# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Rajan-V-P-Warner-D-H-Curtin-W-A--fictional-toy-b # implementation = TIDP_RajanWarnerCurtin_2016B_User01__MO_217710069583_001 # composition = user01 # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 8.555024251e+03 3.513069087e+03 6.912425746e+03 8.555429484e+03 8.555847914e+03 2.828947264e+03 4.235192308e+03 7.364007533e+03 2.555463579e+03 4.514763376e+03 0.52 6.299765900e+03 2.498400853e+03 5.050349839e+03 6.300158057e+03 6.300601683e+03 2.080389658e+03 3.068185828e+03 5.389080441e+03 1.848911753e+03 3.297185620e+03 0.54 4.634904289e+03 1.773468774e+03 3.686010001e+03 4.635308650e+03 4.635697699e+03 1.529108897e+03 2.221448049e+03 3.939644946e+03 1.337378098e+03 2.407389231e+03 0.56 3.405988160e+03 1.255738714e+03 2.686070377e+03 3.406221179e+03 3.406450531e+03 1.122684644e+03 1.606716095e+03 2.875928343e+03 9.666141154e+02 1.756329983e+03 0.58 2.498885319e+03 8.861708228e+02 1.953716858e+03 2.498921929e+03 2.498958540e+03 8.230447585e+02 1.160326433e+03 2.095424202e+03 6.975690306e+02 1.279514249e+03 0.60 1.829550263e+03 6.225872683e+02 1.417786885e+03 1.829438770e+03 1.829327277e+03 6.022145395e+02 8.360835080e+02 1.522930672e+03 5.022883292e+02 9.303631597e+02 0.62 1.335800149e+03 4.349284170e+02 1.025962136e+03 1.335689974e+03 1.335579799e+03 4.395697665e+02 6.005320123e+02 1.103300458e+03 3.606075809e+02 6.746018337e+02 0.64 9.719309997e+02 3.017635060e+02 7.398195252e+02 9.719092519e+02 9.718875042e+02 3.199102590e+02 4.294642090e+02 7.961864800e+02 2.578817021e+02 4.873526473e+02 0.66 7.043751456e+02 2.075854892e+02 5.310620703e+02 7.044191571e+02 7.044631686e+02 2.319333771e+02 3.053611783e+02 5.719106044e+02 1.835168230e+02 3.505800107e+02 0.68 5.079995830e+02 1.411767957e+02 3.789876727e+02 5.080821124e+02 5.081646419e+02 1.673513666e+02 2.155453734e+02 4.084353306e+02 1.297792796e+02 2.508295579e+02 0.70 3.641302731e+02 9.449672432e+01 2.684068121e+02 3.642316397e+02 3.643330064e+02 1.200546144e+02 1.507899302e+02 2.895721609e+02 9.104272978e+01 1.782034995e+02 0.72 2.590154806e+02 6.184392886e+01 1.881970535e+02 2.590919828e+02 2.591684851e+02 8.548472821e+01 1.042508840e+02 2.034003365e+02 6.319257407e+01 1.254777216e+02 0.74 1.824508287e+02 3.911365737e+01 1.302092382e+02 1.824649518e+02 1.824790749e+02 6.027935844e+01 7.094318523e+01 1.411343841e+02 4.325888241e+01 8.733017607e+01 0.76 1.268529332e+02 2.339978554e+01 8.859853334e+01 1.268261305e+02 1.267993278e+02 4.202514138e+01 4.726902604e+01 9.629230025e+01 2.908424620e+01 5.982509080e+01 0.78 8.661761271e+01 1.269535204e+01 5.890963885e+01 8.657448853e+01 8.653136434e+01 2.885583706e+01 3.058114363e+01 6.411501729e+01 1.906838001e+01 4.009629743e+01 0.80 5.760286047e+01 5.544444740e+00 3.786870772e+01 5.756837648e+01 5.753389250e+01 1.939434721e+01 1.893746156e+01 4.117945058e+01 1.206221076e+01 2.605171173e+01 0.82 3.683607655e+01 8.872608067e-01 2.307205783e+01 3.682284643e+01 3.680961631e+01 1.262011528e+01 1.091037760e+01 2.505207821e+01 7.207814159e+00 1.616720797e+01 0.84 2.221936884e+01 -2.030595643e+00 1.275661594e+01 2.221753550e+01 2.221570216e+01 7.777159960e+00 5.450244608e+00 1.388476917e+01 3.868085920e+00 9.342517360e+00 0.86 1.206988828e+01 -3.754749026e+00 5.641785002e+00 1.206988828e+01 1.206988828e+01 4.316825153e+00 1.794236904e+00 6.281740461e+00 1.586759394e+00 4.714063381e+00 0.88 5.140493714e+00 -4.675048185e+00 8.783953875e-01 5.140493714e+00 5.140493714e+00 1.920694363e+00 -5.688944580e-01 1.218902309e+00 7.431404853e-02 1.637862793e+00 0.90 5.174704611e-01 -5.050491644e+00 -2.198071448e+00 5.174704611e-01 5.174704611e-01 3.080322647e-01 -2.025217006e+00 -2.049092439e+00 -8.906808952e-01 -3.512042687e-01 0.92 -2.466898006e+00 -5.060217500e+00 -4.088096605e+00 -2.466898006e+00 -2.466898006e+00 -7.434955436e-01 -2.861451906e+00 -4.063062876e+00 -1.480478323e+00 -1.588066065e+00 0.94 -4.301651550e+00 -4.833526217e+00 -5.153238457e+00 -4.301651550e+00 -4.301651550e+00 -1.396685444e+00 -3.288286259e+00 -5.212126304e+00 -1.817362062e+00 -2.318218604e+00 0.96 -5.343754236e+00 -4.467750644e+00 -5.641087124e+00 -5.343754236e+00 -5.343754236e+00 -1.770308551e+00 -3.453184002e+00 -5.767064629e+00 -1.955973527e+00 -2.721119992e+00 0.98 -5.852672761e+00 -4.022655019e+00 -5.732019288e+00 -5.852672761e+00 -5.852672761e+00 -1.950636859e+00 -3.418663149e+00 -5.930723110e+00 -1.957687291e+00 -2.927479654e+00 1.00 -6.000000000e+00 -3.538069240e+00 -5.558526912e+00 -6.000000000e+00 -6.000000000e+00 -2.000000000e+00 -3.256970184e+00 -5.838202686e+00 -1.873977633e+00 -3.000000000e+00 1.02 -5.889393798e+00 -3.045737302e+00 -5.217909278e+00 -5.889393798e+00 -5.889393798e+00 -1.963131266e+00 -3.023895315e+00 -5.572092337e+00 -1.741790639e+00 -2.944696899e+00 1.04 -5.615605679e+00 -2.566618325e+00 -4.781674886e+00 -5.615605679e+00 -5.615605679e+00 -1.871868560e+00 -2.754309964e+00 -5.208763698e+00 -1.585578834e+00 -2.807802839e+00 1.06 -5.248154555e+00 -2.116934805e+00 -4.304002377e+00 -5.248154555e+00 -5.248154555e+00 -1.749384852e+00 -2.473709992e+00 -4.790086631e+00 -1.422936064e+00 -2.624077277e+00 1.08 -4.836777516e+00 -1.710436509e+00 -3.824755490e+00 -4.836777516e+00 -4.836777516e+00 -1.612259172e+00 -2.200997321e+00 -4.340069251e+00 -1.266510719e+00 -2.418388758e+00 1.10 -4.395404420e+00 -1.356383934e+00 -3.354948828e+00 -4.395404420e+00 -4.395404420e+00 -1.465134807e+00 -1.943138125e+00 -3.870783929e+00 -1.119999383e+00 -2.197702210e+00 1.12 -3.934210238e+00 -1.061527838e+00 -2.901719957e+00 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