# 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 = F2LiNa # 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 6.642555147e+03 6.642555147e+03 1.12 5.290516956e+03 nan 1.14 4.231539341e+03 4.231539341e+03 1.16 3.398142238e+03 3.398142238e+03 1.18 2.739490099e+03 2.739490099e+03 1.20 2.216660552e+03 2.216660552e+03 1.22 1.800015947e+03 1.800015947e+03 1.24 1.466500862e+03 1.466500862e+03 1.26 1.198577320e+03 1.198577320e+03 1.28 9.826647383e+02 9.826647383e+02 1.30 8.080473206e+02 8.080473206e+02 1.32 6.663161480e+02 6.663161480e+02 1.34 5.508092347e+02 5.508092347e+02 1.36 4.564792917e+02 4.564792917e+02 1.38 3.792106229e+02 3.792106229e+02 1.40 3.157130148e+02 3.157130148e+02 1.42 2.633380748e+02 2.633380748e+02 1.44 2.200376493e+02 2.200376493e+02 1.46 1.841428459e+02 1.841428459e+02 1.48 1.543247871e+02 1.543247871e+02 1.50 1.294921652e+02 1.294921652e+02 1.52 1.087452049e+02 1.087452049e+02 1.54 9.137198455e+01 9.137198455e+01 1.56 7.680382905e+01 7.680382905e+01 1.58 6.456083000e+01 6.456083000e+01 1.60 5.423662915e+01 5.423662915e+01 1.62 4.551449585e+01 4.551449585e+01 1.64 3.814779996e+01 3.814779996e+01 1.66 3.191181783e+01 3.191181783e+01 1.68 2.662774356e+01 2.662774356e+01 1.70 2.214463726e+01 2.214463726e+01 1.72 1.833954975e+01 1.833954975e+01 1.74 1.510618847e+01 1.510618847e+01 1.76 1.235519597e+01 1.235519597e+01 1.78 1.001286498e+01 1.001286498e+01 1.80 8.015569488e+00 8.015569488e+00 1.82 6.306952539e+00 6.306952539e+00 1.84 4.839928800e+00 4.839928800e+00 1.86 3.585899954e+00 3.585899954e+00 1.88 2.515474037e+00 2.515474037e+00 1.90 1.600967772e+00 1.600967772e+00 1.92 8.183371982e-01 8.183371982e-01 1.94 1.478972672e-01 1.478972672e-01 1.96 -4.265845963e-01 -4.265845963e-01 1.98 -9.193438642e-01 -9.193438642e-01 2.00 -1.342399960e+00 -1.342399960e+00 2.02 -1.705673731e+00 -1.705673731e+00 2.04 -2.017566418e+00 -2.017566418e+00 2.06 -2.285239047e+00 -2.285239047e+00 2.08 -2.514894564e+00 -2.514894564e+00 2.10 -2.713009739e+00 -2.713009739e+00 2.12 -2.881750957e+00 -2.881750957e+00 2.14 -3.025540400e+00 -3.025540400e+00 2.16 -3.147204429e+00 -3.147204429e+00 2.18 -3.249956606e+00 -3.249956606e+00 2.20 -3.334662980e+00 -3.334662980e+00 2.22 -3.403051199e+00 -3.403051199e+00 2.24 -3.456913574e+00 -3.456913574e+00 2.26 -3.497797014e+00 -3.497797014e+00 2.28 -3.527066887e+00 -3.527066887e+00 2.30 -3.546190113e+00 -3.546190113e+00 2.32 -3.555841929e+00 -3.555841929e+00 2.34 -3.557452265e+00 -3.557452265e+00 2.36 -3.552156243e+00 -3.552156243e+00 2.38 -3.540204086e+00 -3.540204086e+00 2.40 -3.521608048e+00 -3.521608048e+00 2.42 -3.497104176e+00 -3.497104176e+00 2.44 -3.467761556e+00 -3.467761556e+00 2.46 -3.433694414e+00 -3.433694414e+00 2.48 -3.395452874e+00 -3.395452874e+00 2.50 -3.353875795e+00 -3.353875795e+00 2.52 -3.308946605e+00 -3.308946605e+00 2.54 -3.261096130e+00 -3.261096130e+00 2.56 -3.210699995e+00 -3.210699995e+00 2.58 -3.158092163e+00 -3.158092163e+00 2.60 -3.103568934e+00 -3.103568934e+00 2.62 -3.047555067e+00 -3.047555067e+00 2.64 -2.990141026e+00 -2.990141026e+00 2.66 -2.931456486e+00 -2.931456486e+00 2.68 -2.871697244e+00 -2.871697244e+00 2.70 -2.811035329e+00 -2.811035329e+00 2.72 -2.749623859e+00 -2.749623859e+00 2.74 -2.687597061e+00 -2.687597061e+00 2.76 -2.625084589e+00 -2.625084589e+00 2.78 -2.562203158e+00 -2.562203158e+00 2.80 -2.499068047e+00 -2.499068047e+00 2.82 -2.435804255e+00 -2.435804255e+00 2.84 -2.372550487e+00 -2.372550487e+00 2.86 -2.309568524e+00 -2.309568524e+00 2.88 -2.246727885e+00 -2.246727885e+00 2.90 -2.184100925e+00 -2.184100925e+00 2.92 -2.121789601e+00 -2.121789601e+00 2.94 -2.059906357e+00 -2.059906357e+00 2.96 -1.998562907e+00 -1.998562907e+00 2.98 -1.937869625e+00 -1.937869625e+00 3.00 -1.877946410e+00 -1.877946410e+00 3.02 -1.819067853e+00 -1.819067853e+00 3.04 -1.761148209e+00 -1.761148209e+00 3.06 -1.704239778e+00 -1.704239778e+00 3.08 -1.648441500e+00 -1.648441500e+00 3.10 -1.593844062e+00 -1.593844062e+00 3.12 -1.540527432e+00 -1.540527432e+00 3.14 -1.488641688e+00 -1.488641688e+00 3.16 -1.438188539e+00 -1.438188539e+00 3.18 -1.389166840e+00 -1.389166840e+00 3.20 -1.341618328e+00 -1.341618328e+00 3.22 -1.295572463e+00 -1.295572463e+00 3.24 -1.251047944e+00 -1.251047944e+00 3.26 -1.208074932e+00 -1.208074932e+00 3.28 -1.166725665e+00 -1.166725665e+00 3.30 -1.126873544e+00 -1.126873544e+00 3.32 -1.088500141e+00 -1.088500141e+00 3.34 -1.051579177e+00 -1.051579177e+00 3.36 -1.016077474e+00 -1.016077474e+00 3.38 -9.819559337e-01 -9.819559337e-01 3.40 -9.491704974e-01 -9.491704974e-01 3.42 -9.176730964e-01 -9.176730964e-01 3.44 -8.874125531e-01 -8.874125531e-01 3.46 -8.583354322e-01 -8.583354322e-01 3.48 -8.303868251e-01 -8.303868251e-01 3.50 -8.035110626e-01 -8.035110626e-01 3.52 -7.776522186e-01 -7.776522186e-01 3.54 -7.527548257e-01 -7.527548257e-01 3.56 -7.287647286e-01 -7.287647286e-01 3.58 -7.056287731e-01 -7.056287731e-01 3.60 -6.832954453e-01 -6.832954453e-01 3.62 -6.617151073e-01 -6.617151073e-01 3.64 -6.408391722e-01 -6.408391722e-01 3.66 -6.206237221e-01 -6.206237221e-01 3.68 -6.010303905e-01 -6.010303905e-01 3.70 -5.822662753e-01 -5.822662753e-01 3.72 -5.640691598e-01 -5.640691598e-01 3.74 -5.463350172e-01 -5.463350172e-01 3.76 -5.290176788e-01 -5.290176788e-01 3.78 -5.120959215e-01 -5.120959215e-01 3.80 -4.955495575e-01 -4.955495575e-01 3.82 -4.793595507e-01 -4.793595507e-01 3.84 -4.635081166e-01 -4.635081166e-01 3.86 -4.479788076e-01 -4.479788076e-01 3.88 -4.327565819e-01 -4.327565819e-01 3.90 -4.178278565e-01 -4.178278565e-01 3.92 -4.031805447e-01 -4.031805447e-01 3.94 -3.888040782e-01 -3.888040782e-01 3.96 -3.747007323e-01 -3.747007323e-01 3.98 -3.608981063e-01 -3.608981063e-01 4.00 -3.473321723e-01 -3.473321723e-01 4.02 -3.340001612e-01 -3.340001612e-01 4.04 -3.209004593e-01 -3.209004593e-01 4.06 -3.080325679e-01 -3.080325679e-01 4.08 -2.953970496e-01 -2.953970496e-01 4.10 -2.829954602e-01 -2.829954602e-01 4.12 -2.708302698e-01 -2.708302698e-01 4.14 -2.589047722e-01 -2.589047722e-01 4.16 -2.472229842e-01 -2.472229842e-01 4.18 -2.357895380e-01 -2.357895380e-01 4.20 -2.246095659e-01 -2.246095659e-01 4.22 -2.136885811e-01 -2.136885811e-01 4.24 -2.030323547e-01 -2.030323547e-01 4.26 -1.926467923e-01 -1.926467923e-01 4.28 -1.825378105e-01 -1.825378105e-01 4.30 -1.727112159e-01 -1.727112159e-01 4.32 -1.631724951e-01 -1.631724951e-01 4.34 -1.539269443e-01 -1.539269443e-01 4.36 -1.449794183e-01 -1.449794183e-01 4.38 -1.363341923e-01 -1.363341923e-01 4.40 -1.279948996e-01 -1.279948996e-01 4.42 -1.199644747e-01 -1.199644747e-01 4.44 -1.122450892e-01 -1.122450892e-01 4.46 -1.048380991e-01 -1.048380991e-01 4.48 -9.774400543e-02 -9.774400543e-02 4.50 -9.096270683e-02 -9.096270683e-02 4.52 -8.473893178e-02 -8.473893178e-02 4.54 -7.879341718e-02 -7.879341718e-02 4.56 -7.312571579e-02 -7.312571579e-02 4.58 -6.773504952e-02 -6.773504952e-02 4.60 -6.261924965e-02 -6.261924965e-02 4.62 -5.777510374e-02 -5.777510374e-02 4.64 -5.319842366e-02 -5.319842366e-02 4.66 -4.888411672e-02 -4.888411672e-02 4.68 -4.482626203e-02 -4.482626203e-02 4.70 -4.101819097e-02 -4.101819097e-02 4.72 -3.745257050e-02 -3.745257050e-02 4.74 -3.412148829e-02 -3.412148829e-02 4.76 -3.101653830e-02 -3.101653830e-02 4.78 -2.812890600e-02 -2.812890600e-02 4.80 -2.544945206e-02 -2.544945206e-02 4.82 -2.296879360e-02 -2.296879360e-02 4.84 -2.067738235e-02 -2.067738235e-02 4.86 -1.856557873e-02 -1.856557873e-02 4.88 -1.662372152e-02 -1.662372152e-02 4.90 -1.484219250e-02 -1.484219250e-02 4.92 -1.321147560e-02 -1.321147560e-02 4.94 -1.172221055e-02 -1.172221055e-02 4.96 -1.036524052e-02 -1.036524052e-02 4.98 -9.131654023e-03 -9.131654023e-03 5.00 -8.012820848e-03 -8.012820848e-03 5.02 -7.000422295e-03 -7.000422295e-03 5.04 -6.086475806e-03 -6.086475806e-03 5.06 -5.263354281e-03 -5.263354281e-03 5.08 -4.523800352e-03 -4.523800352e-03 5.10 -3.860935970e-03 -3.860935970e-03 5.12 -3.268267665e-03 -3.268267665e-03 5.14 -2.739687875e-03 -2.739687875e-03 5.16 -2.269472756e-03 -2.269472756e-03 5.18 -1.852276871e-03 -1.852276871e-03 5.20 -1.483125176e-03 -1.483125176e-03 5.22 -1.234274692e-03 -1.234274692e-03 5.24 -1.030520957e-03 -1.030520957e-03 5.26 -8.492341492e-04 -8.492341492e-04 5.28 -6.883731142e-04 -6.883731142e-04 5.30 -5.460398731e-04 -5.460398731e-04 5.32 -4.204744189e-04 -4.204744189e-04 5.34 -3.100491105e-04 -3.100491105e-04 5.36 -2.132627524e-04 -2.132627524e-04 5.38 -1.287344444e-04 -1.287344444e-04 5.40 -5.519727996e-05 -5.519727996e-05 5.42 -4.912723046e-07 -4.912723046e-07 5.44 -3.953645238e-07 -3.953645238e-07 5.46 -3.177085668e-07 -3.177085668e-07 5.48 -2.532061807e-07 -2.532061807e-07 5.50 -1.998914722e-07 -1.998914722e-07 5.52 -1.560595607e-07 -1.560595607e-07 5.54 -1.202360412e-07 -1.202360412e-07 5.56 -9.114950054e-08 -9.114950054e-08 5.58 -6.770684659e-08 -6.770684659e-08 5.60 -4.897122181e-08 -4.897122181e-08 5.62 -3.414228288e-08 -3.414228288e-08 5.64 -2.253863989e-08 -2.253863989e-08 5.66 -1.358226094e-08 -1.358226094e-08 5.68 -6.784659611e-09 -6.784659611e-09 5.70 -1.734695049e-09 -1.734695049e-09 5.72 1.912173621e-09 1.912173621e-09 5.74 3.090040670e-09 3.090040670e-09 5.76 2.444158105e-09 2.444158105e-09 5.78 1.918697086e-09 1.918697086e-09 5.80 1.493633390e-09 1.493633390e-09 5.82 1.151921553e-09 1.151921553e-09 5.84 8.790979638e-10 8.790979638e-10 5.86 6.629308892e-10 6.629308892e-10 5.88 4.931126403e-10 4.931126403e-10 5.90 3.609894924e-10 3.609894924e-10 5.92 2.593253315e-10 2.593253315e-10 5.94 1.820953546e-10 1.820953546e-10 5.96 1.243064813e-10 1.243064813e-10 5.98 8.184144554e-11 8.184144554e-11 6.00 5.132382110e-11 5.132382110e-11