# 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 = IdLiNa2 # 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 nan nan 1.28 nan nan 1.30 2.845973625e+05 2.845973625e+05 1.32 nan nan 1.34 1.681336510e+05 1.681336510e+05 1.36 1.299982893e+05 1.299982893e+05 1.38 1.008958060e+05 1.008958060e+05 1.40 7.859917481e+04 7.859917481e+04 1.42 6.145133857e+04 6.145133857e+04 1.44 4.821415340e+04 4.821415340e+04 1.46 3.795869823e+04 3.795869823e+04 1.48 2.998527347e+04 2.998527347e+04 1.50 2.376466510e+04 2.376466510e+04 1.52 1.889521567e+04 1.889521567e+04 1.54 1.507096628e+04 1.507096628e+04 1.56 1.205786892e+04 1.205786892e+04 1.58 9.676450505e+03 9.676450505e+03 1.60 7.788524967e+03 7.788524967e+03 1.62 6.287313909e+03 6.287313909e+03 1.64 5.090075471e+03 5.090075471e+03 1.66 4.132508663e+03 4.132508663e+03 1.68 3.364480092e+03 3.364480092e+03 1.70 2.746737857e+03 2.746737857e+03 1.72 2.248510133e+03 2.248510133e+03 1.74 1.845577595e+03 1.845577595e+03 1.76 1.518866103e+03 1.518866103e+03 1.78 1.253257774e+03 1.253257774e+03 1.80 1.036762335e+03 1.036762335e+03 1.82 8.598460293e+02 8.598460293e+02 1.84 7.149057384e+02 7.149057384e+02 1.86 5.958613018e+02 5.958613018e+02 1.88 4.978458196e+02 4.978458196e+02 1.90 4.169464424e+02 4.169464424e+02 1.92 3.500093158e+02 3.500093158e+02 1.94 2.944898065e+02 2.944898065e+02 1.96 2.483273514e+02 2.483273514e+02 1.98 2.098534711e+02 2.098534711e+02 2.00 1.777120860e+02 1.777120860e+02 2.02 1.507954371e+02 1.507954371e+02 2.04 1.282012080e+02 1.282012080e+02 2.06 1.091903684e+02 1.091903684e+02 2.08 9.315685095e+01 9.315685095e+01 2.10 7.960210174e+01 7.960210174e+01 2.12 6.811672105e+01 6.811672105e+01 2.14 5.836293478e+01 5.836293478e+01 2.16 5.005768012e+01 5.005768012e+01 2.18 4.297135569e+01 4.297135569e+01 2.20 3.691119565e+01 3.691119565e+01 2.22 3.171661425e+01 3.171661425e+01 2.24 2.725339484e+01 2.725339484e+01 2.26 2.341038547e+01 2.341038547e+01 2.28 2.009452027e+01 2.009452027e+01 2.30 1.722704987e+01 1.722704987e+01 2.32 1.474259633e+01 1.474259633e+01 2.34 1.258557453e+01 1.258557453e+01 2.36 1.070908787e+01 1.070908787e+01 2.38 9.072004896e+00 9.072004896e+00 2.40 7.642783938e+00 7.642783938e+00 2.42 6.393036305e+00 6.393036305e+00 2.44 5.298574961e+00 5.298574961e+00 2.46 4.338754012e+00 4.338754012e+00 2.48 3.495711639e+00 3.495711639e+00 2.50 2.754187272e+00 2.754187272e+00 2.52 2.101388233e+00 2.101388233e+00 2.54 1.526627418e+00 1.526627418e+00 2.56 1.020267861e+00 1.020267861e+00 2.58 5.739512370e-01 5.739512370e-01 2.60 1.801032494e-01 1.801032494e-01 2.62 -1.674640399e-01 -1.674640399e-01 2.64 -4.741354742e-01 -4.741354742e-01 2.66 -7.446518819e-01 -7.446518819e-01 2.68 -9.831473576e-01 -9.831473576e-01 2.70 -1.193299338e+00 -1.193299338e+00 2.72 -1.378323988e+00 -1.378323988e+00 2.74 -1.541037285e+00 -1.541037285e+00 2.76 -1.683907403e+00 -1.683907403e+00 2.78 -1.809099811e+00 -1.809099811e+00 2.80 -1.918526931e+00 -1.918526931e+00 2.82 -2.013917664e+00 -2.013917664e+00 2.84 -2.096654143e+00 -2.096654143e+00 2.86 -2.168037824e+00 -2.168037824e+00 2.88 -2.229142000e+00 -2.229142000e+00 2.90 -2.281058279e+00 -2.281058279e+00 2.92 -2.324739174e+00 -2.324739174e+00 2.94 -2.361758707e+00 -2.361758707e+00 2.96 -2.391940861e+00 -2.391940861e+00 2.98 -2.415829744e+00 -2.415829744e+00 3.00 -2.434018282e+00 -2.434018282e+00 3.02 -2.447038482e+00 -2.447038482e+00 3.04 -2.455369090e+00 -2.455369090e+00 3.06 -2.459442102e+00 -2.459442102e+00 3.08 -2.459648064e+00 -2.459648064e+00 3.10 -2.456341777e+00 -2.456341777e+00 3.12 -2.449845107e+00 -2.449845107e+00 3.14 -2.440450761e+00 -2.440450761e+00 3.16 -2.428425113e+00 -2.428425113e+00 3.18 -2.414202601e+00 -2.414202601e+00 3.20 -2.397908678e+00 -2.397908678e+00 3.22 -2.379596893e+00 -2.379596893e+00 3.24 -2.359495268e+00 -2.359495268e+00 3.26 -2.337765579e+00 -2.337765579e+00 3.28 -2.314756338e+00 -2.314756338e+00 3.30 -2.290415697e+00 -2.290415697e+00 3.32 -2.264752753e+00 -2.264752753e+00 3.34 -2.237897751e+00 -2.237897751e+00 3.36 -2.209966843e+00 -2.209966843e+00 3.38 -2.181063701e+00 -2.181063701e+00 3.40 -2.151281048e+00 -2.151281048e+00 3.42 -2.120702130e+00 -2.120702130e+00 3.44 -2.089402084e+00 -2.089402084e+00 3.46 -2.057449451e+00 -2.057449451e+00 3.48 -2.024946568e+00 -2.024946568e+00 3.50 -1.991930503e+00 -1.991930503e+00 3.52 -1.958424759e+00 -1.958424759e+00 3.54 -1.924485384e+00 -1.924485384e+00 3.56 -1.890164266e+00 -1.890164266e+00 3.58 -1.855510665e+00 -1.855510665e+00 3.60 -1.820572915e+00 -1.820572915e+00 3.62 -1.785398783e+00 -1.785398783e+00 3.64 -1.750035713e+00 -1.750035713e+00 3.66 -1.714530955e+00 -1.714530955e+00 3.68 -1.678931587e+00 -1.678931587e+00 3.70 -1.643284448e+00 -1.643284448e+00 3.72 -1.607716241e+00 -1.607716241e+00 3.74 -1.572196322e+00 -1.572196322e+00 3.76 -1.536748923e+00 -1.536748923e+00 3.78 -1.501420534e+00 -1.501420534e+00 3.80 -1.466254675e+00 -1.466254675e+00 3.82 -1.431295142e+00 -1.431295142e+00 3.84 -1.396582045e+00 -1.396582045e+00 3.86 -1.362152813e+00 -1.362152813e+00 3.88 -1.328042004e+00 -1.328042004e+00 3.90 -1.294281139e+00 -1.294281139e+00 3.92 -1.260898572e+00 -1.260898572e+00 3.94 -1.227919421e+00 -1.227919421e+00 3.96 -1.195388197e+00 -1.195388197e+00 3.98 -1.163393823e+00 -1.163393823e+00 4.00 -1.131835879e+00 -1.131835879e+00 4.02 -1.100730594e+00 -1.100730594e+00 4.04 -1.070090938e+00 -1.070090938e+00 4.06 -1.039926896e+00 -1.039926896e+00 4.08 -1.010245776e+00 -1.010245776e+00 4.10 -9.810573905e-01 -9.810573905e-01 4.12 -9.523621900e-01 -9.523621900e-01 4.14 -9.241576265e-01 -9.241576265e-01 4.16 -8.964436927e-01 -8.964436927e-01 4.18 -8.692192751e-01 -8.692192751e-01 4.20 -8.424824367e-01 -8.424824367e-01 4.22 -8.162306744e-01 -8.162306744e-01 4.24 -7.904611460e-01 -7.904611460e-01 4.26 -7.651708656e-01 -7.651708656e-01 4.28 -7.403568656e-01 -7.403568656e-01 4.30 -7.160163259e-01 -7.160163259e-01 4.32 -6.921466707e-01 -6.921466707e-01 4.34 -6.687455366e-01 -6.687455366e-01 4.36 -6.458110844e-01 -6.458110844e-01 4.38 -6.233417993e-01 -6.233417993e-01 4.40 -6.013364803e-01 -6.013364803e-01 4.42 -5.797942536e-01 -5.797942536e-01 4.44 -5.587145325e-01 -5.587145325e-01 4.46 -5.380969640e-01 -5.380969640e-01 4.48 -5.179413686e-01 -5.179413686e-01 4.50 -4.983343792e-01 -4.983343792e-01 4.52 -4.792011116e-01 -4.792011116e-01 4.54 -4.605091226e-01 -4.605091226e-01 4.56 -4.422668927e-01 -4.422668927e-01 4.58 -4.244760274e-01 -4.244760274e-01 4.60 -4.071319920e-01 -4.071319920e-01 4.62 -3.902363906e-01 -3.902363906e-01 4.64 -3.737903144e-01 -3.737903144e-01 4.66 -3.577941499e-01 -3.577941499e-01 4.68 -3.422475976e-01 -3.422475976e-01 4.70 -3.271496935e-01 -3.271496935e-01 4.72 -3.124988321e-01 -3.124988321e-01 4.74 -2.982927901e-01 -2.982927901e-01 4.76 -2.845287513e-01 -2.845287513e-01 4.78 -2.712033334e-01 -2.712033334e-01 4.80 -2.583126143e-01 -2.583126143e-01 4.82 -2.458521605e-01 -2.458521605e-01 4.84 -2.338170546e-01 -2.338170546e-01 4.86 -2.222019245e-01 -2.222019245e-01 4.88 -2.110009718e-01 -2.110009718e-01 4.90 -2.002080008e-01 -2.002080008e-01 4.92 -1.898164472e-01 -1.898164472e-01 4.94 -1.798194070e-01 -1.798194070e-01 4.96 -1.702094173e-01 -1.702094173e-01 4.98 -1.609781774e-01 -1.609781774e-01 5.00 -1.521191495e-01 -1.521191495e-01 5.02 -1.436243306e-01 -1.436243306e-01 5.04 -1.354855152e-01 -1.354855152e-01 5.06 -1.276943202e-01 -1.276943202e-01 5.08 -1.202422090e-01 -1.202422090e-01 5.10 -1.131205155e-01 -1.131205155e-01 5.12 -1.063204665e-01 -1.063204665e-01 5.14 -9.983320365e-02 -9.983320365e-02 5.16 -9.364980431e-02 -9.364980431e-02 5.18 -8.776130162e-02 -8.776130162e-02 5.20 -8.215870372e-02 -8.215870372e-02 5.22 -7.683301204e-02 -7.683301204e-02 5.24 -7.177523880e-02 -7.177523880e-02 5.26 -6.697642362e-02 -6.697642362e-02 5.28 -6.242764932e-02 -6.242764932e-02 5.30 -5.812005692e-02 -5.812005692e-02 5.32 -5.404485991e-02 -5.404485991e-02 5.34 -5.019335763e-02 -5.019335763e-02 5.36 -4.655694802e-02 -4.655694802e-02 5.38 -4.312713960e-02 -4.312713960e-02 5.40 -3.989556271e-02 -3.989556271e-02 5.42 -3.685398008e-02 -3.685398008e-02 5.44 -3.399429665e-02 -3.399429665e-02 5.46 -3.130856879e-02 -3.130856879e-02 5.48 -2.878901279e-02 -2.878901279e-02 5.50 -2.642801267e-02 -2.642801267e-02 5.52 -2.421812739e-02 -2.421812739e-02 5.54 -2.215252271e-02 -2.215252271e-02 5.56 -2.022371486e-02 -2.022371486e-02 5.58 -1.842473492e-02 -1.842473492e-02 5.60 -1.679297669e-02 -1.679297669e-02 5.62 -1.543164967e-02 -1.543164967e-02 5.64 -1.415730160e-02 -1.415730160e-02 5.66 -1.296607915e-02 -1.296607915e-02 5.68 -1.185419019e-02 -1.185419019e-02 5.70 -1.081788015e-02 -1.081788015e-02 5.72 -9.853444076e-03 -9.853444076e-03 5.74 -8.957237729e-03 -8.957237729e-03 5.76 -8.125687599e-03 -8.125687599e-03 5.78 -7.355299963e-03 -7.355299963e-03 5.80 -6.642668919e-03 -6.642668919e-03 5.82 -5.984483428e-03 -5.984483428e-03 5.84 -5.377533374e-03 -5.377533374e-03 5.86 -4.818714687e-03 -4.818714687e-03 5.88 -4.305033537e-03 -4.305033537e-03 5.90 -3.833609656e-03 -3.833609656e-03 5.92 -3.401678823e-03 -3.401678823e-03 5.94 -3.006594554e-03 -3.006594554e-03 5.96 -2.645829047e-03 -2.645829047e-03 5.98 -2.316973441e-03 -2.316973441e-03 6.00 -2.017737431e-03 -2.017737431e-03