# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = FKRb2 # 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 2022-05-24 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 1.254667764e+05 1.254667764e+05 1.28 1.009637679e+05 1.009637679e+05 1.30 8.151952563e+04 8.151952563e+04 1.32 6.603607291e+04 6.603607291e+04 1.34 5.366375012e+04 5.366375012e+04 1.36 4.374524908e+04 4.374524908e+04 1.38 3.576808594e+04 3.576808594e+04 1.40 2.933215109e+04 2.933215109e+04 1.42 2.412419516e+04 2.412419516e+04 1.44 1.989750666e+04 1.989750666e+04 1.46 1.645695134e+04 1.645695134e+04 1.48 1.364871175e+04 1.364871175e+04 1.50 1.135044467e+04 1.135044467e+04 1.52 9.464371836e+03 9.464371836e+03 1.54 7.912272883e+03 7.912272883e+03 1.56 6.632082629e+03 6.632082629e+03 1.58 5.573535722e+03 5.573535722e+03 1.60 4.696091371e+03 4.696091371e+03 1.62 3.966974614e+03 3.966974614e+03 1.64 3.359671308e+03 3.359671308e+03 1.66 2.852674304e+03 2.852674304e+03 1.68 2.428450675e+03 2.428450675e+03 1.70 2.072675937e+03 2.072675937e+03 1.72 1.773594188e+03 1.773594188e+03 1.74 1.521505568e+03 1.521505568e+03 1.76 1.308669538e+03 1.308669538e+03 1.78 1.128595711e+03 1.128595711e+03 1.80 9.759056686e+02 9.759056686e+02 1.82 8.461451879e+02 8.461451879e+02 1.84 7.356221389e+02 7.356221389e+02 1.86 6.412380509e+02 6.412380509e+02 1.88 5.604896659e+02 5.604896659e+02 1.90 4.912455441e+02 4.912455441e+02 1.92 4.317536231e+02 4.317536231e+02 1.94 3.805251582e+02 3.805251582e+02 1.96 3.363114369e+02 3.363114369e+02 1.98 2.980638897e+02 2.980638897e+02 2.00 2.649002485e+02 2.649002485e+02 2.02 2.360671156e+02 2.360671156e+02 2.04 2.109414281e+02 2.109414281e+02 2.06 1.890019352e+02 1.890019352e+02 2.08 1.697940634e+02 1.697940634e+02 2.10 1.529267458e+02 1.529267458e+02 2.12 1.380913199e+02 1.380913199e+02 2.14 1.250103796e+02 1.250103796e+02 2.16 1.134481681e+02 1.134481681e+02 2.18 1.032023074e+02 1.032023074e+02 2.20 9.409973580e+01 9.409973580e+01 2.22 8.599213563e+01 8.599213563e+01 2.24 7.874115208e+01 7.874115208e+01 2.26 7.224475062e+01 7.224475062e+01 2.28 6.641591227e+01 6.641591227e+01 2.30 6.117263244e+01 6.117263244e+01 2.32 5.644377028e+01 5.644377028e+01 2.34 5.216832110e+01 5.216832110e+01 2.36 4.829278056e+01 4.829278056e+01 2.38 4.477154330e+01 4.477154330e+01 2.40 4.156456280e+01 4.156456280e+01 2.42 3.863669613e+01 3.863669613e+01 2.44 3.595807390e+01 3.595807390e+01 2.46 3.350209327e+01 3.350209327e+01 2.48 3.124472294e+01 3.124472294e+01 2.50 2.916647619e+01 2.916647619e+01 2.52 2.724952352e+01 2.724952352e+01 2.54 2.547733997e+01 2.547733997e+01 2.56 2.383322980e+01 2.383322980e+01 2.58 2.230970986e+01 2.230970986e+01 2.60 2.089571997e+01 2.089571997e+01 2.62 1.958159071e+01 1.958159071e+01 2.64 1.835902292e+01 1.835902292e+01 2.66 1.722032509e+01 1.722032509e+01 2.68 1.615863719e+01 1.615863719e+01 2.70 1.516779402e+01 1.516779402e+01 2.72 1.424227702e+01 1.424227702e+01 2.74 1.337711420e+01 1.337711420e+01 2.76 1.256780978e+01 1.256780978e+01 2.78 1.181028380e+01 1.181028380e+01 2.80 1.109995587e+01 1.109995587e+01 2.82 1.043383499e+01 1.043383499e+01 2.84 9.809468071e+00 9.809468071e+00 2.86 9.223647975e+00 9.223647975e+00 2.88 8.673924139e+00 8.673924139e+00 2.90 8.158133401e+00 8.158133401e+00 2.92 7.673935895e+00 7.673935895e+00 2.94 7.219165955e+00 7.219165955e+00 2.96 6.791815488e+00 6.791815488e+00 2.98 6.390019793e+00 6.390019793e+00 3.00 6.012045499e+00 6.012045499e+00 3.02 5.656280291e+00 5.656280291e+00 3.04 5.320281335e+00 5.320281335e+00 3.06 5.003565065e+00 5.003565065e+00 3.08 4.705025980e+00 4.705025980e+00 3.10 4.423462639e+00 4.423462639e+00 3.12 4.157732512e+00 4.157732512e+00 3.14 3.906782939e+00 3.906782939e+00 3.16 3.669634643e+00 3.669634643e+00 3.18 3.445348933e+00 3.445348933e+00 3.20 3.233096704e+00 3.233096704e+00 3.22 3.032173208e+00 3.032173208e+00 3.24 2.841848758e+00 2.841848758e+00 3.26 2.661408998e+00 2.661408998e+00 3.28 2.490380619e+00 2.490380619e+00 3.30 2.328216938e+00 2.328216938e+00 3.32 2.174416728e+00 2.174416728e+00 3.34 2.028519763e+00 2.028519763e+00 3.36 1.890102538e+00 1.890102538e+00 3.38 1.758774209e+00 1.758774209e+00 3.40 1.634172778e+00 1.634172778e+00 3.42 1.515961723e+00 1.515961723e+00 3.44 1.403826391e+00 1.403826391e+00 3.46 1.297471341e+00 1.297471341e+00 3.48 1.196617924e+00 1.196617924e+00 3.50 1.101002117e+00 1.101002117e+00 3.52 1.010372773e+00 1.010372773e+00 3.54 9.244887675e-01 9.244887675e-01 3.56 8.431195189e-01 8.431195189e-01 3.58 7.660433455e-01 7.660433455e-01 3.60 6.930468903e-01 6.930468903e-01 3.62 6.238569729e-01 6.238569729e-01 3.64 5.583528421e-01 5.583528421e-01 3.66 4.963435622e-01 4.963435622e-01 3.68 4.375510162e-01 4.375510162e-01 3.70 3.817746675e-01 3.817746675e-01 3.72 3.290063046e-01 3.290063046e-01 3.74 2.790752582e-01 2.790752582e-01 3.76 2.317258191e-01 2.317258191e-01 3.78 1.867354058e-01 1.867354058e-01 3.80 1.441830613e-01 1.441830613e-01 3.82 1.039223815e-01 1.039223815e-01 3.84 6.581742281e-02 6.581742281e-02 3.86 2.974228776e-02 2.974228776e-02 3.88 -4.419318700e-03 -4.419318700e-03 3.90 -3.677456123e-02 -3.677456123e-02 3.92 -6.742197084e-02 -6.742197084e-02 3.94 -9.645196212e-02 -9.645196212e-02 3.96 -1.239473661e-01 -1.239473661e-01 3.98 -1.500325186e-01 -1.500325186e-01 4.00 -1.748599429e-01 -1.748599429e-01 4.02 -1.984812157e-01 -1.984812157e-01 4.04 -2.207838272e-01 -2.207838272e-01 4.06 -2.418269631e-01 -2.418269631e-01 4.08 -2.616655157e-01 -2.616655157e-01 4.10 -2.803493623e-01 -2.803493623e-01 4.12 -2.979243548e-01 -2.979243548e-01 4.14 -3.144328006e-01 -3.144328006e-01 4.16 -3.299139079e-01 -3.299139079e-01 4.18 -3.444034214e-01 -3.444034214e-01 4.20 -3.579362810e-01 -3.579362810e-01 4.22 -3.705448345e-01 -3.705448345e-01 4.24 -3.822595585e-01 -3.822595585e-01 4.26 -3.931094792e-01 -3.931094792e-01 4.28 -4.031223907e-01 -4.031223907e-01 4.30 -4.123250396e-01 -4.123250396e-01 4.32 -4.207494230e-01 -4.207494230e-01 4.34 -4.284631688e-01 -4.284631688e-01 4.36 -4.354310756e-01 -4.354310756e-01 4.38 -4.416787018e-01 -4.416787018e-01 4.40 -4.472308593e-01 -4.472308593e-01 4.42 -4.521116747e-01 -4.521116747e-01 4.44 -4.563446456e-01 -4.563446456e-01 4.46 -4.599526838e-01 -4.599526838e-01 4.48 -4.629581505e-01 -4.629581505e-01 4.50 -4.654773337e-01 -4.654773337e-01 4.52 -4.674516534e-01 -4.674516534e-01 4.54 -4.688650267e-01 -4.688650267e-01 4.56 -4.697414373e-01 -4.697414373e-01 4.58 -4.701039107e-01 -4.701039107e-01 4.60 -4.699745790e-01 -4.699745790e-01 4.62 -4.693747419e-01 -4.693747419e-01 4.64 -4.683249246e-01 -4.683249246e-01 4.66 -4.668449326e-01 -4.668449326e-01 4.68 -4.649539040e-01 -4.649539040e-01 4.70 -4.626703585e-01 -4.626703585e-01 4.72 -4.600122430e-01 -4.600122430e-01 4.74 -4.569969752e-01 -4.569969752e-01 4.76 -4.536414837e-01 -4.536414837e-01 4.78 -4.499622449e-01 -4.499622449e-01 4.80 -4.459753170e-01 -4.459753170e-01 4.82 -4.416963710e-01 -4.416963710e-01 4.84 -4.371406933e-01 -4.371406933e-01 4.86 -4.323232960e-01 -4.323232960e-01 4.88 -4.272732512e-01 -4.272732512e-01 4.90 -4.220413778e-01 -4.220413778e-01 4.92 -4.165806602e-01 -4.165806602e-01 4.94 -4.109062109e-01 -4.109062109e-01 4.96 -4.050325281e-01 -4.050325281e-01 4.98 -3.989741548e-01 -3.989741548e-01 5.00 -3.927451476e-01 -3.927451476e-01 5.02 -3.863591541e-01 -3.863591541e-01 5.04 -3.798294922e-01 -3.798294922e-01 5.06 -3.731691574e-01 -3.731691574e-01 5.08 -3.663908283e-01 -3.663908283e-01 5.10 -3.595068695e-01 -3.595068695e-01 5.12 -3.525293329e-01 -3.525293329e-01 5.14 -3.454699569e-01 -3.454699569e-01 5.16 -3.383401645e-01 -3.383401645e-01 5.18 -3.311510600e-01 -3.311510600e-01 5.20 -3.239134252e-01 -3.239134252e-01 5.22 -3.166377150e-01 -3.166377150e-01 5.24 -3.093340526e-01 -3.093340526e-01 5.26 -3.020126000e-01 -3.020126000e-01 5.28 -2.946823906e-01 -2.946823906e-01 5.30 -2.873524919e-01 -2.873524919e-01 5.32 -2.800316699e-01 -2.800316699e-01 5.34 -2.727283390e-01 -2.727283390e-01 5.36 -2.654505615e-01 -2.654505615e-01 5.38 -2.582060468e-01 -2.582060468e-01 5.40 -2.510021523e-01 -2.510021523e-01 5.42 -2.438458857e-01 -2.438458857e-01 5.44 -2.367439077e-01 -2.367439077e-01 5.46 -2.297025367e-01 -2.297025367e-01 5.48 -2.227277535e-01 -2.227277535e-01 5.50 -2.158252082e-01 -2.158252082e-01 5.52 -2.090002268e-01 -2.090002268e-01 5.54 -2.022578194e-01 -2.022578194e-01 5.56 -1.956026891e-01 -1.956026891e-01 5.58 -1.890392402e-01 -1.890392402e-01 5.60 -1.825715889e-01 -1.825715889e-01 5.62 -1.762035719e-01 -1.762035719e-01 5.64 -1.699387569e-01 -1.699387569e-01 5.66 -1.637804519e-01 -1.637804519e-01 5.68 -1.577317152e-01 -1.577317152e-01 5.70 -1.517953641e-01 -1.517953641e-01 5.72 -1.459739842e-01 -1.459739842e-01 5.74 -1.402699374e-01 -1.402699374e-01 5.76 -1.346853697e-01 -1.346853697e-01 5.78 -1.292222184e-01 -1.292222184e-01 5.80 -1.238822183e-01 -1.238822183e-01 5.82 -1.186669075e-01 -1.186669075e-01 5.84 -1.135776322e-01 -1.135776322e-01 5.86 -1.086155514e-01 -1.086155514e-01 5.88 -1.037816398e-01 -1.037816398e-01 5.90 -9.907669153e-02 -9.907669153e-02 5.92 -9.450132217e-02 -9.450132217e-02 5.94 -9.005597082e-02 -9.005597082e-02 5.96 -8.574090173e-02 -8.574090173e-02 5.98 -8.155620557e-02 -8.155620557e-02 6.00 -7.750180051e-02 -7.750180051e-02