# 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 = FIdNa2 # 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 5.050992025e+03 5.050992025e+03 1.32 4.349311664e+03 4.349311664e+03 1.34 3.753832712e+03 3.753832712e+03 1.36 3.247039655e+03 3.247039655e+03 1.38 2.814740331e+03 2.814740331e+03 1.40 2.445061843e+03 2.445061843e+03 1.42 2.128193001e+03 2.128193001e+03 1.44 1.856013134e+03 1.856013134e+03 1.46 1.621692209e+03 1.621692209e+03 1.48 1.419589595e+03 1.419589595e+03 1.50 1.244853255e+03 1.244853255e+03 1.52 1.093459130e+03 1.093459130e+03 1.54 9.620916736e+02 9.620916736e+02 1.56 8.478426045e+02 8.478426045e+02 1.58 7.483018152e+02 7.483018152e+02 1.60 6.614345946e+02 6.614345946e+02 1.62 5.854741785e+02 5.854741785e+02 1.64 5.189356233e+02 5.189356233e+02 1.66 4.605518366e+02 4.605518366e+02 1.68 4.092682805e+02 4.092682805e+02 1.70 3.641196159e+02 3.641196159e+02 1.72 3.243159539e+02 3.243159539e+02 1.74 2.891739001e+02 2.891739001e+02 1.76 2.581075974e+02 2.581075974e+02 1.78 2.306004012e+02 2.306004012e+02 1.80 2.062077940e+02 2.062077940e+02 1.82 1.845483487e+02 1.845483487e+02 1.84 1.652887683e+02 1.652887683e+02 1.86 1.481457193e+02 1.481457193e+02 1.88 1.328673579e+02 1.328673579e+02 1.90 1.192353732e+02 1.192353732e+02 1.92 1.070576807e+02 1.070576807e+02 1.94 9.616686517e+01 9.616686517e+01 1.96 8.641694275e+01 8.641694275e+01 1.98 7.768529854e+01 7.768529854e+01 2.00 6.985666067e+01 6.985666067e+01 2.02 6.282806892e+01 6.282806892e+01 2.04 5.651277935e+01 5.651277935e+01 2.06 5.083350098e+01 5.083350098e+01 2.08 4.572157527e+01 4.572157527e+01 2.10 4.111545243e+01 4.111545243e+01 2.12 3.696300859e+01 3.696300859e+01 2.14 3.321773739e+01 3.321773739e+01 2.16 2.983524706e+01 2.983524706e+01 2.18 2.677757497e+01 2.677757497e+01 2.20 2.401124229e+01 2.401124229e+01 2.22 2.150589032e+01 2.150589032e+01 2.24 1.923428261e+01 1.923428261e+01 2.26 1.717352092e+01 1.717352092e+01 2.28 1.530288471e+01 1.530288471e+01 2.30 1.360302448e+01 1.360302448e+01 2.32 1.205816985e+01 1.205816985e+01 2.34 1.065317696e+01 1.065317696e+01 2.36 9.374021733e+00 9.374021733e+00 2.38 8.209099997e+00 8.209099997e+00 2.40 7.148492155e+00 7.148492155e+00 2.42 6.182769826e+00 6.182769826e+00 2.44 5.303497120e+00 5.303497120e+00 2.46 4.503105386e+00 4.503105386e+00 2.48 3.774751323e+00 3.774751323e+00 2.50 3.112081137e+00 3.112081137e+00 2.52 2.509490857e+00 2.509490857e+00 2.54 1.962297520e+00 1.962297520e+00 2.56 1.465971981e+00 1.465971981e+00 2.58 1.016468112e+00 1.016468112e+00 2.60 6.087187298e-01 6.087187298e-01 2.62 2.400274866e-01 2.400274866e-01 2.64 -9.251555331e-02 -9.251555331e-02 2.66 -3.920237189e-01 -3.920237189e-01 2.68 -6.612136990e-01 -6.612136990e-01 2.70 -9.026517685e-01 -9.026517685e-01 2.72 -1.118689716e+00 -1.118689716e+00 2.74 -1.311484005e+00 -1.311484005e+00 2.76 -1.483012744e+00 -1.483012744e+00 2.78 -1.635090795e+00 -1.635090795e+00 2.80 -1.769393991e+00 -1.769393991e+00 2.82 -1.887507061e+00 -1.887507061e+00 2.84 -1.990742046e+00 -1.990742046e+00 2.86 -2.080388863e+00 -2.080388863e+00 2.88 -2.157581305e+00 -2.157581305e+00 2.90 -2.223445528e+00 -2.223445528e+00 2.92 -2.278994476e+00 -2.278994476e+00 2.94 -2.325908395e+00 -2.325908395e+00 2.96 -2.364185847e+00 -2.364185847e+00 2.98 -2.394505689e+00 -2.394505689e+00 3.00 -2.417608507e+00 -2.417608507e+00 3.02 -2.434163927e+00 -2.434163927e+00 3.04 -2.444745392e+00 -2.444745392e+00 3.06 -2.449909982e+00 -2.449909982e+00 3.08 -2.450168719e+00 -2.450168719e+00 3.10 -2.445989710e+00 -2.445989710e+00 3.12 -2.437801910e+00 -2.437801910e+00 3.14 -2.425998351e+00 -2.425998351e+00 3.16 -2.410938976e+00 -2.410938976e+00 3.18 -2.392988630e+00 -2.392988630e+00 3.20 -2.372446180e+00 -2.372446180e+00 3.22 -2.349530926e+00 -2.349530926e+00 3.24 -2.324547306e+00 -2.324547306e+00 3.26 -2.297734278e+00 -2.297734278e+00 3.28 -2.269308085e+00 -2.269308085e+00 3.30 -2.239367056e+00 -2.239367056e+00 3.32 -2.208087718e+00 -2.208087718e+00 3.34 -2.175697102e+00 -2.175697102e+00 3.36 -2.142375987e+00 -2.142375987e+00 3.38 -2.108102337e+00 -2.108102337e+00 3.40 -2.073001617e+00 -2.073001617e+00 3.42 -2.037186272e+00 -2.037186272e+00 3.44 -2.000757354e+00 -2.000757354e+00 3.46 -1.963806328e+00 -1.963806328e+00 3.48 -1.926452194e+00 -1.926452194e+00 3.50 -1.888746996e+00 -1.888746996e+00 3.52 -1.850738862e+00 -1.850738862e+00 3.54 -1.812494948e+00 -1.812494948e+00 3.56 -1.774077394e+00 -1.774077394e+00 3.58 -1.735544553e+00 -1.735544553e+00 3.60 -1.696952230e+00 -1.696952230e+00 3.62 -1.658354164e+00 -1.658354164e+00 3.64 -1.619802392e+00 -1.619802392e+00 3.66 -1.581347475e+00 -1.581347475e+00 3.68 -1.543040590e+00 -1.543040590e+00 3.70 -1.505054241e+00 -1.505054241e+00 3.72 -1.467280341e+00 -1.467280341e+00 3.74 -1.429768930e+00 -1.429768930e+00 3.76 -1.392567663e+00 -1.392567663e+00 3.78 -1.355720849e+00 -1.355720849e+00 3.80 -1.319268889e+00 -1.319268889e+00 3.82 -1.283251553e+00 -1.283251553e+00 3.84 -1.247704109e+00 -1.247704109e+00 3.86 -1.212658416e+00 -1.212658416e+00 3.88 -1.178142786e+00 -1.178142786e+00 3.90 -1.144181875e+00 -1.144181875e+00 3.92 -1.110796622e+00 -1.110796622e+00 3.94 -1.078004233e+00 -1.078004233e+00 3.96 -1.045840869e+00 -1.045840869e+00 3.98 -1.014386723e+00 -1.014386723e+00 4.00 -9.835323123e-01 -9.835323123e-01 4.02 -9.532845297e-01 -9.532845297e-01 4.04 -9.236467835e-01 -9.236467835e-01 4.06 -8.946193247e-01 -8.946193247e-01 4.08 -8.661996009e-01 -8.661996009e-01 4.10 -8.383826255e-01 -8.383826255e-01 4.12 -8.111613540e-01 -8.111613540e-01 4.14 -7.845270602e-01 -7.845270602e-01 4.16 -7.584697029e-01 -7.584697029e-01 4.18 -7.329782775e-01 -7.329782775e-01 4.20 -7.080411462e-01 -7.080411462e-01 4.22 -6.836463408e-01 -6.836463408e-01 4.24 -6.597818363e-01 -6.597818363e-01 4.26 -6.364357911e-01 -6.364357911e-01 4.28 -6.135967534e-01 -6.135967534e-01 4.30 -5.912538327e-01 -5.912538327e-01 4.32 -5.693967435e-01 -5.693967435e-01 4.34 -5.480161903e-01 -5.480161903e-01 4.36 -5.271036783e-01 -5.271036783e-01 4.38 -5.066516146e-01 -5.066516146e-01 4.40 -4.866533472e-01 -4.866533472e-01 4.42 -4.671031617e-01 -4.671031617e-01 4.44 -4.479962579e-01 -4.479962579e-01 4.46 -4.293287097e-01 -4.293287097e-01 4.48 -4.110974105e-01 -4.110974105e-01 4.50 -3.933874807e-01 -3.933874807e-01 4.52 -3.763161026e-01 -3.763161026e-01 4.54 -3.596302539e-01 -3.596302539e-01 4.56 -3.433341846e-01 -3.433341846e-01 4.58 -3.274399347e-01 -3.274399347e-01 4.60 -3.119459815e-01 -3.119459815e-01 4.62 -2.968568531e-01 -2.968568531e-01 4.64 -2.821768730e-01 -2.821768730e-01 4.66 -2.679099387e-01 -2.679099387e-01 4.68 -2.540594962e-01 -2.540594962e-01 4.70 -2.406285113e-01 -2.406285113e-01 4.72 -2.276194397e-01 -2.276194397e-01 4.74 -2.150341956e-01 -2.150341956e-01 4.76 -2.028741195e-01 -2.028741195e-01 4.78 -1.911399475e-01 -1.911399475e-01 4.80 -1.798317805e-01 -1.798317805e-01 4.82 -1.689490566e-01 -1.689490566e-01 4.84 -1.584905254e-01 -1.584905254e-01 4.86 -1.484542266e-01 -1.484542266e-01 4.88 -1.388374724e-01 -1.388374724e-01 4.90 -1.296368349e-01 -1.296368349e-01 4.92 -1.208481385e-01 -1.208481385e-01 4.94 -1.124664590e-01 -1.124664590e-01 4.96 -1.044860030e-01 -1.044860030e-01 4.98 -9.689995825e-02 -9.689995825e-02 5.00 -8.970181990e-02 -8.970181990e-02 5.02 -8.288377117e-02 -8.288377117e-02 5.04 -7.643733324e-02 -7.643733324e-02 5.06 -7.035340102e-02 -7.035340102e-02 5.08 -6.462228441e-02 -6.462228441e-02 5.10 -5.923375461e-02 -5.923375461e-02 5.12 -5.417709491e-02 -5.417709491e-02 5.14 -4.944115541e-02 -4.944115541e-02 5.16 -4.501441077e-02 -4.501441077e-02 5.18 -4.088502054e-02 -4.088502054e-02 5.20 -3.704089109e-02 -3.704089109e-02 5.22 -3.346973845e-02 -3.346973845e-02 5.24 -3.015915132e-02 -3.015915132e-02 5.26 -2.709665348e-02 -2.709665348e-02 5.28 -2.426976489e-02 -2.426976489e-02 5.30 -2.166606077e-02 -2.166606077e-02 5.32 -1.927322822e-02 -1.927322822e-02 5.34 -1.707911955e-02 -1.707911955e-02 5.36 -1.507180216e-02 -1.507180216e-02 5.38 -1.323960431e-02 -1.323960431e-02 5.40 -1.157115668e-02 -1.157115668e-02 5.42 -1.005542927e-02 -1.005542927e-02 5.44 -8.681763728e-03 -8.681763728e-03 5.46 -7.439900748e-03 -7.439900748e-03 5.48 -6.320002807e-03 -6.320002807e-03 5.50 -5.312672108e-03 -5.312672108e-03 5.52 -4.408963947e-03 -4.408963947e-03 5.54 -3.600395671e-03 -3.600395671e-03 5.56 -2.878951445e-03 -2.878951445e-03 5.58 -2.237083119e-03 -2.237083119e-03 5.60 -1.711775575e-03 -1.711775575e-03 5.62 -1.406088305e-03 -1.406088305e-03 5.64 -1.136665691e-03 -1.136665691e-03 5.66 -8.999835209e-04 -8.999835209e-04 5.68 -6.927954309e-04 -6.927954309e-04 5.70 -5.120922812e-04 -5.120922812e-04 5.72 -3.550962793e-04 -3.550962793e-04 5.74 -2.192689998e-04 -2.192689998e-04 5.76 -1.022692012e-04 -1.022692012e-04 5.78 -3.064521489e-05 -3.064521489e-05 5.80 -2.824799885e-05 -2.824799885e-05 5.82 -2.601145982e-05 -2.601145982e-05 5.84 -2.392670173e-05 -2.392670173e-05 5.86 -2.198518800e-05 -2.198518800e-05 5.88 -2.017873675e-05 -2.017873675e-05 5.90 -1.849951524e-05 -1.849951524e-05 5.92 -1.694003362e-05 -1.694003362e-05 5.94 -1.549313807e-05 -1.549313807e-05 5.96 -1.415200335e-05 -1.415200335e-05 5.98 -1.291012495e-05 -1.291012495e-05 6.00 -1.176131082e-05 -1.176131082e-05