# 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 = CsId2Na # 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 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 5.054400429e+05 5.054400429e+05 1.42 4.234795374e+05 4.234795374e+05 1.44 3.556670668e+05 3.556670668e+05 1.46 2.994143609e+05 2.994143609e+05 1.48 2.526334011e+05 2.526334011e+05 1.50 2.136338387e+05 2.136338387e+05 1.52 1.810438764e+05 1.810438764e+05 1.54 1.537467780e+05 1.537467780e+05 1.56 1.308314239e+05 1.308314239e+05 1.58 1.115519783e+05 1.115519783e+05 1.60 9.529700066e+04 9.529700066e+04 1.62 8.156344376e+04 8.156344376e+04 1.64 6.993658834e+04 6.993658834e+04 1.66 6.007380778e+04 6.007380778e+04 1.68 5.169133751e+04 5.169133751e+04 1.70 4.455358789e+04 4.455358789e+04 1.72 3.846461697e+04 3.846461697e+04 1.74 3.326097672e+04 3.326097672e+04 1.76 2.880618142e+04 2.880618142e+04 1.78 2.498598607e+04 2.498598607e+04 1.80 2.170455602e+04 2.170455602e+04 1.82 1.888127934e+04 1.888127934e+04 1.84 1.644839424e+04 1.644839424e+04 1.86 1.434867255e+04 1.434867255e+04 1.88 1.253374327e+04 1.253374327e+04 1.90 1.096264383e+04 1.096264383e+04 1.92 9.600674800e+03 9.600674800e+03 1.94 8.418327600e+03 8.418327600e+03 1.96 7.390503791e+03 7.390503791e+03 1.98 6.495781076e+03 6.495781076e+03 2.00 5.715916832e+03 5.715916832e+03 2.02 5.035298033e+03 5.035298033e+03 2.04 4.440548971e+03 4.440548971e+03 2.06 3.920196994e+03 3.920196994e+03 2.08 3.464374522e+03 3.464374522e+03 2.10 3.064618844e+03 3.064618844e+03 2.12 2.713636585e+03 2.713636585e+03 2.14 2.405125520e+03 2.405125520e+03 2.16 2.133652141e+03 2.133652141e+03 2.18 1.894515528e+03 1.894515528e+03 2.20 1.683637852e+03 1.683637852e+03 2.22 1.497489800e+03 1.497489800e+03 2.24 1.333007900e+03 1.333007900e+03 2.26 1.187527421e+03 1.187527421e+03 2.28 1.058729877e+03 1.058729877e+03 2.30 9.445945406e+02 9.445945406e+02 2.32 8.433590405e+02 8.433590405e+02 2.34 7.534783942e+02 7.534783942e+02 2.36 6.736094419e+02 6.736094419e+02 2.38 6.025809102e+02 6.025809102e+02 2.40 5.393609735e+02 5.393609735e+02 2.42 4.830447669e+02 4.830447669e+02 2.44 4.328360530e+02 4.328360530e+02 2.46 3.880392516e+02 3.880392516e+02 2.48 3.480400985e+02 3.480400985e+02 2.50 3.122984172e+02 3.122984172e+02 2.52 2.803338598e+02 2.803338598e+02 2.54 2.517290612e+02 2.517290612e+02 2.56 2.261146587e+02 2.261146587e+02 2.58 2.031624279e+02 2.031624279e+02 2.60 1.825821064e+02 1.825821064e+02 2.62 1.641171149e+02 1.641171149e+02 2.64 1.475401716e+02 1.475401716e+02 2.66 1.326494183e+02 1.326494183e+02 2.68 1.192660256e+02 1.192660256e+02 2.70 1.072309994e+02 1.072309994e+02 2.72 9.640284456e+01 9.640284456e+01 2.74 8.665482219e+01 8.665482219e+01 2.76 7.787522228e+01 7.787522228e+01 2.78 6.996504465e+01 6.996504465e+01 2.80 6.283523167e+01 6.283523167e+01 2.82 5.640628038e+01 5.640628038e+01 2.84 5.060713205e+01 5.060713205e+01 2.86 4.537393203e+01 4.537393203e+01 2.88 4.065081712e+01 4.065081712e+01 2.90 3.638643190e+01 3.638643190e+01 2.92 3.253549532e+01 3.253549532e+01 2.94 2.905648183e+01 2.905648183e+01 2.96 2.591367768e+01 2.591367768e+01 2.98 2.307429159e+01 2.307429159e+01 3.00 2.050876364e+01 2.050876364e+01 3.02 1.819052491e+01 1.819052491e+01 3.04 1.609439197e+01 1.609439197e+01 3.06 1.419991349e+01 1.419991349e+01 3.08 1.248821587e+01 1.248821587e+01 3.10 1.094181754e+01 1.094181754e+01 3.12 9.544961580e+00 9.544961580e+00 3.14 8.283462828e+00 8.283462828e+00 3.16 7.144534320e+00 7.144534320e+00 3.18 6.116455415e+00 6.116455415e+00 3.20 5.188764168e+00 5.188764168e+00 3.22 4.352206310e+00 4.352206310e+00 3.24 3.598257938e+00 3.598257938e+00 3.26 2.919219654e+00 2.919219654e+00 3.28 2.308137407e+00 2.308137407e+00 3.30 1.758731421e+00 1.758731421e+00 3.32 1.265324713e+00 1.265324713e+00 3.34 8.227720954e-01 8.227720954e-01 3.36 4.264276953e-01 4.264276953e-01 3.38 7.208640533e-02 7.208640533e-02 3.40 -2.440603166e-01 -2.440603166e-01 3.42 -5.254643617e-01 -5.254643617e-01 3.44 -7.752569863e-01 -7.752569863e-01 3.46 -9.967364493e-01 -9.967364493e-01 3.48 -1.192313068e+00 -1.192313068e+00 3.50 -1.363982308e+00 -1.363982308e+00 3.52 -1.513838398e+00 -1.513838398e+00 3.54 -1.643857526e+00 -1.643857526e+00 3.56 -1.755840361e+00 -1.755840361e+00 3.58 -1.851430919e+00 -1.851430919e+00 3.60 -1.932134114e+00 -1.932134114e+00 3.62 -1.999329136e+00 -1.999329136e+00 3.64 -2.054281284e+00 -2.054281284e+00 3.66 -2.098152436e+00 -2.098152436e+00 3.68 -2.132175944e+00 -2.132175944e+00 3.70 -2.157145825e+00 -2.157145825e+00 3.72 -2.173947760e+00 -2.173947760e+00 3.74 -2.183420327e+00 -2.183420327e+00 3.76 -2.186332435e+00 -2.186332435e+00 3.78 -2.183388914e+00 -2.183388914e+00 3.80 -2.175270821e+00 -2.175270821e+00 3.82 -2.162572554e+00 -2.162572554e+00 3.84 -2.145824720e+00 -2.145824720e+00 3.86 -2.125493334e+00 -2.125493334e+00 3.88 -2.102029217e+00 -2.102029217e+00 3.90 -2.075846056e+00 -2.075846056e+00 3.92 -2.047318838e+00 -2.047318838e+00 3.94 -2.016786534e+00 -2.016786534e+00 3.96 -1.984565977e+00 -1.984565977e+00 3.98 -1.950966801e+00 -1.950966801e+00 4.00 -1.916176869e+00 -1.916176869e+00 4.02 -1.880417467e+00 -1.880417467e+00 4.04 -1.843885445e+00 -1.843885445e+00 4.06 -1.806752503e+00 -1.806752503e+00 4.08 -1.769174866e+00 -1.769174866e+00 4.10 -1.731290050e+00 -1.731290050e+00 4.12 -1.693303857e+00 -1.693303857e+00 4.14 -1.655258942e+00 -1.655258942e+00 4.16 -1.617205976e+00 -1.617205976e+00 4.18 -1.579226897e+00 -1.579226897e+00 4.20 -1.541393305e+00 -1.541393305e+00 4.22 -1.503767748e+00 -1.503767748e+00 4.24 -1.466404872e+00 -1.466404872e+00 4.26 -1.429352457e+00 -1.429352457e+00 4.28 -1.392652324e+00 -1.392652324e+00 4.30 -1.356341130e+00 -1.356341130e+00 4.32 -1.320451051e+00 -1.320451051e+00 4.34 -1.285010363e+00 -1.285010363e+00 4.36 -1.250043927e+00 -1.250043927e+00 4.38 -1.215573596e+00 -1.215573596e+00 4.40 -1.181618543e+00 -1.181618543e+00 4.42 -1.148195524e+00 -1.148195524e+00 4.44 -1.115319092e+00 -1.115319092e+00 4.46 -1.083001760e+00 -1.083001760e+00 4.48 -1.051254135e+00 -1.051254135e+00 4.50 -1.020258428e+00 -1.020258428e+00 4.52 -9.898720135e-01 -9.898720135e-01 4.54 -9.600330857e-01 -9.600330857e-01 4.56 -9.307525826e-01 -9.307525826e-01 4.58 -9.020563429e-01 -9.020563429e-01 4.60 -8.739323096e-01 -8.739323096e-01 4.62 -8.463841572e-01 -8.463841572e-01 4.64 -8.194140310e-01 -8.194140310e-01 4.66 -7.930219338e-01 -7.930219338e-01 4.68 -7.672049119e-01 -7.672049119e-01 4.70 -7.419616612e-01 -7.419616612e-01 4.72 -7.172875790e-01 -7.172875790e-01 4.74 -6.931768194e-01 -6.931768194e-01 4.76 -6.696224600e-01 -6.696224600e-01 4.78 -6.466166665e-01 -6.466166665e-01 4.80 -6.241508517e-01 -6.241508517e-01 4.82 -6.022158306e-01 -6.022158306e-01 4.84 -5.808019698e-01 -5.808019698e-01 4.86 -5.598993300e-01 -5.598993300e-01 4.88 -5.394978014e-01 -5.394978014e-01 4.90 -5.195872306e-01 -5.195872306e-01 4.92 -5.001575385e-01 -5.001575385e-01 4.94 -4.811988284e-01 -4.811988284e-01 4.96 -4.627011279e-01 -4.627011279e-01 4.98 -4.446540245e-01 -4.446540245e-01 5.00 -4.270504521e-01 -4.270504521e-01 5.02 -4.098820760e-01 -4.098820760e-01 5.04 -3.931411135e-01 -3.931411135e-01 5.06 -3.768203698e-01 -3.768203698e-01 5.08 -3.609132614e-01 -3.609132614e-01 5.10 -3.454138265e-01 -3.454138265e-01 5.12 -3.303167241e-01 -3.303167241e-01 5.14 -3.156172199e-01 -3.156172199e-01 5.16 -3.013111626e-01 -3.013111626e-01 5.18 -2.873949485e-01 -2.873949485e-01 5.20 -2.738654775e-01 -2.738654775e-01 5.22 -2.607201007e-01 -2.607201007e-01 5.24 -2.479565602e-01 -2.479565602e-01 5.26 -2.355729234e-01 -2.355729234e-01 5.28 -2.235675124e-01 -2.235675124e-01 5.30 -2.119388302e-01 -2.119388302e-01 5.32 -2.006854845e-01 -2.006854845e-01 5.34 -1.898061111e-01 -1.898061111e-01 5.36 -1.792992981e-01 -1.792992981e-01 5.38 -1.691635116e-01 -1.691635116e-01 5.40 -1.593985633e-01 -1.593985633e-01 5.42 -1.500081091e-01 -1.500081091e-01 5.44 -1.409814413e-01 -1.409814413e-01 5.46 -1.323159998e-01 -1.323159998e-01 5.48 -1.240087894e-01 -1.240087894e-01 5.50 -1.160563785e-01 -1.160563785e-01 5.52 -1.084815762e-01 -1.084815762e-01 5.54 -1.012498425e-01 -1.012498425e-01 5.56 -9.435517724e-02 -9.435517724e-02 5.58 -8.779252944e-02 -8.779252944e-02 5.60 -8.158959206e-02 -8.158959206e-02 5.62 -7.582900378e-02 -7.582900378e-02 5.64 -7.036424112e-02 -7.036424112e-02 5.66 -6.518946378e-02 -6.518946378e-02 5.68 -6.029819617e-02 -6.029819617e-02 5.70 -5.568337405e-02 -5.568337405e-02 5.72 -5.133739584e-02 -5.133739584e-02 5.74 -4.725217776e-02 -4.725217776e-02 5.76 -4.341921163e-02 -4.341921163e-02 5.78 -3.982962468e-02 -3.982962468e-02 5.80 -3.647424052e-02 -3.647424052e-02 5.82 -3.334364047e-02 -3.334364047e-02 5.84 -3.042822442e-02 -3.042822442e-02 5.86 -2.771827060e-02 -2.771827060e-02 5.88 -2.520399356e-02 -2.520399356e-02 5.90 -2.287559972e-02 -2.287559972e-02 5.92 -2.072334014e-02 -2.072334014e-02 5.94 -1.873755977e-02 -1.873755977e-02 5.96 -1.690874313e-02 -1.690874313e-02 5.98 -1.522755596e-02 -1.522755596e-02 6.00 -1.368488263e-02 -1.368488263e-02