# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Mendelev-M-I-Kramer-M-J-Hao-S-G-et-al--Ni-Zr # implementation = 2012--Mendelev-M-I--Ni-Zr--LAMMPS--ipr1 # composition = Ni3Zr # 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 2.751004290e+04 nan nan 1.14 2.382875288e+04 nan nan 1.16 2.040007741e+04 nan nan 1.18 1.720371639e+04 nan nan 1.20 1.422089883e+04 nan nan 1.22 1.150737908e+04 nan nan 1.24 9.314340639e+03 2.445746875e+04 nan 1.26 7.562202088e+03 2.127040802e+04 2.701225789e+04 1.28 6.157424383e+03 1.828124039e+04 2.375728892e+04 1.30 5.027384901e+03 1.547511027e+04 2.070159524e+04 1.32 4.115388779e+03 1.283943948e+04 1.783046662e+04 1.34 3.376991055e+03 1.055881792e+04 1.513028719e+04 1.36 2.777318836e+03 8.705178924e+03 1.259431743e+04 1.38 2.288845421e+03 7.194687479e+03 1.041955091e+04 1.40 1.889719440e+03 5.960677061e+03 8.641126790e+03 1.42 1.562564593e+03 4.949890003e+03 7.182807086e+03 1.44 1.293552771e+03 4.119758853e+03 5.983706288e+03 1.46 1.071659033e+03 3.436142069e+03 4.995155623e+03 1.48 8.880442494e+02 2.871664774e+03 4.178123117e+03 1.50 7.356041814e+02 2.404328569e+03 3.501126905e+03 1.52 6.086295763e+02 2.016362671e+03 2.938745155e+03 1.54 5.025167291e+02 1.693363549e+03 2.470440162e+03 1.56 4.135564137e+02 1.423654529e+03 2.079598132e+03 1.58 3.397807789e+02 1.197774198e+03 1.752734929e+03 1.60 2.791788694e+02 1.008053464e+03 1.478805685e+03 1.62 2.293339085e+02 8.482693195e+02 1.248722029e+03 1.64 1.882883075e+02 7.133587614e+02 1.055016279e+03 1.66 1.544565293e+02 5.991932042e+02 8.915558141e+02 1.68 1.265497571e+02 5.023798015e+02 7.532691929e+02 1.70 1.035165803e+02 4.200603857e+02 6.359733874e+02 1.72 8.449625372e+01 3.505897958e+02 5.362150203e+02 1.74 6.878178079e+01 2.925790382e+02 4.511325191e+02 1.76 5.579094989e+01 2.440840111e+02 3.785221426e+02 1.78 4.504703445e+01 2.034995782e+02 3.174155320e+02 1.80 3.615915283e+01 1.695023553e+02 2.660928717e+02 1.82 2.880256512e+01 1.410023621e+02 2.229511154e+02 1.84 2.271560573e+01 1.171013850e+02 1.866639231e+02 1.86 1.768024110e+01 9.705614856e+01 1.561301579e+02 1.88 1.351518992e+01 8.024730989e+01 1.304298440e+02 1.90 1.007107536e+01 6.615738025e+01 1.087929573e+02 1.92 7.235832773e+00 5.438063313e+01 9.061531669e+01 1.94 4.913645669e+00 4.456693149e+01 7.537446462e+01 1.96 3.012970181e+00 3.639234927e+01 6.258657874e+01 1.98 1.456205818e+00 2.958543092e+01 5.184578434e+01 2.00 1.793219017e-01 2.391752773e+01 4.281199274e+01 2.02 -8.693426065e-01 1.919201722e+01 3.519893279e+01 2.04 -1.730356822e+00 1.524160000e+01 2.876962880e+01 2.06 -2.434055172e+00 1.192811706e+01 2.333352149e+01 2.08 -3.003981461e+00 9.137463328e+00 1.873655180e+01 2.10 -3.461775437e+00 6.777259493e+00 1.485476229e+01 2.12 -3.828222137e+00 4.774387451e+00 1.158429478e+01 2.14 -4.121729531e+00 3.071952341e+00 8.833601955e+00 2.16 -4.357695592e+00 1.626243683e+00 6.523179044e+00 2.18 -4.548548375e+00 4.028283066e-01 4.584602647e+00 2.20 -4.704052317e+00 -6.258791096e-01 2.958983295e+00 2.22 -4.831551039e+00 -1.483807988e+00 1.596009649e+00 2.24 -4.936162116e+00 -2.194105487e+00 4.530765888e-01 2.26 -5.021575592e+00 -2.779424244e+00 -5.057128413e-01 2.28 -5.091257999e+00 -3.260504914e+00 -1.310747687e+00 2.30 -5.148783615e+00 -3.655799305e+00 -1.988161483e+00 2.32 -5.196856451e+00 -3.981487562e+00 -2.560450880e+00 2.34 -5.237273049e+00 -4.251585445e+00 -3.046306575e+00 2.36 -5.270982377e+00 -4.478017487e+00 -3.461131608e+00 2.38 -5.298047671e+00 -4.670575941e+00 -3.817436312e+00 2.40 -5.317561211e+00 -4.837012690e+00 -4.124985022e+00 2.42 -5.327612496e+00 -4.983105563e+00 -4.390916875e+00 2.44 -5.326273181e+00 -5.112682002e+00 -4.620068559e+00 2.46 -5.312596611e+00 -5.227808503e+00 -4.815303814e+00 2.48 -5.286553055e+00 -5.329073225e+00 -4.977766629e+00 2.50 -5.248912741e+00 -5.415905150e+00 -5.108041645e+00 2.52 -5.201150841e+00 -5.487006573e+00 -5.207244238e+00 2.54 -5.145145742e+00 -5.541097000e+00 -5.277427660e+00 2.56 -5.082931484e+00 -5.577775009e+00 -5.321913039e+00 2.58 -5.016809482e+00 -5.597220881e+00 -5.344651548e+00 2.60 -4.949323098e+00 -5.599900307e+00 -5.349681046e+00 2.62 -4.883860646e+00 -5.586609174e+00 -5.340973184e+00 2.64 -4.822931736e+00 -5.558524008e+00 -5.322307207e+00 2.66 -4.765163362e+00 -5.517204772e+00 -5.297163118e+00 2.68 -4.708411800e+00 -5.464553244e+00 -5.268642318e+00 2.70 -4.653681709e+00 -5.402741715e+00 -5.239421511e+00 2.72 -4.603114365e+00 -5.334107209e+00 -5.211662597e+00 2.74 -4.557426415e+00 -5.260987127e+00 -5.186847477e+00 2.76 -4.515901232e+00 -5.185536931e+00 -5.165676013e+00 2.78 -4.476771058e+00 -5.109651122e+00 -5.147997824e+00 2.80 -4.437744088e+00 -5.035165699e+00 -5.132816885e+00 2.82 -4.396797368e+00 -4.963891917e+00 -5.118496551e+00 2.84 -4.352703212e+00 -4.897511397e+00 -5.103049956e+00 2.86 -4.305004071e+00 -4.837227992e+00 -5.084521594e+00 2.88 -4.253563730e+00 -4.782665984e+00 -5.061473464e+00 2.90 -4.198465274e+00 -4.731524522e+00 -5.033675523e+00 2.92 -4.139946138e+00 -4.681210432e+00 -5.002224903e+00 2.94 -4.078362584e+00 -4.630239309e+00 -4.968410333e+00 2.96 -4.014167176e+00 -4.578617829e+00 -4.931496606e+00 2.98 -3.947878399e+00 -4.527194170e+00 -4.889083351e+00 3.00 -3.880043446e+00 -4.476525972e+00 -4.840198368e+00 3.02 -3.811196609e+00 -4.426828807e+00 -4.786179232e+00 3.04 -3.741814505e+00 -4.378317712e+00 -4.729025326e+00 3.06 -3.672252748e+00 -4.331184402e+00 -4.670218803e+00 3.08 -3.602744456e+00 -4.285441308e+00 -4.610765612e+00 3.10 -3.533580520e+00 -4.241047108e+00 -4.551277740e+00 3.12 -3.465122430e+00 -4.197932989e+00 -4.492032852e+00 3.14 -3.397728185e+00 -4.155993481e+00 -4.433157466e+00 3.16 -3.331688831e+00 -4.115103548e+00 -4.374733036e+00 3.18 -3.267189836e+00 -4.075094231e+00 -4.316695288e+00 3.20 -3.204298304e+00 -4.035727145e+00 -4.258789936e+00 3.22 -3.142978520e+00 -3.996691210e+00 -4.200876718e+00 3.24 -3.083110253e+00 -3.957620010e+00 -4.143063740e+00 3.26 -3.024477677e+00 -3.918113640e+00 -4.085589013e+00 3.28 -2.966800903e+00 -3.877760497e+00 -4.028715240e+00 3.30 -2.909806085e+00 -3.836158073e+00 -3.972664097e+00 3.32 -2.853326906e+00 -3.792932110e+00 -3.917575800e+00 3.34 -2.797406576e+00 -3.747753795e+00 -3.863491745e+00 3.36 -2.742196382e+00 -3.700353615e+00 -3.810363011e+00 3.38 -2.687829978e+00 -3.650531382e+00 -3.758087899e+00 3.40 -2.634413230e+00 -3.598162192e+00 -3.706582042e+00 3.42 -2.582021724e+00 -3.543198075e+00 -3.655871537e+00 3.44 -2.530697657e+00 -3.485665166e+00 -3.606054835e+00 3.46 -2.480445732e+00 -3.425655152e+00 -3.557201717e+00 3.48 -2.431228459e+00 -3.363310641e+00 -3.509358688e+00 3.50 -2.382975325e+00 -3.298827942e+00 -3.462549264e+00 3.52 -2.335601233e+00 -3.232472923e+00 -3.416747710e+00 3.54 -2.289004057e+00 -3.164571519e+00 -3.371875687e+00 3.56 -2.243056969e+00 -3.095493768e+00 -3.327806599e+00 3.58 -2.197599123e+00 -3.025636782e+00 -3.284371960e+00 3.60 -2.152430982e+00 -2.955407517e+00 -3.241369305e+00 3.62 -2.107355530e+00 -2.885206315e+00 -3.198571187e+00 3.64 -2.062215377e+00 -2.815412314e+00 -3.155734853e+00 3.66 -2.016895298e+00 -2.746371945e+00 -3.112612220e+00 3.68 -1.971321654e+00 -2.678391842e+00 -3.068959786e+00 3.70 -1.925461070e+00 -2.611738377e+00 -3.024548167e+00 3.72 -1.879318335e+00 -2.546642352e+00 -2.979170965e+00 3.74 -1.832933488e+00 -2.483295310e+00 -2.932652711e+00 3.76 -1.786378075e+00 -2.421844801e+00 -2.884855652e+00 3.78 -1.739750601e+00 -2.362395238e+00 -2.835685196e+00 3.80 -1.693171177e+00 -2.305015611e+00 -2.785093839e+00 3.82 -1.646775432e+00 -2.249751716e+00 -2.733083500e+00 3.84 -1.600707999e+00 -2.196607902e+00 -2.679706628e+00 3.86 -1.555115437e+00 -2.145518854e+00 -2.625065684e+00 3.88 -1.510138419e+00 -2.096352866e+00 -2.569310331e+00 3.90 -1.465903372e+00 -2.048924451e+00 -2.512632605e+00 3.92 -1.422513737e+00 -2.003014236e+00 -2.455260083e+00 3.94 -1.380043391e+00 -1.958397074e+00 -2.397447076e+00 3.96 -1.338551257e+00 -1.914879379e+00 -2.339463887e+00 3.98 -1.298093352e+00 -1.872345947e+00 -2.281584094e+00 4.00 -1.258715391e+00 -1.830769585e+00 -2.224069036e+00 4.02 -1.220445234e+00 -1.790122715e+00 -2.167153095e+00 4.04 -1.183287053e+00 -1.750360877e+00 -2.111056347e+00 4.06 -1.147217442e+00 -1.711439265e+00 -2.056001180e+00 4.08 -1.112183587e+00 -1.673313409e+00 -2.002204480e+00 4.10 -1.078103719e+00 -1.635938152e+00 -1.949867387e+00 4.12 -1.044870052e+00 -1.599266602e+00 -1.899165481e+00 4.14 -1.012354441e+00 -1.563249014e+00 -1.850239756e+00 4.16 -9.804170244e-01 -1.527831621e+00 -1.803188742e+00 4.18 -9.489180411e-01 -1.492956817e+00 -1.758062190e+00 4.20 -9.177332449e-01 -1.458572134e+00 -1.714856754e+00 4.22 -8.867730985e-01 -1.424635923e+00 -1.673514132e+00 4.24 -8.559985838e-01 -1.391116060e+00 -1.633922159e+00 4.26 -8.253965407e-01 -1.357988519e+00 -1.595919445e+00 4.28 -7.949578819e-01 -1.325236188e+00 -1.559304394e+00 4.30 -7.646772500e-01 -1.292847870e+00 -1.523846096e+00 4.32 -7.345538251e-01 -1.260817506e+00 -1.489296407e+00 4.34 -7.045921567e-01 -1.229143476e+00 -1.455406229e+00 4.36 -6.748029010e-01 -1.197828089e+00 -1.421946775e+00 4.38 -6.452034455e-01 -1.166877057e+00 -1.388736357e+00 4.40 -6.158183103e-01 -1.136299095e+00 -1.355672466e+00 4.42 -5.866792306e-01 -1.106105525e+00 -1.322734372e+00 4.44 -5.578268412e-01 -1.076309871e+00 -1.289923654e+00 4.46 -5.293114963e-01 -1.046927427e+00 -1.257245679e+00 4.48 -5.011860393e-01 -1.017974797e+00 -1.224708981e+00 4.50 -4.735219044e-01 -9.894694555e-01 -1.192324793e+00 4.52 -4.463830820e-01 -9.614290271e-01 -1.160106584e+00 4.54 -4.198621802e-01 -9.338704526e-01 -1.128069616e+00 4.56 -3.940147873e-01 -9.068097898e-01 -1.096230490e+00 4.58 -3.689965550e-01 -8.802606431e-01 -1.064606692e+00 4.60 -3.444640327e-01 -8.542332935e-01 -1.033216127e+00 4.62 -3.208296631e-01 -8.287342995e-01 -1.002076596e+00 4.64 -2.987768721e-01 -8.037639368e-01 -9.712053072e-01 4.66 -2.799115048e-01 -7.793156191e-01 -9.406182831e-01 4.68 -2.639838807e-01 -7.553764137e-01 -9.103297638e-01 4.70 -2.470957918e-01 -7.319188041e-01 -8.803514901e-01 4.72 -2.278048889e-01 -7.089097087e-01 -8.506920755e-01 4.74 -2.068902955e-01 -6.863033737e-01 -8.213560936e-01 4.76 -1.864276981e-01 -6.640287778e-01 -7.923432071e-01 4.78 -1.675768440e-01 -6.420108109e-01 -7.636472402e-01 4.80 -1.507897383e-01 -6.201734008e-01 -7.352550765e-01 4.82 -1.364667486e-01 -5.984418016e-01 -7.071464076e-01 4.84 -1.246703330e-01 -5.766831113e-01 -6.793025834e-01 4.86 -1.152197554e-01 -5.549415754e-01 -6.517150742e-01 4.88 -1.078130186e-01 -5.332977239e-01 -6.243847729e-01 4.90 -1.020936856e-01 -5.118261107e-01 -5.973208635e-01 4.92 -9.768699121e-02 -4.905945562e-01 -5.705384828e-01 4.94 -9.421832639e-02 -4.697279378e-01 -5.440569719e-01 4.96 -9.135082583e-02 -4.491687946e-01 -5.179042807e-01 4.98 -8.882039209e-02 -4.287651825e-01 -4.921077724e-01 5.00 -8.644268795e-02 -4.084517646e-01 -4.666974034e-01 5.02 -8.411671301e-02 -3.881834841e-01 -4.417150636e-01 5.04 -8.181098916e-02 -3.680219399e-01 -4.171815006e-01 5.06 -7.951953930e-02 -3.476698503e-01 -3.931472284e-01 5.08 -7.724714963e-02 -3.275887171e-01 -3.695500312e-01 5.10 -7.500708673e-02 -3.084273546e-01 -3.461159598e-01 5.12 -7.281911694e-02 -2.906941345e-01 -3.238769249e-01 5.14 -7.070771181e-02 -2.735502996e-01 -3.036410647e-01 5.16 -6.870043604e-02 -2.563381984e-01 -2.855806858e-01 5.18 -6.682651304e-02 -2.388335462e-01 -2.671445881e-01 5.20 -6.511556230e-02 -2.196977594e-01 -2.476064054e-01 5.22 -6.359650173e-02 -1.984816820e-01 -2.272149241e-01 5.24 -6.229660732e-02 -1.762405194e-01 -2.047220599e-01 5.26 -6.124072209e-02 -1.543641840e-01 -1.797126731e-01 5.28 -6.045060578e-02 -1.344019182e-01 -1.536073769e-01 5.30 -5.994441631e-02 -1.171570864e-01 -1.282910870e-01 5.32 -5.973631401e-02 -1.028919199e-01 -1.056283814e-01 5.34 -5.983617937e-02 -9.155150995e-02 -8.643267500e-02 5.36 -6.024943505e-02 -8.291019589e-02 -7.085600208e-02 5.38 -6.097696308e-02 -7.666287452e-02 -5.869566272e-02 5.40 -6.201510803e-02 -7.247855901e-02 -4.958110511e-02 5.42 -6.335575736e-02 -7.002914842e-02 -4.308096132e-02 5.44 -6.498649020e-02 -6.900279261e-02 -3.875915186e-02 5.46 -6.689078620e-02 -6.910838175e-02 -3.620038466e-02 5.48 -6.904828628e-02 -7.007548166e-02 -3.501871850e-02 5.50 -7.143509754e-02 -7.165239059e-02 -3.485782701e-02 5.52 -7.402413492e-02 -7.360499845e-02 -3.538979248e-02 5.54 -7.678549254e-02 -7.572771725e-02 -3.633090972e-02 5.56 -7.968683813e-02 -7.785490261e-02 -3.745792367e-02 5.58 -8.269382440e-02 -7.986115130e-02 -3.860761439e-02 5.60 -8.577051154e-02 -8.166101287e-02 -3.967563484e-02 5.62 -8.887979558e-02 -8.320784103e-02 -4.061417983e-02 5.64 -9.198383777e-02 -8.447991175e-02 -4.141060984e-02 5.66 -9.504449071e-02 -8.546569973e-02 -4.206496533e-02 5.68 -9.802371718e-02 -8.616145859e-02 -4.258609123e-02 5.70 -1.008839985e-01 -8.657011995e-02 -4.298978603e-02 5.72 -1.035887292e-01 -8.670026432e-02 -4.329709841e-02 5.74 -1.061025962e-01 -8.656516427e-02 -4.353277276e-02 5.76 -1.083919397e-01 -8.618190027e-02 -4.372384570e-02 5.78 -1.104250952e-01 -8.557055039e-02 -4.389839570e-02 5.80 -1.121727155e-01 -8.475345596e-02 -4.408444887e-02 5.82 -1.136080716e-01 -8.375456562e-02 -4.430904440e-02 5.84 -1.147073339e-01 -8.259886117e-02 -4.459746409e-02 5.86 -1.154498331e-01 -8.131186943e-02 -4.497263119e-02 5.88 -1.158183024e-01 -7.991926483e-02 -4.545468439e-02 5.90 -1.157991028e-01 -7.844656858e-02 -4.606073399e-02 5.92 -1.153824335e-01 -7.691895078e-02 -4.680480802e-02 5.94 -1.145625288e-01 -7.536114274e-02 -4.769799680e-02 5.96 -1.133378472e-01 -7.379746762e-02 -4.874880570e-02 5.98 -1.117112538e-01 -7.225199815e-02 -4.996372627e-02 6.00 -1.096902012e-01 -7.074885112e-02 -5.134803730e-02