# 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 = FKLi2 # 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 2024-11-27 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 2.158039718e+03 2.158039718e+03 1.22 1.774631811e+03 1.774631811e+03 1.24 1.466301387e+03 1.466301387e+03 1.26 1.217296330e+03 1.217296330e+03 1.28 1.015440775e+03 1.015440775e+03 1.30 8.511424057e+02 8.511424057e+02 1.32 7.168339523e+02 7.168339523e+02 1.34 6.064713500e+02 6.064713500e+02 1.36 5.155187323e+02 5.155187323e+02 1.38 4.400987688e+02 4.400987688e+02 1.40 3.774495930e+02 3.774495930e+02 1.42 3.251953664e+02 3.251953664e+02 1.44 2.813915218e+02 2.813915218e+02 1.46 2.445031779e+02 2.445031779e+02 1.48 2.133645621e+02 2.133645621e+02 1.50 1.869796009e+02 1.869796009e+02 1.52 1.644989439e+02 1.644989439e+02 1.54 1.452567394e+02 1.452567394e+02 1.56 1.287678348e+02 1.287678348e+02 1.58 1.145807585e+02 1.145807585e+02 1.60 1.022971372e+02 1.022971372e+02 1.62 9.162946719e+01 9.162946719e+01 1.64 8.234935262e+01 8.234935262e+01 1.66 7.424454902e+01 7.424454902e+01 1.68 6.713843371e+01 6.713843371e+01 1.70 6.088501605e+01 6.088501605e+01 1.72 5.536087864e+01 5.536087864e+01 1.74 5.045359391e+01 5.045359391e+01 1.76 4.607807125e+01 4.607807125e+01 1.78 4.217263374e+01 4.217263374e+01 1.80 3.867462509e+01 3.867462509e+01 1.82 3.552592583e+01 3.552592583e+01 1.84 3.268339805e+01 3.268339805e+01 1.86 3.011385383e+01 3.011385383e+01 1.88 2.778426975e+01 2.778426975e+01 1.90 2.565725256e+01 2.565725256e+01 1.92 2.371884921e+01 2.371884921e+01 1.94 2.194657468e+01 2.194657468e+01 1.96 2.032298830e+01 2.032298830e+01 1.98 1.883194186e+01 1.883194186e+01 2.00 1.745936085e+01 1.745936085e+01 2.02 1.619303289e+01 1.619303289e+01 2.04 1.502237059e+01 1.502237059e+01 2.06 1.393814911e+01 1.393814911e+01 2.08 1.293186309e+01 1.293186309e+01 2.10 1.199182561e+01 1.199182561e+01 2.12 1.111813290e+01 1.111813290e+01 2.14 1.030456728e+01 1.030456728e+01 2.16 9.545537515e+00 9.545537515e+00 2.18 8.835687843e+00 8.835687843e+00 2.20 8.172654500e+00 8.172654500e+00 2.22 7.553636063e+00 7.553636063e+00 2.24 6.975355911e+00 6.975355911e+00 2.26 6.434805740e+00 6.434805740e+00 2.28 5.929318467e+00 5.929318467e+00 2.30 5.456519483e+00 5.456519483e+00 2.32 5.013999305e+00 5.013999305e+00 2.34 4.600077016e+00 4.600077016e+00 2.36 4.212209017e+00 4.212209017e+00 2.38 3.849755297e+00 3.849755297e+00 2.40 3.511520542e+00 3.511520542e+00 2.42 3.196078829e+00 3.196078829e+00 2.44 2.902107840e+00 2.902107840e+00 2.46 2.628373850e+00 2.628373850e+00 2.48 2.373721004e+00 2.373721004e+00 2.50 2.136998883e+00 2.136998883e+00 2.52 1.917149216e+00 1.917149216e+00 2.54 1.713315419e+00 1.713315419e+00 2.56 1.524540615e+00 1.524540615e+00 2.58 1.349910550e+00 1.349910550e+00 2.60 1.188550098e+00 1.188550098e+00 2.62 1.039149522e+00 1.039149522e+00 2.64 9.013245569e-01 9.013245569e-01 2.66 7.745138008e-01 7.745138008e-01 2.68 6.579420828e-01 6.579420828e-01 2.70 5.508739958e-01 5.508739958e-01 2.72 4.526122358e-01 4.526122358e-01 2.74 3.624967282e-01 3.624967282e-01 2.76 2.799035647e-01 2.799035647e-01 2.78 2.042406619e-01 2.042406619e-01 2.80 1.345942287e-01 1.345942287e-01 2.82 7.060181288e-02 7.060181288e-02 2.84 1.198428978e-02 1.198428978e-02 2.86 -4.193074540e-02 -4.193074540e-02 2.88 -9.126579759e-02 -9.126579759e-02 2.90 -1.364040987e-01 -1.364040987e-01 2.92 -1.777232700e-01 -1.777232700e-01 2.94 -2.155795763e-01 -2.155795763e-01 2.96 -2.502994029e-01 -2.502994029e-01 2.98 -2.821789616e-01 -2.821789616e-01 3.00 -3.114899816e-01 -3.114899816e-01 3.02 -3.384781870e-01 -3.384781870e-01 3.04 -3.635087431e-01 -3.635087431e-01 3.06 -3.866550198e-01 -3.866550198e-01 3.08 -4.080563493e-01 -4.080563493e-01 3.10 -4.278468247e-01 -4.278468247e-01 3.12 -4.461725738e-01 -4.461725738e-01 3.14 -4.631616506e-01 -4.631616506e-01 3.16 -4.789257336e-01 -4.789257336e-01 3.18 -4.935617699e-01 -4.935617699e-01 3.20 -5.071535529e-01 -5.071535529e-01 3.22 -5.197732257e-01 -5.197732257e-01 3.24 -5.314827017e-01 -5.314827017e-01 3.26 -5.423349957e-01 -5.423349957e-01 3.28 -5.523754624e-01 -5.523754624e-01 3.30 -5.616429370e-01 -5.616429370e-01 3.32 -5.701707777e-01 -5.701707777e-01 3.34 -5.779878080e-01 -5.779878080e-01 3.36 -5.851191606e-01 -5.851191606e-01 3.38 -5.915870221e-01 -5.915870221e-01 3.40 -5.974112845e-01 -5.974112845e-01 3.42 -6.026093122e-01 -6.026093122e-01 3.44 -6.075356725e-01 -6.075356725e-01 3.46 -6.118019099e-01 -6.118019099e-01 3.48 -6.154262502e-01 -6.154262502e-01 3.50 -6.184359933e-01 -6.184359933e-01 3.52 -6.208563620e-01 -6.208563620e-01 3.54 -6.227107975e-01 -6.227107975e-01 3.56 -6.240214570e-01 -6.240214570e-01 3.58 -6.248095478e-01 -6.248095478e-01 3.60 -6.250951951e-01 -6.250951951e-01 3.62 -6.249282613e-01 -6.249282613e-01 3.64 -6.242920353e-01 -6.242920353e-01 3.66 -6.232048112e-01 -6.232048112e-01 3.68 -6.216868461e-01 -6.216868461e-01 3.70 -6.198817925e-01 -6.198817925e-01 3.72 -6.178143135e-01 -6.178143135e-01 3.74 -6.153529144e-01 -6.153529144e-01 3.76 -6.124764901e-01 -6.124764901e-01 3.78 -6.092102746e-01 -6.092102746e-01 3.80 -6.055779222e-01 -6.055779222e-01 3.82 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