# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Ackland-G-J-Mendelev-M-I-Srolovitz-D-J-et-al--Fe-P # implementation = 2004--Ackland-G-J--Fe-P--LAMMPS--ipr1 # composition = Fe3P # 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 2024-11-27 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 2.846974093e+04 nan nan 0.88 2.558749683e+04 nan nan 0.90 2.295562417e+04 nan nan 0.92 2.054914766e+04 nan nan 0.94 1.834712424e+04 nan nan 0.96 1.633090385e+04 2.561186469e+04 2.917330091e+04 0.98 1.448352929e+04 2.318637564e+04 2.653353986e+04 1.00 1.278923260e+04 2.095053567e+04 2.410434769e+04 1.02 1.123242609e+04 1.888844907e+04 2.186648858e+04 1.04 9.798627588e+03 1.698530539e+04 1.980230538e+04 1.06 8.475586103e+03 1.522858108e+04 1.789580241e+04 1.08 7.252535370e+03 1.360709953e+04 1.613168063e+04 1.10 6.121030671e+03 1.210973209e+04 1.449650222e+04 1.12 5.073821166e+03 1.072573193e+04 1.298016606e+04 1.14 4.103716214e+03 9.445321808e+03 1.157326767e+04 1.16 3.229851683e+03 8.259206819e+03 1.026643187e+04 1.18 2.541433924e+03 7.158519175e+03 9.050605307e+03 1.20 2.006456393e+03 6.135096408e+03 7.917817728e+03 1.22 1.589007441e+03 5.180674021e+03 6.861090019e+03 1.24 1.261999643e+03 4.287884619e+03 5.874989893e+03 1.26 1.004848583e+03 3.457819039e+03 4.954361740e+03 1.28 8.018936810e+02 2.771535641e+03 4.094139553e+03 1.30 6.411643888e+02 2.225749313e+03 3.307596303e+03 1.32 5.136247007e+02 1.791140559e+03 2.669900505e+03 1.34 4.122665219e+02 1.444552673e+03 2.160663559e+03 1.36 3.315895934e+02 1.167670711e+03 1.752546630e+03 1.38 2.672697014e+02 9.460137317e+02 1.424286792e+03 1.40 2.159101869e+02 7.681392933e+02 1.159267524e+03 1.42 1.748334413e+02 6.250251440e+02 9.448586344e+02 1.44 1.419284816e+02 5.096110299e+02 7.712864396e+02 1.46 1.155206947e+02 4.163074450e+02 6.306784106e+02 1.48 9.427304651e+01 3.406740355e+02 5.166572377e+02 1.50 7.712031319e+01 2.792395876e+02 4.240807275e+02 1.52 6.322432952e+01 2.292955935e+02 3.488109716e+02 1.54 5.192416675e+01 1.886653461e+02 2.875152083e+02 1.56 4.270116869e+01 1.555807088e+02 2.375076482e+02 1.58 3.515064790e+01 1.286006914e+02 1.966243672e+02 1.60 2.895099297e+01 1.065513342e+02 1.631199451e+02 1.62 2.384149157e+01 8.848046885e+01 1.356057211e+02 1.64 1.961109361e+01 7.361859077e+01 1.129652463e+02 1.66 1.609046808e+01 6.134836284e+01 9.429136970e+01 1.68 1.314422589e+01 5.117356146e+01 7.884886936e+01 1.70 1.065120273e+01 4.269656271e+01 6.604183638e+01 1.72 8.527143678e+00 3.559938016e+01 5.539086703e+01 1.74 6.710285403e+00 2.963036819e+01 4.651452245e+01 1.76 5.150284581e+00 2.461021046e+01 3.910409783e+01 1.78 3.805309668e+00 2.037886008e+01 3.290476853e+01 1.80 2.652085662e+00 1.679537372e+01 2.770348710e+01 1.82 1.698459375e+00 1.375082803e+01 2.332285110e+01 1.84 9.084552687e-01 1.116094124e+01 1.961571385e+01 1.86 2.461786930e-01 8.957599531e+00 1.646007089e+01 1.88 -3.183745982e-01 7.083583564e+00 1.375467698e+01 1.90 -8.085048829e-01 5.490687428e+00 1.141564185e+01 1.92 -1.238575473e+00 4.138023692e+00 9.375592904e+00 1.94 -1.616920006e+00 2.989019682e+00 7.582860992e+00 1.96 -1.947572028e+00 2.010522052e+00 5.998721950e+00 1.98 -2.232663161e+00 1.172978231e+00 4.594657844e+00 2.00 -2.475264019e+00 4.512880663e-01 3.349904799e+00 2.02 -2.679256869e+00 -1.602737980e-01 2.269137296e+00 2.04 -2.848024466e+00 -6.674491791e-01 1.350667115e+00 2.06 -2.985083945e+00 -1.088603699e+00 5.696349022e-01 2.08 -3.096234775e+00 -1.444548744e+00 -1.028587894e-01 2.10 -3.184535720e+00 -1.746108964e+00 -6.809504153e-01 2.12 -3.252682542e+00 -2.001272808e+00 -1.174328818e+00 2.14 -3.303387147e+00 -2.217403033e+00 -1.590829674e+00 2.16 -3.338795551e+00 -2.400636613e+00 -1.937836991e+00 2.18 -3.360978177e+00 -2.555794485e+00 -2.222849277e+00 2.20 -3.371980068e+00 -2.686656394e+00 -2.452689358e+00 2.22 -3.373679815e+00 -2.796292725e+00 -2.634106650e+00 2.24 -3.368176356e+00 -2.888344085e+00 -2.775749304e+00 2.26 -3.357043776e+00 -2.966035499e+00 -2.886118883e+00 2.28 -3.340854993e+00 -3.031734872e+00 -2.972803297e+00 2.30 -3.319516375e+00 -3.087535902e+00 -3.042369152e+00 2.32 -3.292753473e+00 -3.135109671e+00 -3.099931678e+00 2.34 -3.260587895e+00 -3.174754149e+00 -3.148087752e+00 2.36 -3.223327799e+00 -3.206274885e+00 -3.188039948e+00 2.38 -3.181264259e+00 -3.229404302e+00 -3.220445987e+00 2.40 -3.134626499e+00 -3.243855750e+00 -3.246428843e+00 2.42 -3.083562706e+00 -3.249416579e+00 -3.267147233e+00 2.44 -3.028161907e+00 -3.246133372e+00 -3.283651262e+00 2.46 -2.968466804e+00 -3.234217414e+00 -3.296622145e+00 2.48 -2.904763667e+00 -3.214102863e+00 -3.306425511e+00 2.50 -2.837571885e+00 -3.186508959e+00 -3.313209072e+00 2.52 -2.767402182e+00 -3.152394345e+00 -3.316982774e+00 2.54 -2.694851610e+00 -3.113023524e+00 -3.317822773e+00 2.56 -2.620591832e+00 -3.069781420e+00 -3.315720055e+00 2.58 -2.545315636e+00 -3.024053070e+00 -3.310552842e+00 2.60 -2.469748813e+00 -2.977066739e+00 -3.302122486e+00 2.62 -2.394638452e+00 -2.929798213e+00 -3.290090700e+00 2.64 -2.320686324e+00 -2.882949525e+00 -3.273801126e+00 2.66 -2.248629498e+00 -2.837049138e+00 -3.252734965e+00 2.68 -2.179265940e+00 -2.792511761e+00 -3.226479235e+00 2.70 -2.113442676e+00 -2.749466154e+00 -3.194727519e+00 2.72 -2.051812346e+00 -2.707699631e+00 -3.157323138e+00 2.74 -1.994638871e+00 -2.666768737e+00 -3.114367013e+00 2.76 -1.942134661e+00 -2.626148172e+00 -3.066193435e+00 2.78 -1.894468368e+00 -2.585549916e+00 -3.013308133e+00 2.80 -1.851730532e+00 -2.545134577e+00 -2.956375624e+00 2.82 -1.813894556e+00 -2.505162566e+00 -2.896180181e+00 2.84 -1.780772160e+00 -2.465827349e+00 -2.833536636e+00 2.86 -1.752009548e+00 -2.427293051e+00 -2.769306040e+00 2.88 -1.727088592e+00 -2.389641531e+00 -2.704363342e+00 2.90 -1.705343173e+00 -2.352757536e+00 -2.639538318e+00 2.92 -1.686013616e+00 -2.316511821e+00 -2.575553326e+00 2.94 -1.668347817e+00 -2.280767620e+00 -2.512962600e+00 2.96 -1.651743489e+00 -2.245374757e+00 -2.452100085e+00 2.98 -1.635730734e+00 -2.210170687e+00 -2.393043260e+00 3.00 -1.619846596e+00 -2.174981753e+00 -2.335584532e+00 3.02 -1.603638540e+00 -2.139661583e+00 -2.279324266e+00 3.04 -1.586748753e+00 -2.104203839e+00 -2.223951708e+00 3.06 -1.569017761e+00 -2.068632335e+00 -2.169245479e+00 3.08 -1.550346430e+00 -2.032965430e+00 -2.115250365e+00 3.10 -1.530645324e+00 -1.997217536e+00 -2.062236096e+00 3.12 -1.509836405e+00 -1.961400612e+00 -2.010471383e+00 3.14 -1.487855423e+00 -1.925525695e+00 -1.960199208e+00 3.16 -1.464654046e+00 -1.889604282e+00 -1.911637855e+00 3.18 -1.440201656e+00 -1.853649753e+00 -1.864982279e+00 3.20 -1.414486651e+00 -1.817678657e+00 -1.820405669e+00 3.22 -1.387517251e+00 -1.781720899e+00 -1.778060883e+00 3.24 -1.359321612e+00 -1.745882083e+00 -1.738081428e+00 3.26 -1.329947912e+00 -1.710307281e+00 -1.700584223e+00 3.28 -1.299463747e+00 -1.675149597e+00 -1.665672001e+00 3.30 -1.267955017e+00 -1.640567976e+00 -1.633435542e+00 3.32 -1.235508097e+00 -1.606683714e+00 -1.603892116e+00 3.34 -1.202160036e+00 -1.573453072e+00 -1.576798116e+00 3.36 -1.167943186e+00 -1.540794916e+00 -1.551852488e+00 3.38 -1.132897933e+00 -1.508633133e+00 -1.528756033e+00 3.40 -1.097068884e+00 -1.476896379e+00 -1.507208965e+00 3.42 -1.060500147e+00 -1.445517692e+00 -1.486913074e+00 3.44 -1.023232535e+00 -1.414433895e+00 -1.467573811e+00 3.46 -9.853346187e-01 -1.383584883e+00 -1.448902310e+00 3.48 -9.467751835e-01 -1.352912707e+00 -1.430617288e+00 3.50 -9.081314661e-01 -1.322360474e+00 -1.412446790e+00 3.52 -8.706443094e-01 -1.291871085e+00 -1.394129843e+00 3.54 -8.319423065e-01 -1.261385671e+00 -1.375417916e+00 3.56 -7.903181204e-01 -1.230841830e+00 -1.356076261e+00 3.58 -7.468673946e-01 -1.200171562e+00 -1.335885056e+00 3.60 -7.044428650e-01 -1.169298853e+00 -1.314640422e+00 3.62 -6.644486729e-01 -1.138136629e+00 -1.292155202e+00 3.64 -6.271658864e-01 -1.106583525e+00 -1.268259652e+00 3.66 -5.925054608e-01 -1.074540736e+00 -1.242801916e+00 3.68 -5.597500107e-01 -1.041955129e+00 -1.215648229e+00 3.70 -5.288559721e-01 -1.008783884e+00 -1.186683211e+00 3.72 -5.003469433e-01 -9.750026670e-01 -1.155834517e+00 3.74 -4.745956683e-01 -9.406547928e-01 -1.123145969e+00 3.76 -4.507585355e-01 -9.058015692e-01 -1.088704613e+00 3.78 -4.265052092e-01 -8.705042455e-01 -1.052614609e+00 3.80 -4.007180902e-01 -8.348293556e-01 -1.014996589e+00 3.82 -3.730762991e-01 -7.988402883e-01 -9.759867646e-01 3.84 -3.436853175e-01 -7.625156640e-01 -9.357338460e-01 3.86 -3.136748393e-01 -7.257026844e-01 -8.943932908e-01 3.88 -2.846468032e-01 -6.893936274e-01 -8.521232967e-01 3.90 -2.575942834e-01 -6.560027043e-01 -8.088525690e-01 3.92 -2.330548421e-01 -6.234601267e-01 -7.652411197e-01 3.94 -2.112484151e-01 -5.855889761e-01 -7.250827848e-01 3.96 -1.921813638e-01 -5.398984491e-01 -6.851734155e-01 3.98 -1.757233057e-01 -4.889646659e-01 -6.365534319e-01 4.00 -1.616622974e-01 -4.388455690e-01 -5.781953040e-01 4.02 -1.497430080e-01 -3.933780208e-01 -5.173622179e-01 4.04 -1.396921398e-01 -3.539074445e-01 -4.616335706e-01 4.06 -1.312342610e-01 -3.204375713e-01 -4.137904765e-01 4.08 -1.241010148e-01 -2.923481220e-01 -3.740307220e-01 4.10 -1.180356406e-01 -2.688056735e-01 -3.414438546e-01 4.12 -1.127947687e-01 -2.489671078e-01 -3.147877955e-01 4.14 -1.081486017e-01 -2.320545184e-01 -2.928317087e-01 4.16 -1.038804147e-01 -2.173647425e-01 -2.744563811e-01 4.18 -9.978596967e-02 -2.042491602e-01 -2.586404520e-01 4.20 -9.567329839e-02 -1.920874914e-01 -2.444123615e-01 4.22 -9.138601289e-02 -1.803817059e-01 -2.309803322e-01 4.24 -8.687363188e-02 -1.690880491e-01 -2.182263219e-01 4.26 -8.212251843e-02 -1.582735723e-01 -2.061918235e-01 4.28 -7.713306485e-02 -1.480009350e-01 -1.949072199e-01 4.30 -7.191963702e-02 -1.383267085e-01 -1.843917006e-01 4.32 -6.651018950e-02 -1.292997242e-01 -1.746534718e-01 4.34 -6.094540913e-02 -1.209592455e-01 -1.656899514e-01 4.36 -5.527790847e-02 -1.133333458e-01 -1.574882432e-01 4.38 -4.957035622e-02 -1.064372597e-01 -1.500256014e-01 4.40 -4.389310253e-02 -1.002720129e-01 -1.432701312e-01 4.42 -3.832166824e-02 -9.482336660e-02 -1.371815783e-01 4.44 -3.293395696e-02 -9.006115231e-02 -1.317121983e-01 4.46 -2.780718356e-02 -8.593921931e-02 -1.268077501e-01 4.48 -2.301457012e-02 -8.239608666e-02 -1.224085475e-01 4.50 -1.862204159e-02 -7.935659863e-02 -1.184506375e-01 4.52 -1.468485791e-02 -7.673460998e-02 -1.148669495e-01 4.54 -1.124448234e-02 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-1.040599563e-04 5.26 -1.462152134e-07 -1.493227529e-05 -2.239841293e-05 5.28 -1.829097484e-08 -1.031246628e-06 -1.546869942e-06 5.30 -1.700311861e-13 -7.607990251e-13 -1.387579479e-12 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 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