# 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 = MgPt3 # 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 4.706147866e+02 nan nan 1.16 4.365318975e+02 nan nan 1.18 4.049226643e+02 nan nan 1.20 3.755681389e+02 nan nan 1.22 3.482888463e+02 nan nan 1.24 3.229317892e+02 nan nan 1.26 2.993574685e+02 nan nan 1.28 2.774262072e+02 4.146507178e+02 4.690360875e+02 1.30 2.569986448e+02 3.869699253e+02 4.385646509e+02 1.32 2.379510508e+02 3.610977848e+02 4.100628771e+02 1.34 2.201845080e+02 3.369039823e+02 3.833696580e+02 1.36 2.036163935e+02 3.142658746e+02 3.583577909e+02 1.38 1.881663080e+02 2.930675861e+02 3.349259051e+02 1.40 1.737520618e+02 2.732050422e+02 3.129819734e+02 1.42 1.602947953e+02 2.545922845e+02 2.924331560e+02 1.44 1.477226486e+02 2.371591667e+02 2.731842714e+02 1.46 1.359683844e+02 2.208402587e+02 2.551398361e+02 1.48 1.249651365e+02 2.055657839e+02 2.382074450e+02 1.50 1.146458867e+02 1.912611017e+02 2.223012701e+02 1.52 1.049473586e+02 1.778505873e+02 2.073447514e+02 1.54 9.581512411e+01 1.652606017e+02 1.932719490e+02 1.56 8.720704152e+01 1.534214362e+02 1.800262729e+02 1.58 7.909342681e+01 1.422697417e+02 1.675568768e+02 1.60 7.146546564e+01 1.317510637e+02 1.558158682e+02 1.62 6.446251028e+01 1.218207929e+02 1.447581518e+02 1.64 5.808681294e+01 1.124425109e+02 1.343418472e+02 1.66 5.228328230e+01 1.035846669e+02 1.245270862e+02 1.68 4.699833820e+01 9.521808749e+01 1.152741894e+02 1.70 4.218319001e+01 8.731573561e+01 1.065433294e+02 1.72 3.779561150e+01 7.985345872e+01 9.829577840e+01 1.74 3.379959266e+01 7.281076396e+01 9.049534146e+01 1.76 3.016351807e+01 6.627373430e+01 8.310914920e+01 1.78 2.685804062e+01 6.027582435e+01 7.610819596e+01 1.80 2.385459453e+01 5.476818735e+01 6.949775421e+01 1.82 2.112497661e+01 4.970542455e+01 6.338492752e+01 1.84 1.864194211e+01 4.504750515e+01 5.775260272e+01 1.86 1.638029662e+01 4.076055948e+01 5.256965721e+01 1.88 1.431776826e+01 3.681633393e+01 4.780522689e+01 1.90 1.243525704e+01 3.319072649e+01 4.342746635e+01 1.92 1.071654485e+01 2.986202969e+01 3.940413112e+01 1.94 9.147779639e+00 2.680948367e+01 3.570412454e+01 1.96 7.716990140e+00 2.401250733e+01 3.229888416e+01 1.98 6.413714317e+00 2.145062979e+01 2.916298030e+01 2.00 5.228718581e+00 1.910390716e+01 2.627396086e+01 2.02 4.153746523e+00 1.695349933e+01 2.361181103e+01 2.04 3.181252794e+00 1.498213024e+01 2.115842594e+01 2.06 2.304115431e+00 1.317429515e+01 1.889731555e+01 2.08 1.515369770e+00 1.151621977e+01 1.681352776e+01 2.10 8.080351170e-01 9.995649515e+00 1.489365456e+01 2.12 1.750936671e-01 8.601567904e+00 1.312577419e+01 2.14 -3.903796881e-01 7.323935171e+00 1.149926475e+01 2.16 -8.950065374e-01 6.153509123e+00 1.000450310e+01 2.18 -1.344907981e+00 5.081764740e+00 8.632523177e+00 2.20 -1.745582271e+00 4.100884550e+00 7.374736719e+00 2.22 -2.101864694e+00 3.203769831e+00 6.222792814e+00 2.24 -2.417945158e+00 2.384038856e+00 5.168598234e+00 2.26 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-4.004877021e+00 -3.887366854e+00 -3.635616570e+00 2.64 -3.952941027e+00 -3.955302290e+00 -3.764507377e+00 2.66 -3.896766702e+00 -4.012923454e+00 -3.876102580e+00 2.68 -3.837685353e+00 -4.060738563e+00 -3.970727289e+00 2.70 -3.776743692e+00 -4.099100201e+00 -4.048792572e+00 2.72 -3.714694489e+00 -4.128266356e+00 -4.110845787e+00 2.74 -3.652028253e+00 -4.148446777e+00 -4.157624116e+00 2.76 -3.589026571e+00 -4.159833136e+00 -4.190098472e+00 2.78 -3.525820466e+00 -4.162616394e+00 -4.209491225e+00 2.80 -3.462443924e+00 -4.156997654e+00 -4.217252721e+00 2.82 -3.398876879e+00 -4.143196034e+00 -4.214989578e+00 2.84 -3.335077808e+00 -4.121460583e+00 -4.204353671e+00 2.86 -3.271005379e+00 -4.092086622e+00 -4.186914603e+00 2.88 -3.206631079e+00 -4.055437697e+00 -4.164046485e+00 2.90 -3.141944507e+00 -4.011970487e+00 -4.136854619e+00 2.92 -3.076953149e+00 -3.962257228e+00 -4.106153020e+00 2.94 -3.011680411e+00 -3.906997869e+00 -4.072487306e+00 2.96 -2.946158551e+00 -3.847013877e+00 -4.036186378e+00 2.98 -2.880425027e+00 -3.783218505e+00 -3.997426672e+00 3.00 -2.814517621e+00 -3.716564555e+00 -3.956288432e+00 3.02 -2.748471385e+00 -3.647978193e+00 -3.912804383e+00 3.04 -2.682317339e+00 -3.578292662e+00 -3.866991828e+00 3.06 -2.616082954e+00 -3.508197699e+00 -3.818872280e+00 3.08 -2.549794164e+00 -3.438211039e+00 -3.768481089e+00 3.10 -2.483478424e+00 -3.368678510e+00 -3.715870212e+00 3.12 -2.417168100e+00 -3.299793775e+00 -3.661106838e+00 3.14 -2.350903500e+00 -3.231631759e+00 -3.604269888e+00 3.16 -2.284743219e+00 -3.164183081e+00 -3.545445806e+00 3.18 -2.218853900e+00 -3.097387944e+00 -3.484724614e+00 3.20 -2.153456285e+00 -3.031162210e+00 -3.422196881e+00 3.22 -2.088750093e+00 -2.965416526e+00 -3.357952429e+00 3.24 -2.024913664e+00 -2.900068977e+00 -3.292080390e+00 3.26 -1.962104149e+00 -2.835052670e+00 -3.224671951e+00 3.28 -1.900457403e+00 -2.770319598e+00 -3.155824999e+00 3.30 -1.840091594e+00 -2.705841871e+00 -3.085650812e+00 3.32 -1.781111981e+00 -2.641611088e+00 -3.014282150e+00 3.34 -1.723582407e+00 -2.577636457e+00 -2.941881736e+00 3.36 -1.667547712e+00 -2.513942157e+00 -2.868649597e+00 3.38 -1.613037635e+00 -2.450564370e+00 -2.794827421e+00 3.40 -1.560068493e+00 -2.387548271e+00 -2.720698032e+00 3.42 -1.508644666e+00 -2.324952367e+00 -2.646578613e+00 3.44 -1.458761419e+00 -2.262896927e+00 -2.572807412e+00 3.46 -1.410404479e+00 -2.201526290e+00 -2.499725174e+00 3.48 -1.363552472e+00 -2.140994426e+00 -2.427654004e+00 3.50 -1.318175340e+00 -2.081443265e+00 -2.356876896e+00 3.52 -1.274223369e+00 -2.022992612e+00 -2.287624146e+00 3.54 -1.231636716e+00 -1.965741262e+00 -2.220125426e+00 3.56 -1.190353027e+00 -1.909768013e+00 -2.154633189e+00 3.58 -1.150307084e+00 -1.855132634e+00 -2.091309686e+00 3.60 -1.111430740e+00 -1.801876807e+00 -2.030230966e+00 3.62 -1.073653121e+00 -1.750034711e+00 -1.971405013e+00 3.64 -1.036901152e+00 -1.699616838e+00 -1.914789227e+00 3.66 -1.001100376e+00 -1.650607871e+00 -1.860305629e+00 3.68 -9.661761063e-01 -1.602980752e+00 -1.807853065e+00 3.70 -9.320549428e-01 -1.556697981e+00 -1.757324670e+00 3.72 -8.986666862e-01 -1.511713165e+00 -1.708601672e+00 3.74 -8.659466904e-01 -1.467972758e+00 -1.661552241e+00 3.76 -8.338386232e-01 -1.425417940e+00 -1.616048344e+00 3.78 -8.022975281e-01 -1.383986574e+00 -1.571968783e+00 3.80 -7.712929680e-01 -1.343615133e+00 -1.529201676e+00 3.82 -7.408119153e-01 -1.304239481e+00 -1.487646391e+00 3.84 -7.108609429e-01 -1.265786515e+00 -1.447214906e+00 3.86 -6.814672083e-01 -1.228180033e+00 -1.407832528e+00 3.88 -6.526777306e-01 -1.191350251e+00 -1.369437960e+00 3.90 -6.245565840e-01 -1.155234092e+00 -1.331982704e+00 3.92 -5.971798250e-01 -1.119775093e+00 -1.295426978e+00 3.94 -5.706287350e-01 -1.084923675e+00 -1.259731342e+00 3.96 -5.449811189e-01 -1.050636554e+00 -1.224864112e+00 3.98 -5.203028925e-01 -1.016877313e+00 -1.190802494e+00 4.00 -4.966401595e-01 -9.836167585e-01 -1.157530282e+00 4.02 -4.740132783e-01 -9.508337163e-01 -1.125035866e+00 4.04 -4.524136362e-01 -9.185161291e-01 -1.093310484e+00 4.06 -4.318034422e-01 -8.866623300e-01 -1.062346755e+00 4.08 -4.121183553e-01 -8.552822934e-01 -1.032137505e+00 4.10 -3.932723758e-01 -8.243984045e-01 -1.002674874e+00 4.12 -3.751642306e-01 -7.940466243e-01 -9.739496666e-01 4.14 -3.576844710e-01 -7.642746736e-01 -9.459509213e-01 4.16 -3.407226340e-01 -7.351412856e-01 -9.186656426e-01 4.18 -3.241740014e-01 -7.067130960e-01 -8.920786637e-01 4.20 -3.079456586e-01 -6.790606702e-01 -8.661726007e-01 4.22 -2.919616811e-01 -6.522537323e-01 -8.409278677e-01 4.24 -2.761672627e-01 -6.263560745e-01 -8.163227292e-01 4.26 -2.605316746e-01 -6.014207244e-01 -7.923333711e-01 4.28 -2.450498146e-01 -5.774859300e-01 -7.689339770e-01 4.30 -2.297421532e-01 -5.545723977e-01 -7.460968025e-01 4.32 -2.146529133e-01 -5.326820122e-01 -7.237922426e-01 4.34 -1.998464464e-01 -5.117980392e-01 -7.019888911e-01 4.36 -1.854019271e-01 -4.918866025e-01 -6.806535931e-01 4.38 -1.714070575e-01 -4.728990994e-01 -6.597514951e-01 4.40 -1.579506443e-01 -4.547751572e-01 -6.392460992e-01 4.42 -1.451158359e-01 -4.374457652e-01 -6.190993300e-01 4.44 -1.329739504e-01 -4.208362835e-01 -5.992716296e-01 4.46 -1.215798403e-01 -4.048691346e-01 -5.797220984e-01 4.48 -1.109690970e-01 -3.894660793e-01 -5.604087074e-01 4.50 -1.011571747e-01 -3.745500635e-01 -5.412886116e-01 4.52 -9.214010773e-02 -3.600466805e-01 -5.223184223e-01 4.54 -8.389729000e-02 -3.458853312e-01 -5.034555832e-01 4.56 -7.639366978e-02 -3.320001791e-01 -4.846580179e-01 4.58 -6.958389108e-02 -3.183309940e-01 -4.658860419e-01 4.60 -6.341565517e-02 -3.048239673e-01 -4.471034647e-01 4.62 -5.783297257e-02 -2.914325573e-01 -4.282791641e-01 4.64 -5.277895573e-02 -2.781183956e-01 -4.093888792e-01 4.66 -4.819806770e-02 -2.648522514e-01 -3.904171565e-01 4.68 -4.403782557e-02 -2.516150167e-01 -3.713593516e-01 4.70 -4.024995250e-02 -2.383986366e-01 -3.522235435e-01 4.72 -3.679111574e-02 -2.252068777e-01 -3.330321845e-01 4.74 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-2.305066835e-04 -1.452783807e-03 -2.136380892e-03 5.82 -2.029170120e-04 -1.377075191e-03 -2.028867956e-03 5.84 -1.780875890e-04 -1.306725539e-03 -1.928574078e-03 5.86 -1.558583308e-04 -1.241104348e-03 -1.834653498e-03 5.88 -1.360547026e-04 -1.179656059e-03 -1.746363736e-03 5.90 -1.184929719e-04 -1.121890827e-03 -1.663051705e-03 5.92 -1.029853303e-04 -1.067376511e-03 -1.584141986e-03 5.94 -8.934453863e-05 -1.015731789e-03 -1.509126970e-03 5.96 -7.738787601e-05 -9.666202736e-04 -1.437558644e-03 5.98 -6.694028642e-05 -9.197455566e-04 -1.369041833e-03 6.00 -5.783670755e-05 -8.748470775e-04 -1.303228701e-03