# 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 = CoZr3 # 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 3.060431116e+02 nan nan 0.92 2.903624079e+02 nan nan 0.94 2.754049098e+02 nan nan 0.96 2.611393174e+02 nan nan 0.98 2.475356244e+02 3.022994228e+02 nan 1.00 2.345650659e+02 2.878374115e+02 nan 1.02 2.222000695e+02 2.740031046e+02 2.813138339e+02 1.04 2.104142072e+02 2.607707007e+02 2.683070070e+02 1.06 1.991821497e+02 2.481154202e+02 2.558415458e+02 1.08 1.884796228e+02 2.360134657e+02 2.438963078e+02 1.10 1.782833647e+02 2.244419848e+02 2.324509358e+02 1.12 1.685710855e+02 2.133790330e+02 2.214858302e+02 1.14 1.593214286e+02 2.028035391e+02 2.109821223e+02 1.16 1.505139325e+02 1.926952713e+02 2.009216483e+02 1.18 1.421289953e+02 1.830348051e+02 1.912869238e+02 1.20 1.341478401e+02 1.738034915e+02 1.820611202e+02 1.22 1.265524810e+02 1.649834274e+02 1.732280408e+02 1.24 1.193256922e+02 1.565574266e+02 1.647720983e+02 1.26 1.124509764e+02 1.485089921e+02 1.566782930e+02 1.28 1.059125357e+02 1.408222890e+02 1.489321915e+02 1.30 9.969524300e+01 1.334821190e+02 1.415199065e+02 1.32 9.378461503e+01 1.264738958e+02 1.344280770e+02 1.34 8.816678585e+01 1.197836207e+02 1.276438494e+02 1.36 8.282848185e+01 1.133978605e+02 1.211548589e+02 1.38 7.775699752e+01 1.073037245e+02 1.149492118e+02 1.40 7.294017223e+01 1.014888441e+02 1.090154687e+02 1.42 6.836636790e+01 9.594135184e+01 1.033426276e+02 1.44 6.402444756e+01 9.064986211e+01 9.792010803e+01 1.46 5.990375477e+01 8.560345200e+01 9.273773565e+01 1.48 5.599409381e+01 8.079164332e+01 8.778572749e+01 1.50 5.228571072e+01 7.620438498e+01 8.305467744e+01 1.52 4.876927499e+01 7.183203629e+01 7.853554250e+01 1.54 4.543586211e+01 6.766535072e+01 7.421962936e+01 1.56 4.227693665e+01 6.369546040e+01 7.009858152e+01 1.58 3.928433616e+01 5.991386113e+01 6.616436683e+01 1.60 3.645025565e+01 5.631239801e+01 6.240926553e+01 1.62 3.376723262e+01 5.288325159e+01 5.882585859e+01 1.64 3.122813286e+01 4.961892462e+01 5.540701662e+01 1.66 2.882613660e+01 4.651222922e+01 5.214588902e+01 1.68 2.655472542e+01 4.355627457e+01 4.903589362e+01 1.70 2.440766953e+01 4.074445514e+01 4.607070667e+01 1.72 2.237901567e+01 3.807043927e+01 4.324425312e+01 1.74 2.046307540e+01 3.552815828e+01 4.055069736e+01 1.76 1.865441397e+01 3.311179594e+01 3.798443419e+01 1.78 1.694783951e+01 3.081577837e+01 3.554008015e+01 1.80 1.533839282e+01 2.863476434e+01 3.321246519e+01 1.82 1.382133739e+01 2.656363594e+01 3.099662458e+01 1.84 1.239214999e+01 2.459748958e+01 2.888779119e+01 1.86 1.104651153e+01 2.273162742e+01 2.688138797e+01 1.88 9.780298366e+00 2.096154904e+01 2.497302075e+01 1.90 8.589573885e+00 1.928294348e+01 2.315847127e+01 1.92 7.470580522e+00 1.769168163e+01 2.143369051e+01 1.94 6.419732040e+00 1.618380879e+01 1.979479222e+01 1.96 5.433606150e+00 1.475553772e+01 1.823804670e+01 1.98 4.508937434e+00 1.340324172e+01 1.675987479e+01 2.00 3.642610556e+00 1.212344823e+01 1.535684212e+01 2.02 2.831653761e+00 1.091283246e+01 1.402565356e+01 2.04 2.073232628e+00 9.768211431e+00 1.276314781e+01 2.06 1.364644102e+00 8.686538173e+00 1.156629228e+01 2.08 7.033107572e-01 7.664896164e+00 1.043217812e+01 2.10 8.677530713e-02 6.700493992e+00 9.358015422e+00 2.12 -4.873046577e-01 5.790660235e+00 8.341128597e+00 2.14 -1.021161714e+00 4.932838535e+00 7.378951964e+00 2.16 -1.516923436e+00 4.124582866e+00 6.469025451e+00 2.18 -1.976617025e+00 3.363552996e+00 5.608990499e+00 2.20 -2.402173745e+00 2.647510127e+00 4.796586086e+00 2.22 -2.795433170e+00 1.974312702e+00 4.029644916e+00 2.24 -3.158147251e+00 1.341912394e+00 3.306089755e+00 2.26 -3.491984215e+00 7.483502355e-01 2.623929886e+00 2.28 -3.798532298e+00 1.917529192e-01 1.981257712e+00 2.30 -4.079303314e+00 -3.296707607e-01 1.376245489e+00 2.32 -4.335736079e+00 -8.176333284e-01 8.071421630e-01 2.34 -4.569199688e+00 -1.273771900e+00 2.722703467e-01 2.36 -4.780996651e+00 -1.699651332e+00 -2.299765968e-01 2.38 -4.972365890e+00 -2.096767242e+00 -7.011373687e-01 2.40 -5.144485620e+00 -2.466548909e+00 -1.142685425e+00 2.42 -5.298476093e+00 -2.810362051e+00 -1.556031580e+00 2.44 -5.435402233e+00 -3.129511501e+00 -1.942526506e+00 2.46 -5.556276151e+00 -3.425243760e+00 -2.303463133e+00 2.48 -5.662059561e+00 -3.698749463e+00 -2.640078963e+00 2.50 -5.753666077e+00 -3.951165737e+00 -2.953558296e+00 2.52 -5.831963426e+00 -4.183578454e+00 -3.245034362e+00 2.54 -5.897775554e+00 -4.397024416e+00 -3.515591386e+00 2.56 -5.951884642e+00 -4.592493426e+00 -3.766266557e+00 2.58 -5.995033041e+00 -4.770930288e+00 -3.998051934e+00 2.60 -6.027925115e+00 -4.933236729e+00 -4.211896275e+00 2.62 -6.051229006e+00 -5.080273228e+00 -4.408706791e+00 2.64 -6.065578318e+00 -5.212860784e+00 -4.589350837e+00 2.66 -6.071573740e+00 -5.331782605e+00 -4.754657536e+00 2.68 -6.069784576e+00 -5.437785726e+00 -4.905419340e+00 2.70 -6.060750228e+00 -5.531582568e+00 -5.042393528e+00 2.72 -6.044981602e+00 -5.613852425e+00 -5.166303654e+00 2.74 -6.022962454e+00 -5.685242892e+00 -5.277840923e+00 2.76 -5.995150679e+00 -5.746371239e+00 -5.377665531e+00 2.78 -5.961979537e+00 -5.797825719e+00 -5.466407939e+00 2.80 -5.923858832e+00 -5.840166831e+00 -5.544670103e+00 2.82 -5.881176030e+00 -5.873928525e+00 -5.613026658e+00 2.84 -5.834297335e+00 -5.899619357e+00 -5.672026046e+00 2.86 -5.783568710e+00 -5.917723600e+00 -5.722191613e+00 2.88 -5.729316854e+00 -5.928702307e+00 -5.764022649e+00 2.90 -5.671850142e+00 -5.932994325e+00 -5.797995395e+00 2.92 -5.611459507e+00 -5.931017274e+00 -5.824564011e+00 2.94 -5.548419300e+00 -5.923168482e+00 -5.844161500e+00 2.96 -5.482988097e+00 -5.909825878e+00 -5.857200597e+00 2.98 -5.415409478e+00 -5.891348851e+00 -5.864074627e+00 3.00 -5.345912765e+00 -5.868079075e+00 -5.865158324e+00 3.02 -5.274713729e+00 -5.840341290e+00 -5.860808617e+00 3.04 -5.202015264e+00 -5.808444064e+00 -5.851365386e+00 3.06 -5.128008033e+00 -5.772680509e+00 -5.837152191e+00 3.08 -5.052871076e+00 -5.733328977e+00 -5.818476964e+00 3.10 -4.976772400e+00 -5.690653719e+00 -5.795632682e+00 3.12 -4.899869536e+00 -5.644905525e+00 -5.768898002e+00 3.14 -4.822310070e+00 -5.596322326e+00 -5.738537883e+00 3.16 -4.744232149e+00 -5.545129777e+00 -5.704804172e+00 3.18 -4.665764972e+00 -5.491541816e+00 -5.667936172e+00 3.20 -4.587029243e+00 -5.435761196e+00 -5.628161185e+00 3.22 -4.508137614e+00 -5.377979997e+00 -5.585695033e+00 3.24 -4.429195105e+00 -5.318380109e+00 -5.540742557e+00 3.26 -4.350299503e+00 -5.257133708e+00 -5.493498099e+00 3.28 -4.271541739e+00 -5.194403696e+00 -5.444145956e+00 3.30 -4.193006255e+00 -5.130344133e+00 -5.392860828e+00 3.32 -4.114771346e+00 -5.065100647e+00 -5.339808233e+00 3.34 -4.036909491e+00 -4.998810825e+00 -5.285144918e+00 3.36 -3.959487662e+00 -4.931604588e+00 -5.229019242e+00 3.38 -3.882567625e+00 -4.863604550e+00 -5.171571552e+00 3.40 -3.806206226e+00 -4.794926362e+00 -5.112934537e+00 3.42 -3.730455653e+00 -4.725679038e+00 -5.053233568e+00 3.44 -3.655363700e+00 -4.655965275e+00 -4.992587030e+00 3.46 -3.580974008e+00 -4.585881744e+00 -4.931106631e+00 3.48 -3.507326300e+00 -4.515519385e+00 -4.868897711e+00 3.50 -3.434456597e+00 -4.444963681e+00 -4.806059767e+00 3.52 -3.362397432e+00 -4.374294914e+00 -4.742686806e+00 3.54 -3.291178051e+00 -4.303588423e+00 -4.678865608e+00 3.56 -3.220824599e+00 -4.232914842e+00 -4.614678103e+00 3.58 -3.151360301e+00 -4.162340326e+00 -4.550202729e+00 3.60 -3.082805636e+00 -4.091926775e+00 -4.485512185e+00 3.62 -3.015178497e+00 -4.021732040e+00 -4.420674563e+00 3.64 -2.948494349e+00 -3.951810123e+00 -4.355753561e+00 3.66 -2.882766370e+00 -3.882211372e+00 -4.290808686e+00 3.68 -2.818005597e+00 -3.812982659e+00 -4.225895445e+00 3.70 -2.754221053e+00 -3.744167556e+00 -4.161065528e+00 3.72 -2.691419876e+00 -3.675806503e+00 -4.096366988e+00 3.74 -2.629607434e+00 -3.607936964e+00 -4.031844408e+00 3.76 -2.568787442e+00 -3.540593584e+00 -3.967539060e+00 3.78 -2.508962066e+00 -3.473808326e+00 -3.903489060e+00 3.80 -2.450132025e+00 -3.407610619e+00 -3.839729517e+00 3.82 -2.392296688e+00 -3.342027483e+00 -3.776292669e+00 3.84 -2.335454163e+00 -3.277083656e+00 -3.713208017e+00 3.86 -2.279601385e+00 -3.212801718e+00 -3.650502455e+00 3.88 -2.224734195e+00 -3.149202203e+00 -3.588200391e+00 3.90 -2.170847420e+00 -3.086303707e+00 -3.526323860e+00 3.92 -2.117934943e+00 -3.024122997e+00 -3.464892637e+00 3.94 -2.065989774e+00 -2.962675107e+00 -3.403924342e+00 3.96 -2.015004112e+00 -2.901973432e+00 -3.343434538e+00 3.98 -1.964969413e+00 -2.842029824e+00 -3.283436830e+00 4.00 -1.915876439e+00 -2.782854672e+00 -3.223942952e+00 4.02 -1.865538788e+00 -2.724456989e+00 -3.164962860e+00 4.04 -1.784248236e+00 -2.666844486e+00 -3.106504804e+00 4.06 -1.594757558e+00 -2.610023652e+00 -3.048575419e+00 4.08 -1.245144643e+00 -2.553999819e+00 -2.991179790e+00 4.10 -1.205993327e+00 -2.498777236e+00 -2.934321529e+00 4.12 -1.180573110e+00 -2.444359129e+00 -2.878002840e+00 4.14 -1.155544520e+00 -2.390747763e+00 -2.822224588e+00 4.16 -1.130893206e+00 -2.337944502e+00 -2.766986358e+00 4.18 -1.106604695e+00 -2.285949865e+00 -2.712286515e+00 4.20 -1.082664390e+00 -2.234763576e+00 -2.658122262e+00 4.22 -1.059057575e+00 -2.184384616e+00 -2.604489697e+00 4.24 -1.035769407e+00 -2.134811274e+00 -2.551383862e+00 4.26 -1.012784918e+00 -2.085710234e+00 -2.498798800e+00 4.28 -9.900890063e-01 -2.029880245e+00 -2.446727601e+00 4.30 -9.676664368e-01 -1.933891321e+00 -2.395162454e+00 4.32 -9.455018360e-01 -1.707551027e+00 -2.344094693e+00 4.34 -9.235796883e-01 -1.586183961e+00 -2.293514851e+00 4.36 -9.018843345e-01 -1.546538117e+00 -2.243412700e+00 4.38 -8.803999708e-01 -1.507619247e+00 -2.193777307e+00 4.40 -8.599641134e-01 -1.469423074e+00 -2.144597081e+00 4.42 -8.555136208e-01 -1.431944886e+00 -2.095859822e+00 4.44 -8.747071635e-01 -1.395179560e+00 -2.047552777e+00 4.46 -6.978701382e-01 -1.359121591e+00 -1.999662693e+00 4.48 -4.703445213e-01 -1.323765120e+00 -1.952175873e+00 4.50 -4.621049644e-01 -1.289103952e+00 -1.905078242e+00 4.52 -4.539870885e-01 -1.255131589e+00 -1.858355408e+00 4.54 -4.459902651e-01 -1.221841244e+00 -1.811992731e+00 4.56 -4.381138070e-01 -1.189225868e+00 -1.765975402e+00 4.58 -4.303569727e-01 -1.157278171e+00 -1.720288524e+00 4.60 -4.227189691e-01 -1.125990638e+00 -1.674917195e+00 4.62 -4.151989556e-01 -1.095355555e+00 -1.629846606e+00 4.64 -4.077960475e-01 -1.065365019e+00 -1.585062149e+00 4.66 -4.005093183e-01 -1.036010963e+00 -1.540549520e+00 4.68 -3.933378037e-01 -1.007285170e+00 -1.496294848e+00 4.70 -3.862805038e-01 -9.791792870e-01 -1.452284823e+00 4.72 -3.793363862e-01 -9.516848446e-01 -1.408506838e+00 4.74 -3.725043884e-01 -9.247932688e-01 -1.364949143e+00 4.76 -3.657834204e-01 -8.984958956e-01 -1.321601004e+00 4.78 -3.591723670e-01 -8.727839849e-01 -1.278452883e+00 4.80 -3.526700902e-01 -8.476487328e-01 -1.235496615e+00 4.82 -3.462754312e-01 -8.230812836e-01 -1.192725605e+00 4.84 -3.399872126e-01 -7.990727416e-01 -1.150135031e+00 4.86 -3.338042402e-01 -7.756141820e-01 -1.107722046e+00 4.88 -3.277253050e-01 -7.526966608e-01 -1.065485998e+00 4.90 -3.217491848e-01 -7.303112253e-01 -1.023428640e+00 4.92 -3.150782763e-01 -7.074681983e-01 -9.802520696e-01 4.94 -2.976927342e-01 -6.718424611e-01 -9.197316934e-01 4.96 -2.444564225e-01 -5.864696029e-01 -7.934717829e-01 4.98 -1.281027550e-01 -3.654178266e-01 -4.890170875e-01 5.00 -2.843444620e-22 -9.457993282e-22 -9.902441424e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 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