# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Mg3Zr # 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 2024-04-11 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 nan nan nan 1.14 4.852914806e+02 nan nan 1.16 4.472801049e+02 nan nan 1.18 4.123660989e+02 nan nan 1.20 3.802755783e+02 nan nan 1.22 3.507620120e+02 nan nan 1.24 3.236026696e+02 nan nan 1.26 2.985954825e+02 nan nan 1.28 2.755567860e+02 4.216867597e+02 4.811019894e+02 1.30 2.543201853e+02 3.913538896e+02 4.472218966e+02 1.32 2.347356150e+02 3.632699210e+02 4.158179558e+02 1.34 2.166676768e+02 3.372553349e+02 3.866954180e+02 1.36 1.999936078e+02 3.131467967e+02 3.596763798e+02 1.38 1.846014091e+02 2.907959039e+02 3.345978925e+02 1.40 1.703885052e+02 2.700675786e+02 3.113105243e+02 1.42 1.572607496e+02 2.508377309e+02 2.896772785e+02 1.44 1.451316540e+02 2.329913540e+02 2.695724504e+02 1.46 1.339216878e+02 2.164220117e+02 2.508805171e+02 1.48 1.235580120e+02 2.010321283e+02 2.334952611e+02 1.50 1.139742642e+02 1.867327430e+02 2.173193932e+02 1.52 1.051098274e+02 1.734425095e+02 2.022640039e+02 1.54 9.690905143e+01 1.610865765e+02 1.882475544e+02 1.56 8.932106499e+01 1.495960134e+02 1.751950410e+02 1.58 8.229961611e+01 1.389077022e+02 1.630374250e+02 1.60 7.580179285e+01 1.289640538e+02 1.517111161e+02 1.62 6.978795968e+01 1.197122693e+02 1.411573513e+02 1.64 6.422100277e+01 1.111034540e+02 1.313215560e+02 1.66 5.906722668e+01 1.030919811e+02 1.221530574e+02 1.68 5.429595920e+01 9.563522066e+01 1.136050974e+02 1.70 4.987908023e+01 8.869381672e+01 1.056346705e+02 1.72 4.579057624e+01 8.223182038e+01 9.820208827e+01 1.74 4.200621661e+01 7.621572857e+01 9.127036237e+01 1.76 3.850342531e+01 7.061466360e+01 8.480524341e+01 1.78 3.526132121e+01 6.539976439e+01 7.877449435e+01 1.80 3.226074241e+01 6.054421329e+01 7.314800136e+01 1.82 2.948408169e+01 5.602320252e+01 6.789796991e+01 1.84 2.691506595e+01 5.181333909e+01 6.299857733e+01 1.86 2.453849068e+01 4.789263119e+01 5.842639677e+01 1.88 2.234007573e+01 4.424060911e+01 5.415968942e+01 1.90 2.030643261e+01 4.083846700e+01 5.017815439e+01 1.92 1.842511193e+01 3.766905086e+01 4.646277983e+01 1.94 1.668471487e+01 3.471669781e+01 4.299582806e+01 1.96 1.507489935e+01 3.196696949e+01 3.976078069e+01 1.98 1.358630129e+01 2.940646146e+01 3.674228897e+01 2.00 1.221038123e+01 2.702268277e+01 3.392608527e+01 2.02 1.093925682e+01 2.480396784e+01 3.129887646e+01 2.04 9.765565853e+00 2.273939764e+01 2.884826419e+01 2.06 8.682400697e+00 2.081871836e+01 2.656265738e+01 2.08 7.683260283e+00 1.903225832e+01 2.443121630e+01 2.10 6.762051041e+00 1.737087939e+01 2.244375441e+01 2.12 5.913098611e+00 1.582596947e+01 2.059069413e+01 2.14 5.131154010e+00 1.438946228e+01 1.886306551e+01 2.16 4.411380013e+00 1.305387848e+01 1.725253177e+01 2.18 3.749306740e+00 1.181232551e+01 1.575140348e+01 2.20 3.140801882e+00 1.065846183e+01 1.435257494e+01 2.22 2.581954114e+00 9.586414869e+00 1.304949999e+01 2.24 2.069159486e+00 8.590712978e+00 1.183608394e+01 2.26 1.599138621e+00 7.666248734e+00 1.070663580e+01 2.28 1.168785646e+00 6.808254643e+00 9.655818182e+00 2.30 7.751625777e-01 6.012329443e+00 8.678624383e+00 2.32 4.154834771e-01 5.274392095e+00 7.770330533e+00 2.34 8.710908532e-02 4.590688901e+00 6.926454542e+00 2.36 -2.123777739e-01 3.957729379e+00 6.142717940e+00 2.38 -4.850573362e-01 3.372247075e+00 5.415011630e+00 2.40 -7.328518122e-01 2.831157617e+00 4.739420933e+00 2.42 -9.575335284e-01 2.331458277e+00 4.112249291e+00 2.44 -1.160716210e+00 1.870350147e+00 3.530071185e+00 2.46 -1.343871273e+00 1.445203608e+00 2.989766098e+00 2.48 -1.508354550e+00 1.053484117e+00 2.488520259e+00 2.50 -1.655431525e+00 6.927740950e-01 2.023732842e+00 2.52 -1.786295001e+00 3.607981575e-01 1.593086831e+00 2.54 -1.902074402e+00 5.544453490e-02 1.194501370e+00 2.56 -2.003841859e+00 -2.252130699e-01 8.260104991e-01 2.58 -2.092609977e+00 -4.828006585e-01 4.857454783e-01 2.60 -2.169339970e+00 -7.187244505e-01 1.719293854e-01 2.62 -2.234935960e+00 -9.342898083e-01 -1.171175793e-01 2.64 -2.290255059e+00 -1.130732969e+00 -3.829866767e-01 2.66 -2.336110626e+00 -1.309217943e+00 -6.270843366e-01 2.68 -2.373279958e+00 -1.470864098e+00 -8.506240216e-01 2.70 -2.402511155e+00 -1.616750287e+00 -1.054761844e+00 2.72 -2.424528648e+00 -1.747918308e+00 -1.240614767e+00 2.74 -2.440035155e+00 -1.865372370e+00 -1.409267674e+00 2.76 -2.449708357e+00 -1.970075429e+00 -1.561781396e+00 2.78 -2.454190238e+00 -2.062941201e+00 -1.699198839e+00 2.80 -2.454081957e+00 -2.144839236e+00 -1.822550026e+00 2.82 -2.449919783e+00 -2.216574095e+00 -1.932845141e+00 2.84 -2.442176213e+00 -2.278896792e+00 -2.031067044e+00 2.86 -2.431256929e+00 -2.332503613e+00 -2.118155221e+00 2.88 -2.417508135e+00 -2.378040410e+00 -2.194989297e+00 2.90 -2.401224766e+00 -2.416107809e+00 -2.262376375e+00 2.92 -2.382659807e+00 -2.447266272e+00 -2.321045787e+00 2.94 -2.362046894e+00 -2.472040414e+00 -2.371651894e+00 2.96 -2.339586475e+00 -2.490922321e+00 -2.414777579e+00 2.98 -2.315466349e+00 -2.504373957e+00 -2.450967910e+00 3.00 -2.289860860e+00 -2.512828892e+00 -2.480705520e+00 3.02 -2.262933256e+00 -2.516693674e+00 -2.504446043e+00 3.04 -2.234837593e+00 -2.516346748e+00 -2.522618707e+00 3.06 -2.205720574e+00 -2.512150384e+00 -2.535632470e+00 3.08 -2.175723477e+00 -2.504435983e+00 -2.543881096e+00 3.10 -2.144983985e+00 -2.493518238e+00 -2.547747303e+00 3.12 -2.113637535e+00 -2.479691734e+00 -2.547605713e+00 3.14 -2.081817597e+00 -2.463243291e+00 -2.543823917e+00 3.16 -2.049654459e+00 -2.444437134e+00 -2.536761002e+00 3.18 -2.017274350e+00 -2.423527878e+00 -2.526763323e+00 3.20 -1.984840272e+00 -2.400758263e+00 -2.514156772e+00 3.22 -1.952431937e+00 -2.376360263e+00 -2.499245959e+00 3.24 -1.920087942e+00 -2.350556508e+00 -2.482299014e+00 3.26 -1.887838702e+00 -2.323561734e+00 -2.463551720e+00 3.28 -1.855706125e+00 -2.295583438e+00 -2.443206201e+00 3.30 -1.823705139e+00 -2.266820853e+00 -2.421434254e+00 3.32 -1.791846270e+00 -2.237461776e+00 -2.398382307e+00 3.34 -1.760138261e+00 -2.207677689e+00 -2.374176776e+00 3.36 -1.728586699e+00 -2.177618505e+00 -2.348928917e+00 3.38 -1.697145620e+00 -2.147408577e+00 -2.322738697e+00 3.40 -1.665744666e+00 -2.117153074e+00 -2.295697628e+00 3.42 -1.634331554e+00 -2.086933165e+00 -2.267890721e+00 3.44 -1.602882722e+00 -2.056781995e+00 -2.239397848e+00 3.46 -1.571382785e+00 -2.026720492e+00 -2.210294817e+00 3.48 -1.539836187e+00 -1.996760714e+00 -2.180654402e+00 3.50 -1.508261637e+00 -1.966923451e+00 -2.150544601e+00 3.52 -1.476690750e+00 -1.937229520e+00 -2.120042552e+00 3.54 -1.445164351e+00 -1.907659843e+00 -2.089216398e+00 3.56 -1.413730593e+00 -1.878199928e+00 -2.058149103e+00 3.58 -1.382442063e+00 -1.848835753e+00 -2.026962044e+00 3.60 -1.351353450e+00 -1.819539380e+00 -1.995710734e+00 3.62 -1.320519649e+00 -1.790285731e+00 -1.964449903e+00 3.64 -1.289994148e+00 -1.761057439e+00 -1.933244715e+00 3.66 -1.259827472e+00 -1.731843594e+00 -1.902166923e+00 3.68 -1.230065495e+00 -1.702638875e+00 -1.871289931e+00 3.70 -1.200747686e+00 -1.673433882e+00 -1.840683452e+00 3.72 -1.171905575e+00 -1.644197283e+00 -1.810408651e+00 3.74 -1.143561787e+00 -1.614905157e+00 -1.780514173e+00 3.76 -1.115729939e+00 -1.585547403e+00 -1.751012468e+00 3.78 -1.088415413e+00 -1.556127699e+00 -1.721860389e+00 3.80 -1.061616847e+00 -1.526663472e+00 -1.693012413e+00 3.82 -1.035327999e+00 -1.497185461e+00 -1.664427169e+00 3.84 -1.009539655e+00 -1.467736522e+00 -1.636067977e+00 3.86 -9.842412931e-01 -1.438369405e+00 -1.607903443e+00 3.88 -9.594223681e-01 -1.409143456e+00 -1.579907878e+00 3.90 -9.350731687e-01 -1.380120456e+00 -1.552061435e+00 3.92 -9.111835803e-01 -1.351358776e+00 -1.524346914e+00 3.94 -8.877503770e-01 -1.322914751e+00 -1.496762103e+00 3.96 -8.647658468e-01 -1.294830617e+00 -1.469299060e+00 3.98 -8.422255630e-01 -1.267138867e+00 -1.441957684e+00 4.00 -8.201259621e-01 -1.239860279e+00 -1.414741223e+00 4.02 -7.984640321e-01 -1.213004929e+00 -1.387655597e+00 4.04 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-2.218032088e-01 5.46 -7.270976795e-02 -1.643867971e-01 -2.154608637e-01 5.48 -6.910059459e-02 -1.585458790e-01 -2.092874913e-01 5.50 -6.552908554e-02 -1.528791912e-01 -2.032782580e-01 5.52 -6.199575401e-02 -1.473920084e-01 -1.974283350e-01 5.54 -5.850330193e-02 -1.420887533e-01 -1.917309872e-01 5.56 -5.505668414e-02 -1.369726189e-01 -1.861854827e-01 5.58 -5.166306925e-02 -1.320452746e-01 -1.807847424e-01 5.60 -4.833165854e-02 -1.273066777e-01 -1.755239151e-01 5.62 -4.507338013e-02 -1.227549996e-01 -1.703981250e-01 5.64 -4.190046127e-02 -1.183866646e-01 -1.654024641e-01 5.66 -3.882588283e-02 -1.141964814e-01 -1.605319847e-01 5.68 -3.586275494e-02 -1.101778449e-01 -1.557816907e-01 5.70 -3.302365921e-02 -1.063229918e-01 -1.511465301e-01 5.72 -3.032000948e-02 -1.026232708e-01 -1.466213866e-01 5.74 -2.776148375e-02 -9.906941024e-02 -1.422010729e-01 5.76 -2.535483410e-02 -9.565176349e-02 -1.378803246e-01 5.78 -2.310436410e-02 -9.236050448e-02 -1.336537958e-01 5.80 -2.101314746e-02 -8.918584974e-02 -1.295160573e-01 5.82 -1.908147801e-02 -8.611818534e-02 -1.254615975e-01 5.84 -1.730704525e-02 -8.314816254e-02 -1.214848282e-01 5.86 -1.568524582e-02 -8.026665524e-02 -1.175800948e-01 5.88 -1.420957168e-02 -7.746495409e-02 -1.137416934e-01 5.90 -1.287203540e-02 -7.473493950e-02 -1.099638958e-01 5.92 -1.166359740e-02 -7.206891381e-02 -1.062409839e-01 5.94 -1.057456761e-02 -6.945962260e-02 -1.025672952e-01 5.96 -9.594962499e-03 -6.690027489e-02 -9.893727709e-02 5.98 -8.714806398e-03 -6.438456611e-02 -9.534553943e-02 6.00 -7.924373371e-03 -6.190670769e-02 -9.178699300e-02