# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Ostovari-Moghaddam-A-Fereidonnejad-R-Moaddeli-M-et-al--Zr-Co # implementation = 2025--Ostovari-Moghaddam-A--Zr-Co--LAMMPS--ipr1 # composition = Co3Zr # 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 2025-07-01 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 2.697353454e+02 nan nan 0.92 2.531852036e+02 nan nan 0.94 2.375558294e+02 nan nan 0.96 2.227987745e+02 nan nan 0.98 2.088680469e+02 2.542571031e+02 nan 1.00 1.957199892e+02 2.398159323e+02 nan 1.02 1.833131641e+02 2.261147370e+02 2.528237359e+02 1.04 1.716082443e+02 2.131178076e+02 2.390925774e+02 1.06 1.605679085e+02 2.007910875e+02 2.260317697e+02 1.08 1.501567417e+02 1.891020989e+02 2.136105653e+02 1.10 1.403411410e+02 1.780198723e+02 2.017995676e+02 1.12 1.310892256e+02 1.675148787e+02 1.905706738e+02 1.14 1.223707509e+02 1.575589650e+02 1.798970195e+02 1.16 1.141570273e+02 1.481252918e+02 1.697529263e+02 1.18 1.064208429e+02 1.391882741e+02 1.601138509e+02 1.20 9.913638911e+01 1.307235252e+02 1.509563367e+02 1.22 9.227919110e+01 1.227078018e+02 1.422579675e+02 1.24 8.582604079e+01 1.151189529e+02 1.339973226e+02 1.26 7.975493340e+01 1.079358697e+02 1.261539344e+02 1.28 7.404500709e+01 1.011384388e+02 1.187082474e+02 1.30 6.867648548e+01 9.470749642e+01 1.116415791e+02 1.32 6.363062309e+01 8.862478554e+01 1.049360820e+02 1.34 5.888965331e+01 8.287291433e+01 9.857470832e+01 1.36 5.443673910e+01 7.743531676e+01 9.254117480e+01 1.38 5.025592592e+01 7.229621474e+01 8.681993012e+01 1.40 4.633209711e+01 6.744058201e+01 8.139612303e+01 1.42 4.265093145e+01 6.285410974e+01 7.625557209e+01 1.44 3.919886276e+01 5.852317346e+01 7.138473658e+01 1.46 3.596304151e+01 5.443480162e+01 6.677068865e+01 1.48 3.293129840e+01 5.057664551e+01 6.240108673e+01 1.50 3.009210962e+01 4.693695043e+01 5.826414989e+01 1.52 2.743456394e+01 4.350452834e+01 5.434863344e+01 1.54 2.494833136e+01 4.026873154e+01 5.064380550e+01 1.56 2.262363338e+01 3.721942763e+01 4.713942451e+01 1.58 2.045121467e+01 3.434697560e+01 4.382571784e+01 1.60 1.842231626e+01 3.164220294e+01 4.069336111e+01 1.62 1.652864992e+01 2.909638382e+01 3.773345853e+01 1.64 1.476237399e+01 2.670121827e+01 3.493752405e+01 1.66 1.311607028e+01 2.444881222e+01 3.229746329e+01 1.68 1.158272219e+01 2.233165853e+01 2.980555620e+01 1.70 1.015569390e+01 2.034261888e+01 2.745444060e+01 1.72 8.828710660e+00 1.847490635e+01 2.523709621e+01 1.74 7.595839991e+00 1.672206897e+01 2.314682958e+01 1.76 6.451473894e+00 1.507797393e+01 2.117725952e+01 1.78 5.390311915e+00 1.353679242e+01 1.932230321e+01 1.80 4.407345102e+00 1.209298540e+01 1.757616291e+01 1.82 3.497840739e+00 1.074128974e+01 1.593331318e+01 1.84 2.657327872e+00 9.476705200e+00 1.438848877e+01 1.86 1.881583563e+00 8.294481918e+00 1.293667292e+01 1.88 1.166619838e+00 7.190108473e+00 1.157308618e+01 1.90 5.086713082e-01 6.159300525e+00 1.029317582e+01 1.92 -9.581659407e-02 5.197989959e+00 9.092605513e+00 1.94 -6.501987659e-01 4.302314520e+00 7.967245649e+00 1.96 -1.157641025e+00 3.468607954e+00 6.913163954e+00 1.98 -1.621130151e+00 2.693390582e+00 5.926616557e+00 2.00 -2.043483427e+00 1.973360305e+00 5.004039431e+00 2.02 -2.427357673e+00 1.305384060e+00 4.142040236e+00 2.04 -2.775257833e+00 6.864896266e-01 3.337390478e+00 2.06 -3.089545113e+00 1.138578482e-01 2.587018036e+00 2.08 -3.372444696e+00 -4.151847931e-01 1.888000020e+00 2.10 -3.626053074e+00 -9.031732701e-01 1.237555915e+00 2.12 -3.852344980e+00 -1.352510752e+00 6.330410535e-01 2.14 -4.053179981e+00 -1.765475042e+00 7.194036677e-02 2.16 -4.230308722e+00 -2.144224716e+00 -4.481376042e-01 2.18 -4.385378840e+00 -2.490804963e+00 -9.294664057e-01 2.20 -4.519940582e+00 -2.807153162e+00 -1.374207141e+00 2.22 -4.635452123e+00 -3.095104191e+00 -1.784413691e+00 2.24 -4.733284609e+00 -3.356395484e+00 -2.162037691e+00 2.26 -4.814726937e+00 -3.592671855e+00 -2.508933310e+00 2.28 -4.880990285e+00 -3.805490092e+00 -2.826861800e+00 2.30 -4.933212401e+00 -3.996323326e+00 -3.117495843e+00 2.32 -4.972461673e+00 -4.166565208e+00 -3.382423718e+00 2.34 -4.999740983e+00 -4.317533871e+00 -3.623153269e+00 2.36 -5.015991352e+00 -4.450475715e+00 -3.841115696e+00 2.38 -5.022095400e+00 -4.566569011e+00 -4.037669190e+00 2.40 -5.018880623e+00 -4.666927321e+00 -4.214102382e+00 2.42 -5.007122488e+00 -4.752602768e+00 -4.371637660e+00 2.44 -4.987547374e+00 -4.824589149e+00 -4.511434322e+00 2.46 -4.960835349e+00 -4.883824883e+00 -4.634591589e+00 2.48 -4.927622804e+00 -4.931195836e+00 -4.742151488e+00 2.50 -4.888504942e+00 -4.967538001e+00 -4.835101598e+00 2.52 -4.844038136e+00 -4.993640044e+00 -4.914377672e+00 2.54 -4.794742163e+00 -5.010245742e+00 -4.980866145e+00 2.56 -4.741102310e+00 -5.018056282e+00 -5.035406520e+00 2.58 -4.683571378e+00 -5.017732467e+00 -5.078793652e+00 2.60 -4.622571564e+00 -5.009896805e+00 -5.111779926e+00 2.62 -4.558496256e+00 -4.995135499e+00 -5.135077328e+00 2.64 -4.491711717e+00 -4.974000337e+00 -5.149359433e+00 2.66 -4.422558685e+00 -4.947010493e+00 -5.155263291e+00 2.68 -4.351353887e+00 -4.914654239e+00 -5.153391231e+00 2.70 -4.278391463e+00 -4.877390570e+00 -5.144312583e+00 2.72 -4.203944319e+00 -4.835650755e+00 -5.128565316e+00 2.74 -4.128265402e+00 -4.789839799e+00 -5.106657599e+00 2.76 -4.051588904e+00 -4.740337853e+00 -5.079069297e+00 2.78 -3.974131403e+00 -4.687501532e+00 -5.046253388e+00 2.80 -3.896092937e+00 -4.631665183e+00 -5.008637320e+00 2.82 -3.817658024e+00 -4.573142081e+00 -4.966624302e+00 2.84 -3.738996613e+00 -4.512225573e+00 -4.920594531e+00 2.86 -3.660264999e+00 -4.449190157e+00 -4.870906367e+00 2.88 -3.581606669e+00 -4.384292512e+00 -4.817897449e+00 2.90 -3.503153116e+00 -4.317772473e+00 -4.761885757e+00 2.92 -3.425024595e+00 -4.249853960e+00 -4.703170627e+00 2.94 -3.347330843e+00 -4.180745858e+00 -4.642033713e+00 2.96 -3.270171756e+00 -4.110642851e+00 -4.578739904e+00 2.98 -3.193638025e+00 -4.039726217e+00 -4.513538203e+00 3.00 -3.117811743e+00 -3.968164581e+00 -4.446662549e+00 3.02 -3.042766966e+00 -3.896114628e+00 -4.378332618e+00 3.04 -2.968570250e+00 -3.823721782e+00 -4.308754568e+00 3.06 -2.895281157e+00 -3.751120848e+00 -4.238121758e+00 3.08 -2.822952724e+00 -3.678436621e+00 -4.166615425e+00 3.10 -2.751631915e+00 -3.605784465e+00 -4.094405336e+00 3.12 -2.681360034e+00 -3.533270863e+00 -4.021650396e+00 3.14 -2.612173128e+00 -3.460993933e+00 -3.948499235e+00 3.16 -2.544102354e+00 -3.389043921e+00 -3.875090762e+00 3.18 -2.477174331e+00 -3.317503672e+00 -3.801554691e+00 3.20 -2.411411466e+00 -3.246449067e+00 -3.728012040e+00 3.22 -2.346832266e+00 -3.175949444e+00 -3.654575605e+00 3.24 -2.283451628e+00 -3.106067993e+00 -3.581350407e+00 3.26 -2.221281111e+00 -3.036862134e+00 -3.508434122e+00 3.28 -2.160329190e+00 -2.968383873e+00 -3.435917482e+00 3.30 -2.100601500e+00 -2.900680133e+00 -3.363884657e+00 3.32 -2.042101059e+00 -2.833793079e+00 -3.292413615e+00 3.34 -1.984828480e+00 -2.767760414e+00 -3.221576467e+00 3.36 -1.928782170e+00 -2.702615668e+00 -3.151439790e+00 3.38 -1.873958512e+00 -2.638388464e+00 -3.082064929e+00 3.40 -1.820352043e+00 -2.575104775e+00 -3.013508289e+00 3.42 -1.767955616e+00 -2.512787162e+00 -2.945821604e+00 3.44 -1.716760549e+00 -2.451455004e+00 -2.879052193e+00 3.46 -1.666756771e+00 -2.391124713e+00 -2.813243204e+00 3.48 -1.617932953e+00 -2.331809931e+00 -2.748499643e+00 3.50 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-1.777416296e+00 3.86 -8.936543814e-01 -1.401168729e+00 -1.733902691e+00 3.88 -8.649776337e-01 -1.362152454e+00 -1.691573632e+00 3.90 -8.371128646e-01 -1.324059072e+00 -1.650422758e+00 3.92 -8.100413311e-01 -1.286874825e+00 -1.610442445e+00 3.94 -7.837444539e-01 -1.250585641e+00 -1.571623827e+00 3.96 -7.582038369e-01 -1.215177186e+00 -1.533956828e+00 3.98 -7.334012840e-01 -1.180634897e+00 -1.497430175e+00 4.00 -7.093188153e-01 -1.146944028e+00 -1.462031412e+00 4.02 -6.855143067e-01 -1.114089682e+00 -1.427746915e+00 4.04 -6.624367917e-01 -1.082056849e+00 -1.394561897e+00 4.06 -7.708218933e-01 -1.050830433e+00 -1.362460420e+00 4.08 -9.595586329e-01 -1.020395287e+00 -1.331425395e+00 4.10 -9.437863240e-01 -9.907362337e-01 -1.301438593e+00 4.12 -9.262710789e-01 -9.618380953e-01 -1.272480651e+00 4.14 -9.091058258e-01 -9.336857143e-01 -1.244531079e+00 4.16 -8.922802598e-01 -9.062639757e-01 -1.217568276e+00 4.18 -8.757857657e-01 -8.795578259e-01 -1.191569545e+00 4.20 -8.596152084e-01 -8.535522916e-01 -1.166511114e+00 4.22 -8.437627047e-01 -8.282324954e-01 -1.142368164e+00 4.24 -8.282233884e-01 -8.035836716e-01 -1.119114866e+00 4.26 -8.129931766e-01 -7.797057328e-01 -1.096724419e+00 4.28 -7.980685480e-01 -7.588708439e-01 -1.075169103e+00 4.30 -7.834463388e-01 -7.449486960e-01 -1.054420337e+00 4.32 -7.691235630e-01 -7.252275269e-01 -1.034448741e+00 4.34 -7.550972607e-01 -7.000359794e-01 -1.015224215e+00 4.36 -7.413643751e-01 -6.798090163e-01 -9.967160166e-01 4.38 -7.279216607e-01 -6.601017891e-01 -9.788928491e-01 4.40 -7.145328931e-01 -6.409030865e-01 -9.617229555e-01 4.42 -6.960715213e-01 -6.222018234e-01 -9.451742185e-01 4.44 -6.382380675e-01 -6.039870472e-01 -9.292142660e-01 4.46 -3.952447456e-01 -5.862479427e-01 -9.138105833e-01 4.48 -1.972423405e-01 -5.689738369e-01 -8.989306310e-01 4.50 -1.923705498e-01 -5.521542040e-01 -8.845419728e-01 4.52 -1.876160522e-01 -5.357786680e-01 -8.706124110e-01 4.54 -1.829762043e-01 -5.198370070e-01 -8.571101350e-01 4.56 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