# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = MnNi3 # 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 3.436755116e+04 nan nan 1.02 2.705335602e+04 nan nan 1.04 2.139054503e+04 nan nan 1.06 1.698509246e+04 nan nan 1.08 1.354192429e+04 nan nan 1.10 1.083886484e+04 2.806533043e+04 nan 1.12 8.707748584e+03 2.256914916e+04 3.010148751e+04 1.14 7.020647702e+03 1.821591264e+04 2.430069046e+04 1.16 5.679771539e+03 1.475414606e+04 1.968727849e+04 1.18 4.610016083e+03 1.199068145e+04 1.600402286e+04 1.20 3.753440390e+03 9.776466029e+03 1.305243294e+04 1.22 3.065148545e+03 7.995984703e+03 1.067867187e+04 1.24 2.510206831e+03 6.559334999e+03 8.763006589e+03 1.26 2.061321992e+03 5.396262680e+03 7.211867237e+03 1.28 1.697087100e+03 4.451650501e+03 5.951840995e+03 1.30 1.400647501e+03 3.682090295e+03 4.925108533e+03 1.32 1.158684535e+03 3.053269973e+03 4.085962848e+03 1.34 9.606364216e+02 2.537970596e+03 3.398142950e+03 1.36 7.980983691e+02 2.114524291e+03 2.832781015e+03 1.38 6.643599043e+02 1.765624651e+03 2.366818373e+03 1.40 5.540456113e+02 1.477404205e+03 1.981776517e+03 1.42 4.628364793e+02 1.238715472e+03 1.662800150e+03 1.44 3.872523028e+02 1.040569840e+03 1.397910467e+03 1.46 3.244801406e+02 8.756985220e+02 1.177419847e+03 1.48 2.722397534e+02 7.382067599e+02 9.934706489e+02 1.50 2.286778863e+02 6.233010460e+02 8.396717890e+02 1.52 1.922841143e+02 5.270723931e+02 7.108110627e+02 1.54 1.618240243e+02 4.463247520e+02 6.026263036e+02 1.56 1.362864445e+02 3.784382125e+02 5.116227308e+02 1.58 1.148413057e+02 3.212597070e+02 4.349280910e+02 1.60 9.680560393e+01 2.730159088e+02 3.701759597e+02 1.62 8.161575981e+01 2.322426126e+02 3.154121641e+02 1.64 6.880560699e+01 1.977275962e+02 2.690188576e+02 1.66 5.798895848e+01 1.684653094e+02 2.296539403e+02 1.68 4.884528197e+01 1.436199318e+02 1.962017257e+02 1.70 4.110799140e+01 1.224952947e+02 1.677327810e+02 1.72 3.455470515e+01 1.045104750e+02 1.434713371e+02 1.74 2.899961651e+01 8.917985420e+01 1.227682819e+02 1.76 2.428732525e+01 7.609659400e+01 1.050795808e+02 1.78 2.028766228e+01 6.491903257e+01 8.994851130e+01 1.80 1.689145806e+01 5.535984855e+01 7.699100000e+01 1.82 1.400697798e+01 4.717709118e+01 6.588357061e+01 1.84 1.155682313e+01 4.016657151e+01 5.635339316e+01 1.86 9.475608780e+00 3.415574476e+01 4.816965798e+01 1.88 7.708084852e+00 2.899865414e+01 4.113659073e+01 1.90 6.207547877e+00 2.457168472e+01 3.508814764e+01 1.92 4.934508672e+00 2.077002906e+01 2.988331499e+01 1.94 3.855516216e+00 1.750456273e+01 2.540203535e+01 1.96 2.942224173e+00 1.469923793e+01 2.154198072e+01 1.98 2.170522794e+00 1.228899212e+01 1.821596907e+01 2.00 1.519798608e+00 1.021824970e+01 1.534961446e+01 2.02 9.723997263e-01 8.439524113e+00 1.287923203e+01 2.04 5.132326111e-01 6.912204625e+00 1.075019359e+01 2.06 1.294013703e-01 5.601431159e+00 8.915661990e+00 2.08 -1.901138959e-01 4.477304791e+00 7.335452545e+00 2.10 -4.547281693e-01 3.514159821e+00 5.975060445e+00 2.12 -6.724793424e-01 2.689927349e+00 4.804737571e+00 2.14 -8.502197946e-01 1.985620421e+00 3.798820925e+00 2.16 -9.937967706e-01 1.384898902e+00 2.935202342e+00 2.18 -1.108273072e+00 8.737011351e-01 2.194828359e+00 2.20 -1.198017215e+00 4.399318806e-01 1.561279350e+00 2.22 -1.266787735e+00 7.315913496e-02 1.020368656e+00 2.24 -1.317826952e+00 -2.357427488e-01 5.596894855e-01 2.26 -1.353918767e+00 -4.946929296e-01 1.684519357e-01 2.28 -1.377429949e+00 -7.105364682e-01 -1.627021829e-01 2.30 -1.390368284e+00 -8.891920237e-01 -4.418907453e-01 2.32 -1.394435768e+00 -1.035772118e+00 -6.761500488e-01 2.34 -1.391059509e+00 -1.154686196e+00 -8.715510419e-01 2.36 -1.381454964e+00 -1.249781028e+00 -1.033356603e+00 2.38 -1.366677969e+00 -1.324461306e+00 -1.166148500e+00 2.40 -1.347614850e+00 -1.381690512e+00 -1.273898857e+00 2.42 -1.324999220e+00 -1.424040175e+00 -1.360043395e+00 2.44 -1.299459180e+00 -1.453737799e+00 -1.427545552e+00 2.46 -1.271539713e+00 -1.472707851e+00 -1.478951306e+00 2.48 -1.241729242e+00 -1.482606819e+00 -1.516436032e+00 2.50 -1.210485882e+00 -1.484853151e+00 -1.541845265e+00 2.52 -1.178207678e+00 -1.480652804e+00 -1.556807299e+00 2.54 -1.145238264e+00 -1.471021005e+00 -1.562849963e+00 2.56 -1.111873826e+00 -1.456800879e+00 -1.561320029e+00 2.58 -1.078368989e+00 -1.438709784e+00 -1.553393154e+00 2.60 -1.044939179e+00 -1.417397629e+00 -1.540089333e+00 2.62 -1.011763038e+00 -1.393406573e+00 -1.522287194e+00 2.64 -9.789912797e-01 -1.367191109e+00 -1.500750069e+00 2.66 -9.467502349e-01 -1.339187798e+00 -1.476140484e+00 2.68 -9.151442412e-01 -1.309792926e+00 -1.449031489e+00 2.70 -8.842575977e-01 -1.279347548e+00 -1.419916512e+00 2.72 -8.541561439e-01 -1.248130354e+00 -1.389228126e+00 2.74 -8.248885117e-01 -1.216367492e+00 -1.357356289e+00 2.76 -7.964869816e-01 -1.184252413e+00 -1.324640389e+00 2.78 -7.689629034e-01 -1.151950523e+00 -1.291372972e+00 2.80 -7.423060335e-01 -1.119602665e+00 -1.257804461e+00 2.82 -7.164931246e-01 -1.087328078e+00 -1.224147189e+00 2.84 -6.914956617e-01 -1.055226912e+00 -1.190578821e+00 2.86 -6.672868387e-01 -1.023382346e+00 -1.157245241e+00 2.88 -6.438303536e-01 -9.918667658e-01 -1.124262980e+00 2.90 -6.210830741e-01 -9.607529707e-01 -1.091721229e+00 2.92 -5.990202506e-01 -9.301067741e-01 -1.059683505e+00 2.94 -5.776212155e-01 -8.999860377e-01 -1.028189001e+00 2.96 -5.568633257e-01 -8.704416510e-01 -9.972545164e-01 2.98 -5.367294527e-01 -8.415183342e-01 -9.669053268e-01 3.00 -5.172106581e-01 -8.132552865e-01 -9.371815215e-01 3.02 -4.982981322e-01 -7.856866995e-01 -9.081051418e-01 3.04 -4.799836711e-01 -7.588421503e-01 -8.796921138e-01 3.06 -4.622596806e-01 -7.327468920e-01 -8.519540994e-01 3.08 -4.451190534e-01 -7.074220514e-01 -8.248990286e-01 3.10 -4.285550180e-01 -6.828847466e-01 -7.985315218e-01 3.12 -4.125609654e-01 -6.591481347e-01 -7.728532137e-01 3.14 -3.971302549e-01 -6.362213963e-01 -7.478629910e-01 3.16 -3.822560021e-01 -6.141096169e-01 -7.235571541e-01 3.18 -3.679308512e-01 -5.928103933e-01 -6.999295127e-01 3.20 -3.541467348e-01 -5.723122476e-01 -6.769714215e-01 3.22 -3.408946210e-01 -5.525999580e-01 -6.546717651e-01 3.24 -3.281642509e-01 -5.336548069e-01 -6.330168962e-01 3.26 -3.159438674e-01 -5.154542623e-01 -6.119905342e-01 3.28 -3.042199361e-01 -4.979716320e-01 -5.915736278e-01 3.30 -2.929768598e-01 -4.811756966e-01 -5.717441868e-01 3.32 -2.821987886e-01 -4.650331343e-01 -5.524812874e-01 3.34 -2.718762383e-01 -4.495173714e-01 -5.337786823e-01 3.36 -2.620006026e-01 -4.346012185e-01 -5.156341822e-01 3.38 -2.525619943e-01 -4.202539541e-01 -4.980456853e-01 3.40 -2.435490354e-01 -4.064410096e-01 -4.810110946e-01 3.42 -2.349486461e-01 -3.931236445e-01 -4.645282211e-01 3.44 -2.267458301e-01 -3.802586123e-01 -4.485946745e-01 3.46 -2.189234590e-01 -3.677999492e-01 -4.332077416e-01 3.48 -2.114620547e-01 -3.557227626e-01 -4.183642552e-01 3.50 -2.043395706e-01 -3.440180082e-01 -4.040604542e-01 3.52 -1.975311717e-01 -3.326775207e-01 -3.902918360e-01 3.54 -1.910097797e-01 -3.216936942e-01 -3.770530016e-01 3.56 -1.847566922e-01 -3.110594284e-01 -3.643374953e-01 3.58 -1.787603913e-01 -3.007680711e-01 -3.521376393e-01 3.60 -1.730088546e-01 -2.908133582e-01 -3.404443629e-01 3.62 -1.674892738e-01 -2.811893500e-01 -3.292470283e-01 3.64 -1.621879732e-01 -2.718903660e-01 -3.185332532e-01 3.66 -1.570903274e-01 -2.629109176e-01 -3.082883292e-01 3.68 -1.521819860e-01 -2.542456384e-01 -2.984935147e-01 3.70 -1.474539530e-01 -2.458892138e-01 -2.891274632e-01 3.72 -1.428989255e-01 -2.378363092e-01 -2.801667091e-01 3.74 -1.385096085e-01 -2.300814966e-01 -2.715854627e-01 3.76 -1.342786904e-01 -2.226191810e-01 -2.633554042e-01 3.78 -1.301988191e-01 -2.154435251e-01 -2.554454765e-01 3.80 -1.262625784e-01 -2.085483749e-01 -2.478216765e-01 3.82 -1.224625109e-01 -2.019271830e-01 -2.404474180e-01 3.84 -1.187922985e-01 -1.955729326e-01 -2.332981964e-01 3.86 -1.152470236e-01 -1.894780611e-01 -2.263648869e-01 3.88 -1.118220202e-01 -1.836343827e-01 -2.196396265e-01 3.90 -1.085128057e-01 -1.780330121e-01 -2.131150378e-01 3.92 -1.053150739e-01 -1.726642863e-01 -2.067842082e-01 3.94 -1.022246878e-01 -1.675176882e-01 -2.006406670e-01 3.96 -9.923767349e-02 -1.625817687e-01 -1.946783637e-01 3.98 -9.635021325e-02 -1.578440695e-01 -1.888916454e-01 4.00 -9.355863971e-02 -1.532910458e-01 -1.832752340e-01 4.02 -9.085942971e-02 -1.489079889e-01 -1.778242036e-01 4.04 -8.824919857e-02 -1.446789489e-01 -1.725339578e-01 4.06 -8.572469456e-02 -1.405884060e-01 -1.674002065e-01 4.08 -8.328279352e-02 -1.366288976e-01 -1.624189433e-01 4.10 -8.092049377e-02 -1.327958402e-01 -1.575864225e-01 4.12 -7.863491109e-02 -1.290848184e-01 -1.528991364e-01 4.14 -7.642327402e-02 -1.254915777e-01 -1.483537925e-01 4.16 -7.428291925e-02 -1.220120191e-01 -1.439472909e-01 4.18 -7.221128726e-02 -1.186421935e-01 -1.396767013e-01 4.20 -7.020591805e-02 -1.153782961e-01 -1.355392409e-01 4.22 -6.826430278e-02 -1.122166618e-01 -1.315322521e-01 4.24 -6.638282561e-02 -1.091537595e-01 -1.276531796e-01 4.26 -6.455750093e-02 -1.061861877e-01 -1.238995489e-01 4.28 -6.278463128e-02 -1.033106692e-01 -1.202689438e-01 4.30 -6.106080192e-02 -1.005240473e-01 -1.167589845e-01 4.32 -5.938287012e-02 -9.782328057e-02 -1.133673061e-01 4.34 -5.774795459e-02 -9.520543903e-02 -1.100915366e-01 4.36 -5.615342492e-02 -9.266769983e-02 -1.069292755e-01 4.38 -5.459689121e-02 -9.020734326e-02 -1.038780722e-01 4.40 -5.307619365e-02 -8.782174891e-02 -1.009354052e-01 4.42 -5.158939226e-02 -8.550839188e-02 -9.809866009e-02 4.44 -5.013475669e-02 -8.326483925e-02 -9.536510939e-02 4.46 -4.871075606e-02 -8.108874655e-02 -9.273189105e-02 4.48 -4.731604886e-02 -7.897757394e-02 -9.019598785e-02 4.50 -4.594947298e-02 -7.692779324e-02 -8.775420672e-02 4.52 -4.461003572e-02 -7.493582672e-02 -8.540315816e-02 4.54 -4.329690391e-02 -7.299833641e-02 -8.313923579e-02 4.56 -4.200939406e-02 -7.111221577e-02 -8.095859601e-02 4.58 -4.074696259e-02 -6.927458144e-02 -7.885713776e-02 4.60 -3.950919612e-02 -6.748276504e-02 -7.683048244e-02 4.62 -3.829571911e-02 -6.573430504e-02 -7.487395383e-02 4.64 -3.710539776e-02 -6.402693870e-02 -7.298255821e-02 4.66 -3.593676885e-02 -6.235859407e-02 -7.115096452e-02 4.68 -3.478859799e-02 -6.072738207e-02 -6.937368914e-02 4.70 -3.365987380e-02 -5.913158864e-02 -6.764744013e-02 4.72 -3.254979370e-02 -5.756966685e-02 -6.597055202e-02 4.74 -3.145774991e-02 -5.604022923e-02 -6.434144572e-02 4.76 -3.038331526e-02 -5.454204002e-02 -6.275859727e-02 4.78 -2.932622917e-02 -5.307400752e-02 -6.122053574e-02 4.80 -2.828638355e-02 -5.163517653e-02 -5.972584132e-02 4.82 -2.726380873e-02 -5.022472075e-02 -5.827314339e-02 4.84 -2.625865945e-02 -4.884193531e-02 -5.686111874e-02 4.86 -2.527120076e-02 -4.748622929e-02 -5.548848980e-02 4.88 -2.430179403e-02 -4.615711836e-02 -5.415402299e-02 4.90 -2.335088289e-02 -4.485421733e-02 -5.285652704e-02 4.92 -2.241897925e-02 -4.357723291e-02 -5.159485153e-02 4.94 -2.150664925e-02 -4.232595633e-02 -5.036788529e-02 4.96 -2.061449930e-02 -4.110025618e-02 -4.917455505e-02 4.98 -1.974316203e-02 -3.990007113e-02 -4.801382399e-02 5.00 -1.889328237e-02 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