# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = FeMgPd2 # 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 2024-04-11 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 3.103786928e+02 3.103786928e+02 1.30 2.864382906e+02 2.864382906e+02 1.32 2.643368095e+02 2.643368095e+02 1.34 2.439264619e+02 2.439264619e+02 1.36 2.250720248e+02 2.250720248e+02 1.38 2.076483444e+02 2.076483444e+02 1.40 1.915391117e+02 1.915391117e+02 1.42 1.766367889e+02 1.766367889e+02 1.44 1.628433289e+02 1.628433289e+02 1.46 1.500706740e+02 1.500706740e+02 1.48 1.382400420e+02 1.382400420e+02 1.50 1.272801819e+02 1.272801819e+02 1.52 1.171255359e+02 1.171255359e+02 1.54 1.077149316e+02 1.077149316e+02 1.56 9.899088040e+01 9.899088040e+01 1.58 9.089931687e+01 9.089931687e+01 1.60 8.338972119e+01 8.338972119e+01 1.62 7.641555612e+01 7.641555612e+01 1.64 6.994659313e+01 6.994659313e+01 1.66 6.397456694e+01 6.397456694e+01 1.68 5.846404005e+01 5.846404005e+01 1.70 5.338167781e+01 5.338167781e+01 1.72 4.869687014e+01 4.869687014e+01 1.74 4.438090778e+01 4.438090778e+01 1.76 4.040655594e+01 4.040655594e+01 1.78 3.674799262e+01 3.674799262e+01 1.80 3.338093059e+01 3.338093059e+01 1.82 3.028273009e+01 3.028273009e+01 1.84 2.743239636e+01 2.743239636e+01 1.86 2.481045324e+01 2.481045324e+01 1.88 2.239876090e+01 2.239876090e+01 1.90 2.018038725e+01 2.018038725e+01 1.92 1.813959615e+01 1.813959615e+01 1.94 1.626191355e+01 1.626191355e+01 1.96 1.453417477e+01 1.453417477e+01 1.98 1.294447561e+01 1.294447561e+01 2.00 1.148203451e+01 1.148203451e+01 2.02 1.013702457e+01 1.013702457e+01 2.04 8.900431769e+00 8.900431769e+00 2.06 7.763958649e+00 7.763958649e+00 2.08 6.719963420e+00 6.719963420e+00 2.10 5.761417447e+00 5.761417447e+00 2.12 4.881865964e+00 4.881865964e+00 2.14 4.075387217e+00 4.075387217e+00 2.16 3.336548761e+00 3.336548761e+00 2.18 2.660361910e+00 2.660361910e+00 2.20 2.042238905e+00 2.042238905e+00 2.22 1.477953476e+00 1.477953476e+00 2.24 9.636084302e-01 9.636084302e-01 2.26 4.956088376e-01 4.956088376e-01 2.28 7.063689288e-02 7.063689288e-02 2.30 -3.143729961e-01 -3.143729961e-01 2.32 -6.622657601e-01 -6.622657601e-01 2.34 -9.756983134e-01 -9.756983134e-01 2.36 -1.257174380e+00 -1.257174380e+00 2.38 -1.509074495e+00 -1.509074495e+00 2.40 -1.733678892e+00 -1.733678892e+00 2.42 -1.933182374e+00 -1.933182374e+00 2.44 -2.109700703e+00 -2.109700703e+00 2.46 -2.265270572e+00 -2.265270572e+00 2.48 -2.401840785e+00 -2.401840785e+00 2.50 -2.521253495e+00 -2.521253495e+00 2.52 -2.625742516e+00 -2.625742516e+00 2.54 -2.717097840e+00 -2.717097840e+00 2.56 -2.796245380e+00 -2.796245380e+00 2.58 -2.864022629e+00 -2.864022629e+00 2.60 -2.921167688e+00 -2.921167688e+00 2.62 -2.968330262e+00 -2.968330262e+00 2.64 -3.006097113e+00 -3.006097113e+00 2.66 -3.035013613e+00 -3.035013613e+00 2.68 -3.055667024e+00 -3.055667024e+00 2.70 -3.068664639e+00 -3.068664639e+00 2.72 -3.074567948e+00 -3.074567948e+00 2.74 -3.073886840e+00 -3.073886840e+00 2.76 -3.067015590e+00 -3.067015590e+00 2.78 -3.054303479e+00 -3.054303479e+00 2.80 -3.036105590e+00 -3.036105590e+00 2.82 -3.012787049e+00 -3.012787049e+00 2.84 -2.984729575e+00 -2.984729575e+00 2.86 -2.952336724e+00 -2.952336724e+00 2.88 -2.916036473e+00 -2.916036473e+00 2.90 -2.876278761e+00 -2.876278761e+00 2.92 -2.833526615e+00 -2.833526615e+00 2.94 -2.788241155e+00 -2.788241155e+00 2.96 -2.740862769e+00 -2.740862769e+00 2.98 -2.691792373e+00 -2.691792373e+00 3.00 -2.641376961e+00 -2.641376961e+00 3.02 -2.589902423e+00 -2.589902423e+00 3.04 -2.537594303e+00 -2.537594303e+00 3.06 -2.484628408e+00 -2.484628408e+00 3.08 -2.431155737e+00 -2.431155737e+00 3.10 -2.377267319e+00 -2.377267319e+00 3.12 -2.323036424e+00 -2.323036424e+00 3.14 -2.268538445e+00 -2.268538445e+00 3.16 -2.213856393e+00 -2.213856393e+00 3.18 -2.159086647e+00 -2.159086647e+00 3.20 -2.104341168e+00 -2.104341168e+00 3.22 -2.049747846e+00 -2.049747846e+00 3.24 -1.995439997e+00 -1.995439997e+00 3.26 -1.941543466e+00 -1.941543466e+00 3.28 -1.888194660e+00 -1.888194660e+00 3.30 -1.835536485e+00 -1.835536485e+00 3.32 -1.783710382e+00 -1.783710382e+00 3.34 -1.732848532e+00 -1.732848532e+00 3.36 -1.683067050e+00 -1.683067050e+00 3.38 -1.634460857e+00 -1.634460857e+00 3.40 -1.587100670e+00 -1.587100670e+00 3.42 -1.541032418e+00 -1.541032418e+00 3.44 -1.496278178e+00 -1.496278178e+00 3.46 -1.452839022e+00 -1.452839022e+00 3.48 -1.410698498e+00 -1.410698498e+00 3.50 -1.369826478e+00 -1.369826478e+00 3.52 -1.330182905e+00 -1.330182905e+00 3.54 -1.291721149e+00 -1.291721149e+00 3.56 -1.254390811e+00 -1.254390811e+00 3.58 -1.218139925e+00 -1.218139925e+00 3.60 -1.182916592e+00 -1.182916592e+00 3.62 -1.148670090e+00 -1.148670090e+00 3.64 -1.115351592e+00 -1.115351592e+00 3.66 -1.082914552e+00 -1.082914552e+00 3.68 -1.051314881e+00 -1.051314881e+00 3.70 -1.020510991e+00 -1.020510991e+00 3.72 -9.904637604e-01 -9.904637604e-01 3.74 -9.611364861e-01 -9.611364861e-01 3.76 -9.324948417e-01 -9.324948417e-01 3.78 -9.045068553e-01 -9.045068553e-01 3.80 -8.771429026e-01 -8.771429026e-01 3.82 -8.503757033e-01 -8.503757033e-01 3.84 -8.241803057e-01 -8.241803057e-01 3.86 -7.985340527e-01 -7.985340527e-01 3.88 -7.734165417e-01 -7.734165417e-01 3.90 -7.488096090e-01 -7.488096090e-01 3.92 -7.246972741e-01 -7.246972741e-01 3.94 -7.010663934e-01 -7.010663934e-01 3.96 -6.779062397e-01 -6.779062397e-01 3.98 -6.552095130e-01 -6.552095130e-01 4.00 -6.329727679e-01 -6.329727679e-01 4.02 -6.111969719e-01 -6.111969719e-01 4.04 -5.898879143e-01 -5.898879143e-01 4.06 -5.690563173e-01 -5.690563173e-01 4.08 -5.487175171e-01 -5.487175171e-01 4.10 -5.288903666e-01 -5.288903666e-01 4.12 -5.095969989e-01 -5.095969989e-01 4.14 -4.908592702e-01 -4.908592702e-01 4.16 -4.726979480e-01 -4.726979480e-01 4.18 -4.551302792e-01 -4.551302792e-01 4.20 -4.381681069e-01 -4.381681069e-01 4.22 -4.218164279e-01 -4.218164279e-01 4.24 -4.060725391e-01 -4.060725391e-01 4.26 -3.909258296e-01 -3.909258296e-01 4.28 -3.763581713e-01 -3.763581713e-01 4.30 -3.623447883e-01 -3.623447883e-01 4.32 -3.488554406e-01 -3.488554406e-01 4.34 -3.358557559e-01 -3.358557559e-01 4.36 -3.233085622e-01 -3.233085622e-01 4.38 -3.111751197e-01 -3.111751197e-01 4.40 -2.994161924e-01 -2.994161924e-01 4.42 -2.879929411e-01 -2.879929411e-01 4.44 -2.768676538e-01 -2.768676538e-01 4.46 -2.660043454e-01 -2.660043454e-01 4.48 -2.553692713e-01 -2.553692713e-01 4.50 -2.449314001e-01 -2.449314001e-01 4.52 -2.346628841e-01 -2.346628841e-01 4.54 -2.245395552e-01 -2.245395552e-01 4.56 -2.145414620e-01 -2.145414620e-01 4.58 -2.046534427e-01 -2.046534427e-01 4.60 -1.948657124e-01 -1.948657124e-01 4.62 -1.851744204e-01 -1.851744204e-01 4.64 -1.755821174e-01 -1.755821174e-01 4.66 -1.660980547e-01 -1.660980547e-01 4.68 -1.567382340e-01 -1.567382340e-01 4.70 -1.475251284e-01 -1.475251284e-01 4.72 -1.384870171e-01 -1.384870171e-01 4.74 -1.296569061e-01 -1.296569061e-01 4.76 -1.210710599e-01 -1.210710599e-01 4.78 -1.127672170e-01 -1.127672170e-01 4.80 -1.047824162e-01 -1.047824162e-01 4.82 -9.715181810e-02 -9.715181810e-02 4.84 -8.990554762e-02 -8.990554762e-02 4.86 -8.306805648e-02 -8.306805648e-02 4.88 -7.665677501e-02 -7.665677501e-02 4.90 -7.068151602e-02 -7.068151602e-02 4.92 -6.514440056e-02 -6.514440056e-02 4.94 -6.004026407e-02 -6.004026407e-02 4.96 -5.535742077e-02 -5.535742077e-02 4.98 -5.107871576e-02 -5.107871576e-02 5.00 -4.718272073e-02 -4.718272073e-02 5.02 -4.364494809e-02 -4.364494809e-02 5.04 -4.043838168e-02 -4.043838168e-02 5.06 -3.753553406e-02 -3.753553406e-02 5.08 -3.490983094e-02 -3.490983094e-02 5.10 -3.253502536e-02 -3.253502536e-02 5.12 -3.038584852e-02 -3.038584852e-02 5.14 -2.843839038e-02 -2.843839038e-02 5.16 -2.667039595e-02 -2.667039595e-02 5.18 -2.506171349e-02 -2.506171349e-02 5.20 -2.359407070e-02 -2.359407070e-02 5.22 -2.225105120e-02 -2.225105120e-02 5.24 -2.101803216e-02 -2.101803216e-02 5.26 -1.988208670e-02 -1.988208670e-02 5.28 -1.883186614e-02 -1.883186614e-02 5.30 -1.785747295e-02 -1.785747295e-02 5.32 -1.695033140e-02 -1.695033140e-02 5.34 -1.610306010e-02 -1.610306010e-02 5.36 -1.530933460e-02 -1.530933460e-02 5.38 -1.456379342e-02 -1.456379342e-02 5.40 -1.386192466e-02 -1.386192466e-02 5.42 -1.319994662e-02 -1.319994662e-02 5.44 -1.257470209e-02 -1.257470209e-02 5.46 -1.198355648e-02 -1.198355648e-02 5.48 -1.142430021e-02 -1.142430021e-02 5.50 -1.089505700e-02 -1.089505700e-02 5.52 -1.039419996e-02 -1.039419996e-02 5.54 -9.920277522e-03 -9.920277522e-03 5.56 -9.471951430e-03 -9.471951430e-03 5.58 -9.047947758e-03 -9.047947758e-03 5.60 -8.647021626e-03 -8.647021626e-03 5.62 -8.267934900e-03 -8.267934900e-03 5.64 -7.909445375e-03 -7.909445375e-03 5.66 -7.570305274e-03 -7.570305274e-03 5.68 -7.249266515e-03 -7.249266515e-03 5.70 -6.945090193e-03 -6.945090193e-03 5.72 -6.656558031e-03 -6.656558031e-03 5.74 -6.382483940e-03 -6.382483940e-03 5.76 -6.121724399e-03 -6.121724399e-03 5.78 -5.873186881e-03 -5.873186881e-03 5.80 -5.635835967e-03 -5.635835967e-03 5.82 -5.408697168e-03 -5.408697168e-03 5.84 -5.190858691e-03 -5.190858691e-03 5.86 -4.981471541e-03 -4.981471541e-03 5.88 -4.779748394e-03 -4.779748394e-03 5.90 -4.584961697e-03 -4.584961697e-03 5.92 -4.396441411e-03 -4.396441411e-03 5.94 -4.213572756e-03 -4.213572756e-03 5.96 -4.035794266e-03 -4.035794266e-03 5.98 -3.862596373e-03 -3.862596373e-03 6.00 -3.693520690e-03 -3.693520690e-03