-02 3.648418944e+00 1.810787940e+01 5.007145411e-01 3.918089205e+00 1.84 1.926853682e+01 8.311015921e+00 1.169433879e+01 1.926426371e+01 1.925999060e+01 -3.550632790e-01 3.112192195e+00 1.674277425e+01 1.730725814e-01 3.378321685e+00 1.86 1.786479845e+01 7.451719006e+00 1.068622938e+01 1.786046483e+01 1.785613121e+01 -6.161117439e-01 2.611537162e+00 1.545546469e+01 -1.296335571e-01 2.873279949e+00 1.88 1.653916174e+01 6.649029275e+00 9.737952997e+00 1.653476732e+01 1.653037290e+01 -8.576136504e-01 2.144468920e+00 1.424193364e+01 -4.089193894e-01 2.401096371e+00 1.90 1.528768440e+01 5.899611565e+00 8.846343827e+00 1.528322891e+01 1.527877341e+01 -1.080673355e+00 1.709104111e+00 1.309835844e+01 -6.662166718e-01 1.959994638e+00 1.92 1.410661066e+01 5.200315470e+00 8.008392487e+00 1.410209385e+01 1.409757704e+01 -1.286339327e+00 1.303656039e+00 1.202110193e+01 -9.028777673e-01 1.548285572e+00 1.94 1.299236291e+01 4.548165574e+00 7.221238671e+00 1.298778457e+01 1.298320622e+01 -1.475606730e+00 9.264300028e-01 1.100670394e+01 -1.120179791e+00 1.164363140e+00 1.96 1.194153370e+01 3.940352197e+00 6.482164151e+00 1.193689363e+01 1.193225357e+01 -1.649419879e+00 5.758188372e-01 1.005187310e+01 -1.319328548e+00 8.067006331e-01 1.98 1.095087805e+01 3.374222595e+00 5.788586087e+00 1.094617611e+01 1.094147417e+01 -1.808674602e+00 2.502986657e-01 9.153479048e+00 -1.501462272e+00 4.738470143e-01 2.00 1.001730612e+01 2.847272624e+00 5.138050638e+00 1.001254219e+01 1.000777826e+01 -1.954220488e+00 -5.157515215e-02 8.308544979e+00 -1.667655179e+00 1.644234227e-01 2.02 9.137876224e+00 2.357138817e+00 4.528226869e+00 9.133050205e+00 9.128224187e+00 -2.086863033e+00 -3.311718815e-01 7.514240500e+00 -1.818920837e+00 -1.228801650e-01 2.04 8.309788036e+00 1.901590872e+00 3.956900919e+00 8.304899881e+00 8.300011726e+00 -2.207365700e+00 -5.897890956e-01 6.767874827e+00 -1.956215364e+00 -3.893081318e-01 2.06 7.530376233e+00 1.478524530e+00 3.421970451e+00 7.525425927e+00 7.520475621e+00 -2.316451874e+00 -8.286561849e-01 6.066890280e+00 -2.080440475e+00 -6.360422725e-01 2.08 6.797104309e+00 1.085954808e+00 2.921439338e+00 6.792091879e+00 6.787079449e+00 -2.414806741e+00 -1.048937703e+00 5.408856054e+00 -2.192446361e+00 -8.642047160e-01 2.10 6.107558709e+00 7.220095849e-01 2.453412600e+00 6.102484223e+00 6.097409737e+00 -2.503079071e+00 -1.251736557e+00 4.791462285e+00 -2.293034428e+00 -1.074860715e+00 2.12 5.459443193e+00 3.849235230e-01 2.016091569e+00 5.454306764e+00 5.449170335e+00 -2.581882929e+00 -1.438097044e+00 4.212514365e+00 -2.382959899e+00 -1.269021316e+00 2.14 4.850573462e+00 7.303229391e-02 1.607769275e+00 4.845375250e+00 4.840177038e+00 -2.651799300e+00 -1.609007749e+00 3.669927522e+00 -2.462934278e+00 -1.447645907e+00 2.16 4.278872013e+00 -2.152328905e-01 1.226826040e+00 4.273612227e+00 4.268352440e+00 -2.713377648e+00 -1.765404305e+00 3.161721641e+00 -2.533627693e+00 -1.611644659e+00 2.18 3.742363212e+00 -4.813504669e-01 8.717252782e-01 3.737042112e+00 3.731721011e+00 -2.767137395e+00 -1.908172019e+00 2.686016311e+00 -2.595671113e+00 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