# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = MoZr3 # 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 2025-12-17 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 7.061297200e+02 nan nan 0.98 6.446166469e+02 nan nan 1.00 5.886084474e+02 nan nan 1.02 5.376137434e+02 nan nan 1.04 4.913859899e+02 nan nan 1.06 4.494259940e+02 6.675914188e+02 nan 1.08 4.114631411e+02 6.146095366e+02 6.928233235e+02 1.10 3.770186627e+02 5.665229348e+02 6.386021966e+02 1.12 3.455442655e+02 5.220469102e+02 5.890147740e+02 1.14 3.168138323e+02 4.808146068e+02 5.436182338e+02 1.16 2.904516748e+02 4.428037451e+02 5.021464741e+02 1.18 2.663835482e+02 4.078068898e+02 4.640587844e+02 1.20 2.444447195e+02 3.756847201e+02 4.293439843e+02 1.22 2.241193180e+02 3.461459224e+02 3.975722998e+02 1.24 2.054780425e+02 3.190775616e+02 3.680916088e+02 1.26 1.884424260e+02 2.942742011e+02 3.405197821e+02 1.28 1.727298516e+02 2.715700889e+02 3.144512217e+02 1.30 1.583453367e+02 2.508938791e+02 2.905557496e+02 1.32 1.452635930e+02 2.318474849e+02 2.686370251e+02 1.34 1.332711056e+02 2.141943275e+02 2.484838218e+02 1.36 1.222776726e+02 1.977542411e+02 2.300170407e+02 1.38 1.121610780e+02 1.825241182e+02 2.129623493e+02 1.40 1.028025598e+02 1.685592287e+02 1.970161306e+02 1.42 9.420151579e+01 1.557571666e+02 1.821905454e+02 1.44 8.637113249e+01 1.439866806e+02 1.685875124e+02 1.46 7.923360528e+01 1.330541697e+02 1.560648066e+02 1.48 7.264461779e+01 1.227812648e+02 1.445132650e+02 1.50 6.653728249e+01 1.132642396e+02 1.338778643e+02 1.52 6.086450531e+01 1.045393217e+02 1.239669523e+02 1.54 5.563399031e+01 9.646443890e+01 1.146925235e+02 1.56 5.085361879e+01 8.899188993e+01 1.060091054e+02 1.58 4.648874369e+01 8.209220901e+01 9.794064356e+01 1.60 4.249841669e+01 7.566236737e+01 9.054351671e+01 1.62 3.886177125e+01 6.965579892e+01 8.372055124e+01 1.64 3.554118385e+01 6.410793763e+01 7.743966332e+01 1.66 3.246693226e+01 5.902701916e+01 7.166309264e+01 1.68 2.961118640e+01 5.437026314e+01 6.626683014e+01 1.70 2.700374527e+01 5.010500459e+01 6.119336906e+01 1.72 2.471655542e+01 4.622313453e+01 5.651470375e+01 1.74 2.259188862e+01 4.270745200e+01 5.221360179e+01 1.76 2.061820156e+01 3.948328219e+01 4.820429998e+01 1.78 1.882932072e+01 3.645900628e+01 4.446663400e+01 1.80 1.722052444e+01 3.361740374e+01 4.101718888e+01 1.82 1.574837191e+01 3.098615450e+01 3.782090914e+01 1.84 1.439633851e+01 2.858470363e+01 3.479373593e+01 1.86 1.314833118e+01 2.630178112e+01 3.195471184e+01 1.88 1.199261937e+01 2.419118091e+01 2.936994089e+01 1.90 1.092958343e+01 2.227182341e+01 2.700238537e+01 1.92 9.936702475e+00 2.051891210e+01 2.482754189e+01 1.94 8.999383077e+00 1.888654737e+01 2.283939061e+01 1.96 8.099146103e+00 1.734895933e+01 2.104583602e+01 1.98 7.221240683e+00 1.591055705e+01 1.943456497e+01 2.00 6.305228184e+00 1.457164351e+01 1.797543873e+01 2.02 5.357921151e+00 1.332942490e+01 1.662938825e+01 2.04 4.491087889e+00 1.216829694e+01 1.537304278e+01 2.06 3.604570088e+00 1.108570581e+01 1.420925424e+01 2.08 2.577859617e+00 1.008679748e+01 1.310780289e+01 2.10 1.671520427e+00 9.166911116e+00 1.206214473e+01 2.12 9.316148902e-01 8.366667351e+00 1.115137319e+01 2.14 2.489916974e-01 7.551929975e+00 1.022006114e+01 2.16 -3.714922382e-01 6.752364398e+00 9.343517346e+00 2.18 -9.415597598e-01 5.935513484e+00 8.516712383e+00 2.20 -1.459020199e+00 5.071757829e+00 7.722162832e+00 2.22 -1.925673381e+00 4.280259861e+00 6.945057853e+00 2.24 -2.345359706e+00 3.548196908e+00 6.187850705e+00 2.26 -2.729666592e+00 2.693187008e+00 5.368605574e+00 2.28 -3.091917200e+00 1.901949681e+00 4.575713334e+00 2.30 -3.434806486e+00 1.183355141e+00 3.784264291e+00 2.32 -3.752345710e+00 5.231956210e-01 2.786018175e+00 2.34 -4.052713085e+00 -8.878537720e-02 1.927079543e+00 2.36 -4.328892107e+00 -6.480260780e-01 1.225001033e+00 2.38 -4.576580981e+00 -1.186089526e+00 5.617444864e-01 2.40 -4.801810340e+00 -1.681183361e+00 -4.459684898e-02 2.42 -5.014999680e+00 -2.146839974e+00 -5.962815596e-01 2.44 -5.226284020e+00 -2.588607078e+00 -1.094436803e+00 2.46 -5.411458958e+00 -2.982840511e+00 -1.548037820e+00 2.48 -5.569803551e+00 -3.323798307e+00 -1.967424856e+00 2.50 -5.703073490e+00 -3.632024652e+00 -2.357441687e+00 2.52 -5.812190024e+00 -3.913886748e+00 -2.710544218e+00 2.54 -5.906665794e+00 -4.172586545e+00 -3.024361323e+00 2.56 -5.988871551e+00 -4.407109736e+00 -3.302350814e+00 2.58 -6.056071302e+00 -4.618513836e+00 -3.554352162e+00 2.60 -6.108411279e+00 -4.816851517e+00 -3.789986746e+00 2.62 -6.150445537e+00 -5.012373248e+00 -4.015166289e+00 2.64 -6.190788130e+00 -5.203729484e+00 -4.229142830e+00 2.66 -6.221606898e+00 -5.387856137e+00 -4.432418852e+00 2.68 -6.218595738e+00 -5.557947653e+00 -4.628263762e+00 2.70 -6.221391146e+00 -5.699106530e+00 -4.820880080e+00 2.72 -6.232515658e+00 -5.818252236e+00 -5.013055157e+00 2.74 -6.245324772e+00 -5.920769313e+00 -5.163740654e+00 2.76 -6.261107907e+00 -6.010740164e+00 -5.295906371e+00 2.78 -6.276408485e+00 -6.092215918e+00 -5.430544263e+00 2.80 -6.286255561e+00 -6.166095183e+00 -5.556700883e+00 2.82 -6.290108312e+00 -6.230497405e+00 -5.664860820e+00 2.84 -6.287383799e+00 -6.282336436e+00 -5.760692078e+00 2.86 -6.276836466e+00 -6.322386567e+00 -5.847817748e+00 2.88 -6.258812170e+00 -6.354249762e+00 -5.931105403e+00 2.90 -6.234941629e+00 -6.384503861e+00 -6.015016523e+00 2.92 -6.207545682e+00 -6.417411345e+00 -6.098104931e+00 2.94 -6.179048849e+00 -6.446192216e+00 -6.177987940e+00 2.96 -6.149628496e+00 -6.460538773e+00 -6.251886656e+00 2.98 -6.118900552e+00 -6.457367626e+00 -6.312296807e+00 3.00 -6.085726311e+00 -6.442110953e+00 -6.353903220e+00 3.02 -6.049491771e+00 -6.419632295e+00 -6.376761635e+00 3.04 -6.008349059e+00 -6.389971015e+00 -6.387713503e+00 3.06 -5.957651538e+00 -6.353183978e+00 -6.394935331e+00 3.08 -5.891922147e+00 -6.313548673e+00 -6.403320819e+00 3.10 -5.809460827e+00 -6.273777720e+00 -6.413340977e+00 3.12 -5.717302713e+00 -6.231149767e+00 -6.420333343e+00 3.14 -5.624441376e+00 -6.185314579e+00 -6.419912825e+00 3.16 -5.540735130e+00 -6.137912073e+00 -6.412252526e+00 3.18 -5.461525039e+00 -6.091000721e+00 -6.397949765e+00 3.20 -5.378410825e+00 -6.048343312e+00 -6.378823314e+00 3.22 -5.283854701e+00 -6.011820079e+00 -6.355997841e+00 3.24 -5.171358365e+00 -5.982192118e+00 -6.328605713e+00 3.26 -5.037046152e+00 -5.951301141e+00 -6.295705668e+00 3.28 -4.884875706e+00 -5.914075666e+00 -6.256368184e+00 3.30 -4.726920796e+00 -5.869646813e+00 -6.210358645e+00 3.32 -4.579414578e+00 -5.818158921e+00 -6.159113614e+00 3.34 -4.430373439e+00 -5.760429898e+00 -6.104474551e+00 3.36 -4.266865168e+00 -5.696337498e+00 -6.048573871e+00 3.38 -4.081449722e+00 -5.625700670e+00 -5.991878806e+00 3.40 -3.878911575e+00 -5.549445826e+00 -5.931348134e+00 3.42 -3.677028433e+00 -5.470682029e+00 -5.863040373e+00 3.44 -3.492331108e+00 -5.394514383e+00 -5.785180023e+00 3.46 -3.314195394e+00 -5.323403588e+00 -5.697332280e+00 3.48 -3.130415155e+00 -5.255711395e+00 -5.599460960e+00 3.50 -2.944592207e+00 -5.187887802e+00 -5.497293634e+00 3.52 -2.763978495e+00 -5.115437093e+00 -5.398090750e+00 3.54 -2.594890377e+00 -5.034182109e+00 -5.306250202e+00 3.56 -2.443703129e+00 -4.940501580e+00 -5.213042395e+00 3.58 -2.317591497e+00 -4.833176977e+00 -5.133821404e+00 3.60 -2.214725335e+00 -4.714277569e+00 -5.064129363e+00 3.62 -2.128734705e+00 -4.588038146e+00 -4.991393262e+00 3.64 -2.056861917e+00 -4.461226423e+00 -4.916125856e+00 3.66 -1.996175134e+00 -4.337164929e+00 -4.839414561e+00 3.68 -1.943246553e+00 -4.212576422e+00 -4.761493258e+00 3.70 -1.895256414e+00 -4.081373827e+00 -4.681570480e+00 3.72 -1.849779931e+00 -3.936408766e+00 -4.598573341e+00 3.74 -1.804405900e+00 -3.777046275e+00 -4.510840950e+00 3.76 -1.756720233e+00 -3.613331045e+00 -4.415441532e+00 3.78 -1.706398523e+00 -3.457014118e+00 -4.308532044e+00 3.80 -1.654300064e+00 -3.317457713e+00 -4.186456993e+00 3.82 -1.601581909e+00 -3.179429055e+00 -4.049401208e+00 3.84 -1.549527854e+00 -3.035960318e+00 -3.900369828e+00 3.86 -1.499422984e+00 -2.892210429e+00 -3.744233528e+00 3.88 -1.451933130e+00 -2.753163764e+00 -3.584302281e+00 3.90 -1.406962290e+00 -2.622203940e+00 -3.422336868e+00 3.92 -1.364399323e+00 -2.502025773e+00 -3.260119037e+00 3.94 -1.324048361e+00 -2.393788162e+00 -3.098952745e+00 3.96 -1.285745128e+00 -2.295715124e+00 -2.939653515e+00 3.98 -1.249385519e+00 -2.206366235e+00 -2.786158115e+00 4.00 -1.215055558e+00 -2.125656382e+00 -2.643613971e+00 4.02 -1.182434890e+00 -2.053394247e+00 -2.516247385e+00 4.04 -1.151040369e+00 -1.987987048e+00 -2.406617110e+00 4.06 -1.120424547e+00 -1.928122270e+00 -2.316033036e+00 4.08 -1.089982979e+00 -1.873555002e+00 -2.243572011e+00 4.10 -1.058891221e+00 -1.824204584e+00 -2.184528217e+00 4.12 -1.026484861e+00 -1.779515341e+00 -2.134489228e+00 4.14 -9.929616651e-01 -1.738483405e+00 -2.090757284e+00 4.16 -9.587657694e-01 -1.700207035e+00 -2.051230234e+00 4.18 -9.243569373e-01 -1.663862948e+00 -2.014132592e+00 4.20 -8.903356982e-01 -1.628564721e+00 -1.977989248e+00 4.22 -8.577814086e-01 -1.593713240e+00 -1.941290967e+00 4.24 -8.278286160e-01 -1.559112063e+00 -1.902136622e+00 4.26 -8.008542146e-01 -1.524702271e+00 -1.859219800e+00 4.28 -7.769567450e-01 -1.490360576e+00 -1.811281298e+00 4.30 -7.562055804e-01 -1.455916430e+00 -1.757166615e+00 4.32 -7.383062894e-01 -1.421192628e+00 -1.698188119e+00 4.34 -7.225860620e-01 -1.386136508e+00 -1.637671953e+00 4.36 -7.084249714e-01 -1.350937603e+00 -1.579647001e+00 4.38 -6.954618345e-01 -1.315733700e+00 -1.528106803e+00 4.40 -6.835578199e-01 -1.280659376e+00 -1.482519058e+00 4.42 -6.726134979e-01 -1.245810223e+00 -1.438381595e+00 4.44 -6.626952241e-01 -1.211251807e+00 -1.396250425e+00 4.46 -6.539034560e-01 -1.177203929e+00 -1.356646975e+00 4.48 -6.462495905e-01 -1.144062892e+00 -1.319467572e+00 4.50 -6.392886272e-01 -1.111827664e+00 -1.283794998e+00 4.52 -6.322031289e-01 -1.080477743e+00 -1.248712588e+00 4.54 -6.242275988e-01 -1.050007533e+00 -1.213353334e+00 4.56 -6.146895919e-01 -1.020421231e+00 -1.176860999e+00 4.58 -6.029258371e-01 -9.913448543e-01 -1.138376441e+00 4.60 -5.883693812e-01 -9.618057181e-01 -1.097128819e+00 4.62 -5.714407716e-01 -9.315630455e-01 -1.053499232e+00 4.64 -5.531725456e-01 -9.008351888e-01 -1.008500782e+00 4.66 -5.345694828e-01 -8.698468379e-01 -9.631471377e-01 4.68 -5.166303239e-01 -8.388442340e-01 -9.185293215e-01 4.70 -5.003492747e-01 -8.084003519e-01 -8.758489209e-01 4.72 -4.865930679e-01 -7.794891795e-01 -8.363584281e-01 4.74 -4.752314140e-01 -7.529489457e-01 -8.010843205e-01 4.76 -4.655978651e-01 -7.288083386e-01 -7.698828356e-01 4.78 -4.570527932e-01 -7.068646612e-01 -7.422781329e-01 4.80 -4.489525993e-01 -6.869106856e-01 -7.177830888e-01 4.82 -4.406560008e-01 -6.687053709e-01 -6.958845643e-01 4.84 -4.316025256e-01 -6.518938677e-01 -6.760491603e-01 4.86 -4.218044222e-01 -6.361078254e-01 -6.577230721e-01 4.88 -4.113020531e-01 -6.210539850e-01 -6.404473019e-01 4.90 -4.001066617e-01 -6.067066088e-01 -6.241542061e-01 4.92 -3.882321506e-01 -5.930413154e-01 -6.088696226e-01 4.94 -3.756905960e-01 -5.798189976e-01 -5.946192392e-01 4.96 -3.625189440e-01 -5.668026263e-01 -5.814285559e-01 4.98 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