# 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_000 # 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 8.590037205e+03 3.526239394e+03 6.940156261e+03 8.590443063e+03 8.590861856e+03 2.840544791e+03 4.251873644e+03 7.393670531e+03 2.565538830e+03 4.532903178e+03 0.52 6.324690175e+03 2.507402454e+03 5.069921255e+03 6.325083847e+03 6.325532284e+03 2.088645851e+03 3.079862001e+03 5.410031553e+03 1.855980604e+03 3.310021801e+03 0.54 4.652588535e+03 1.779620455e+03 3.699790407e+03 4.653001329e+03 4.653397186e+03 1.534982014e+03 2.229616735e+03 3.954409279e+03 1.342329223e+03 2.416451130e+03 0.56 3.418536614e+03 1.259930639e+03 2.695736424e+03 3.418769208e+03 3.418998922e+03 1.126843113e+03 1.612416733e+03 2.886319863e+03 9.700834376e+02 1.762736453e+03 0.58 2.507756421e+03 8.890110297e+02 1.960485762e+03 2.507792687e+03 2.507828953e+03 8.259859011e+02 1.164303838e+03 2.102714058e+03 6.999905088e+02 1.284018655e+03 0.60 1.835805191e+03 6.245001803e+02 1.422510502e+03 1.835690237e+03 1.835575283e+03 6.042881472e+02 8.388579426e+02 1.528025929e+03 5.039737842e+02 9.335282351e+02 0.62 1.340194167e+03 4.362100922e+02 1.029248497e+03 1.340079113e+03 1.339964058e+03 4.410238946e+02 6.024556996e+02 1.106843491e+03 3.617787236e+02 6.768208469e+02 0.64 9.749959071e+02 3.026146489e+02 7.421113348e+02 9.749756494e+02 9.749553916e+02 3.209350704e+02 4.307953071e+02 7.986377007e+02 2.586926802e+02 4.888934867e+02 0.66 7.065068328e+02 2.081556539e+02 5.326422570e+02 7.065522696e+02 7.065977065e+02 2.326442599e+02 3.062738000e+02 5.735982100e+02 1.840746568e+02 3.516500388e+02 0.68 5.094732579e+02 1.415570797e+02 3.800741813e+02 5.095575767e+02 5.096418955e+02 1.678438260e+02 2.161660461e+02 4.095916005e+02 1.301615860e+02 2.515688995e+02 0.70 3.651367497e+02 9.474525295e+01 2.691465734e+02 3.652414601e+02 3.653461706e+02 1.203934595e+02 1.512117035e+02 2.903670877e+02 9.130535885e+01 1.787088338e+02 0.72 2.597169678e+02 6.200813934e+01 1.886984250e+02 2.597946966e+02 2.598724253e+02 8.571578599e+01 1.045323988e+02 2.039392759e+02 6.336706124e+01 1.258276483e+02 0.74 1.829293153e+02 3.922131355e+01 1.305364818e+02 1.829420743e+02 1.829548334e+02 6.043035600e+01 7.112835785e+01 1.414978293e+02 4.337434474e+01 8.756862706e+01 0.76 1.271750000e+02 2.346566068e+01 8.882209557e+01 1.271473863e+02 1.271197727e+02 4.213301514e+01 4.739247067e+01 9.653411880e+01 2.916387236e+01 5.998159336e+01 0.78 8.683365258e+01 1.273488523e+01 5.905757072e+01 8.678965275e+01 8.674565291e+01 2.892880279e+01 3.066091861e+01 6.427183143e+01 1.911971102e+01 4.019931991e+01 0.80 5.774622529e+01 5.568725696e+00 3.796593647e+01 5.771088297e+01 5.767554065e+01 1.944372860e+01 1.898790323e+01 4.127459002e+01 1.209528055e+01 2.611802424e+01 0.82 3.692066859e+01 9.012403284e-01 2.313561285e+01 3.690780870e+01 3.689494882e+01 1.265366923e+01 1.094129781e+01 2.511180816e+01 7.232973103e+00 1.620539208e+01 0.84 2.227105156e+01 -2.022389456e+00 1.279797621e+01 2.226961179e+01 2.226817202e+01 7.800091505e+00 5.474088768e+00 1.392047860e+01 3.885582227e+00 9.363943795e+00 0.86 1.209993005e+01 -3.752179719e+00 5.663903182e+00 1.209993005e+01 1.209993005e+01 4.327879671e+00 1.807016146e+00 6.302034141e+00 1.595785986e+00 4.724401581e+00 0.88 5.161152667e+00 -4.674706502e+00 8.913355134e-01 5.161152667e+00 5.161152667e+00 1.927145320e+00 -5.610755687e-01 1.232594661e+00 8.010105764e-02 1.650151394e+00 0.90 5.297710201e-01 -5.051456240e+00 -2.190766822e+00 5.297710201e-01 5.297710201e-01 3.115966260e-01 -2.020373907e+00 -2.040971609e+00 -8.869235548e-01 -3.426427768e-01 0.92 -2.459541167e+00 -5.061923246e+00 -4.086489232e+00 -2.459541167e+00 -2.459541167e+00 -7.416773815e-01 -2.858349599e+00 -4.058082419e+00 -1.478014132e+00 -1.581534117e+00 0.94 -4.297049194e+00 -4.837857129e+00 -5.153790564e+00 -4.297049194e+00 -4.297049194e+00 -1.395868891e+00 -3.286215762e+00 -5.209557423e+00 -1.818107828e+00 -2.312688376e+00 0.96 -5.340562943e+00 -4.472601573e+00 -5.642860711e+00 -5.340562943e+00 -5.340562943e+00 -1.770018287e+00 -3.454893134e+00 -5.765198761e+00 -1.957203236e+00 -2.716043595e+00 0.98 -5.850130595e+00 -4.027916800e+00 -5.734432291e+00 -5.850130595e+00 -5.850130595e+00 -1.950578717e+00 -3.417803177e+00 -5.929064916e+00 -1.959172531e+00 -2.922656964e+00 1.00 -6.000000000e+00 -3.543664382e+00 -5.561231260e+00 -6.000000000e+00 -6.000000000e+00 -2.000000000e+00 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