# 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 = FeMg2Pd # 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 3.295993769e+02 3.295993769e+02 1.30 3.040970913e+02 3.040970913e+02 1.32 2.805864376e+02 2.805864376e+02 1.34 2.589035834e+02 2.589035834e+02 1.36 2.388974397e+02 2.388974397e+02 1.38 2.204287559e+02 2.204287559e+02 1.40 2.033697595e+02 2.033697595e+02 1.42 1.876041495e+02 1.876041495e+02 1.44 1.730270967e+02 1.730270967e+02 1.46 1.595446261e+02 1.595446261e+02 1.48 1.470721993e+02 1.470721993e+02 1.50 1.355329847e+02 1.355329847e+02 1.52 1.248563833e+02 1.248563833e+02 1.54 1.149770050e+02 1.149770050e+02 1.56 1.058340657e+02 1.058340657e+02 1.58 9.737106142e+01 9.737106142e+01 1.60 8.954574295e+01 8.954574295e+01 1.62 8.232122776e+01 8.232122776e+01 1.64 7.565074787e+01 7.565074787e+01 1.66 6.949195384e+01 6.949195384e+01 1.68 6.380612670e+01 6.380612670e+01 1.70 5.855747577e+01 5.855747577e+01 1.72 5.371266299e+01 5.371266299e+01 1.74 4.924056581e+01 4.924056581e+01 1.76 4.511224470e+01 4.511224470e+01 1.78 4.130098105e+01 4.130098105e+01 1.80 3.778224046e+01 3.778224046e+01 1.82 3.453351363e+01 3.453351363e+01 1.84 3.153408382e+01 3.153408382e+01 1.86 2.876481997e+01 2.876481997e+01 1.88 2.620803456e+01 2.620803456e+01 1.90 2.384740643e+01 2.384740643e+01 1.92 2.166792982e+01 2.166792982e+01 1.94 1.965585020e+01 1.965585020e+01 1.96 1.779856908e+01 1.779856908e+01 1.98 1.608451953e+01 1.608451953e+01 2.00 1.450303296e+01 1.450303296e+01 2.02 1.304422326e+01 1.304422326e+01 2.04 1.169890723e+01 1.169890723e+01 2.06 1.045855921e+01 1.045855921e+01 2.08 9.315283568e+00 9.315283568e+00 2.10 8.261792004e+00 8.261792004e+00 2.12 7.291374347e+00 7.291374347e+00 2.14 6.397862087e+00 6.397862087e+00 2.16 5.575586406e+00 5.575586406e+00 2.18 4.819330668e+00 4.819330668e+00 2.20 4.124284311e+00 4.124284311e+00 2.22 3.485998621e+00 3.485998621e+00 2.24 2.900352584e+00 2.900352584e+00 2.26 2.363528317e+00 2.363528317e+00 2.28 1.871990696e+00 1.871990696e+00 2.30 1.422471760e+00 1.422471760e+00 2.32 1.011945382e+00 1.011945382e+00 2.34 6.376046149e-01 6.376046149e-01 2.36 2.968331508e-01 2.968331508e-01 2.38 -1.281864926e-02 -1.281864926e-02 2.40 -2.936541871e-01 -2.936541871e-01 2.42 -5.478477282e-01 -5.478477282e-01 2.44 -7.774564651e-01 -7.774564651e-01 2.46 -9.845669308e-01 -9.845669308e-01 2.48 -1.171325091e+00 -1.171325091e+00 2.50 -1.339266274e+00 -1.339266274e+00 2.52 -1.489824386e+00 -1.489824386e+00 2.54 -1.624336191e+00 -1.624336191e+00 2.56 -1.744028757e+00 -1.744028757e+00 2.58 -1.850014710e+00 -1.850014710e+00 2.60 -1.943296980e+00 -1.943296980e+00 2.62 -2.024817767e+00 -2.024817767e+00 2.64 -2.095469543e+00 -2.095469543e+00 2.66 -2.156063529e+00 -2.156063529e+00 2.68 -2.207311142e+00 -2.207311142e+00 2.70 -2.249781836e+00 -2.249781836e+00 2.72 -2.284011352e+00 -2.284011352e+00 2.74 -2.310525710e+00 -2.310525710e+00 2.76 -2.329843730e+00 -2.329843730e+00 2.78 -2.342479461e+00 -2.342479461e+00 2.80 -2.348945898e+00 -2.348945898e+00 2.82 -2.349755764e+00 -2.349755764e+00 2.84 -2.345424001e+00 -2.345424001e+00 2.86 -2.336466882e+00 -2.336466882e+00 2.88 -2.323398744e+00 -2.323398744e+00 2.90 -2.306725564e+00 -2.306725564e+00 2.92 -2.286935486e+00 -2.286935486e+00 2.94 -2.264487289e+00 -2.264487289e+00 2.96 -2.239798563e+00 -2.239798563e+00 2.98 -2.213235900e+00 -2.213235900e+00 3.00 -2.185109119e+00 -2.185109119e+00 3.02 -2.155670679e+00 -2.155670679e+00 3.04 -2.125119836e+00 -2.125119836e+00 3.06 -2.093628997e+00 -2.093628997e+00 3.08 -2.061346636e+00 -2.061346636e+00 3.10 -2.028316542e+00 -2.028316542e+00 3.12 -1.994571956e+00 -1.994571956e+00 3.14 -1.960149725e+00 -1.960149725e+00 3.16 -1.925092376e+00 -1.925092376e+00 3.18 -1.889453821e+00 -1.889453821e+00 3.20 -1.853285455e+00 -1.853285455e+00 3.22 -1.816558926e+00 -1.816558926e+00 3.24 -1.779245249e+00 -1.779245249e+00 3.26 -1.741359633e+00 -1.741359633e+00 3.28 -1.702957934e+00 -1.702957934e+00 3.30 -1.664131204e+00 -1.664131204e+00 3.32 -1.624998206e+00 -1.624998206e+00 3.34 -1.585696341e+00 -1.585696341e+00 3.36 -1.546371904e+00 -1.546371904e+00 3.38 -1.507170772e+00 -1.507170772e+00 3.40 -1.468230451e+00 -1.468230451e+00 3.42 -1.429674671e+00 -1.429674671e+00 3.44 -1.391609231e+00 -1.391609231e+00 3.46 -1.354120943e+00 -1.354120943e+00 3.48 -1.317277658e+00 -1.317277658e+00 3.50 -1.281129547e+00 -1.281129547e+00 3.52 -1.245711077e+00 -1.245711077e+00 3.54 -1.211043294e+00 -1.211043294e+00 3.56 -1.177136167e+00 -1.177136167e+00 3.58 -1.143990780e+00 -1.143990780e+00 3.60 -1.111601295e+00 -1.111601295e+00 3.62 -1.079956626e+00 -1.079956626e+00 3.64 -1.049041832e+00 -1.049041832e+00 3.66 -1.018839257e+00 -1.018839257e+00 3.68 -9.893294647e-01 -9.893294647e-01 3.70 -9.604920138e-01 -9.604920138e-01 3.72 -9.323061276e-01 -9.323061276e-01 3.74 -9.047512834e-01 -9.047512834e-01 3.76 -8.778077411e-01 -8.778077411e-01 3.78 -8.514570040e-01 -8.514570040e-01 3.80 -8.256821863e-01 -8.256821863e-01 3.82 -8.004682491e-01 -8.004682491e-01 3.84 -7.758020698e-01 -7.758020698e-01 3.86 -7.516723260e-01 -7.516723260e-01 3.88 -7.280692161e-01 -7.280692161e-01 3.90 -7.049840823e-01 -7.049840823e-01 3.92 -6.824088261e-01 -6.824088261e-01 3.94 -6.603365516e-01 -6.603365516e-01 3.96 -6.387601204e-01 -6.387601204e-01 3.98 -6.176733774e-01 -6.176733774e-01 4.00 -5.970713369e-01 -5.970713369e-01 4.02 -5.769507692e-01 -5.769507692e-01 4.04 -5.573107803e-01 -5.573107803e-01 4.06 -5.381532311e-01 -5.381532311e-01 4.08 -5.194828623e-01 -5.194828623e-01 4.10 -5.013064309e-01 -5.013064309e-01 4.12 -4.836345894e-01 -4.836345894e-01 4.14 -4.664768259e-01 -4.664768259e-01 4.16 -4.498430313e-01 -4.498430313e-01 4.18 -4.337413679e-01 -4.337413679e-01 4.20 -4.181769883e-01 -4.181769883e-01 4.22 -4.031510091e-01 -4.031510091e-01 4.24 -3.886598525e-01 -3.886598525e-01 4.26 -3.746950099e-01 -3.746950099e-01 4.28 -3.612432079e-01 -3.612432079e-01 4.30 -3.482869052e-01 -3.482869052e-01 4.32 -3.358050169e-01 -3.358050169e-01 4.34 -3.237737543e-01 -3.237737543e-01 4.36 -3.121674819e-01 -3.121674819e-01 4.38 -3.009595180e-01 -3.009595180e-01 4.40 -2.901228351e-01 -2.901228351e-01 4.42 -2.796306427e-01 -2.796306427e-01 4.44 -2.694568574e-01 -2.694568574e-01 4.46 -2.595764776e-01 -2.595764776e-01 4.48 -2.499658905e-01 -2.499658905e-01 4.50 -2.406031361e-01 -2.406031361e-01 4.52 -2.314681555e-01 -2.314681555e-01 4.54 -2.225430401e-01 -2.225430401e-01 4.56 -2.138122947e-01 -2.138122947e-01 4.58 -2.052631135e-01 -2.052631135e-01 4.60 -1.968856618e-01 -1.968856618e-01 4.62 -1.886733419e-01 -1.886733419e-01 4.64 -1.806230130e-01 -1.806230130e-01 4.66 -1.727351282e-01 -1.727351282e-01 4.68 -1.650137452e-01 -1.650137452e-01 4.70 -1.574663730e-01 -1.574663730e-01 4.72 -1.501036237e-01 -1.501036237e-01 4.74 -1.429386573e-01 -1.429386573e-01 4.76 -1.359864296e-01 -1.359864296e-01 4.78 -1.292627829e-01 -1.292627829e-01 4.80 -1.227830400e-01 -1.227830400e-01 4.82 -1.165626547e-01 -1.165626547e-01 4.84 -1.106136439e-01 -1.106136439e-01 4.86 -1.049456381e-01 -1.049456381e-01 4.88 -9.956482980e-02 -9.956482980e-02 4.90 -9.447366641e-02 -9.447366641e-02 4.92 -8.967081152e-02 -8.967081152e-02 4.94 -8.515132331e-02 -8.515132331e-02 4.96 -8.090704303e-02 -8.090704303e-02 4.98 -7.692712239e-02 -7.692712239e-02 5.00 -7.319861372e-02 -7.319861372e-02 5.02 -6.970707587e-02 -6.970707587e-02 5.04 -6.643715058e-02 -6.643715058e-02 5.06 -6.337307721e-02 -6.337307721e-02 5.08 -6.049857445e-02 -6.049857445e-02 5.10 -5.779813240e-02 -5.779813240e-02 5.12 -5.525742706e-02 -5.525742706e-02 5.14 -5.286282275e-02 -5.286282275e-02 5.16 -5.060153628e-02 -5.060153628e-02 5.18 -4.846173506e-02 -4.846173506e-02 5.20 -4.643258433e-02 -4.643258433e-02 5.22 -4.450425782e-02 -4.450425782e-02 5.24 -4.266792347e-02 -4.266792347e-02 5.26 -4.091571306e-02 -4.091571306e-02 5.28 -3.924068245e-02 -3.924068245e-02 5.30 -3.763676640e-02 -3.763676640e-02 5.32 -3.609873016e-02 -3.609873016e-02 5.34 -3.462211826e-02 -3.462211826e-02 5.36 -3.320319955e-02 -3.320319955e-02 5.38 -3.183890724e-02 -3.183890724e-02 5.40 -3.052677145e-02 -3.052677145e-02 5.42 -2.926484321e-02 -2.926484321e-02 5.44 -2.805160967e-02 -2.805160967e-02 5.46 -2.688590123e-02 -2.688590123e-02 5.48 -2.576679347e-02 -2.576679347e-02 5.50 -2.469350805e-02 -2.469350805e-02 5.52 -2.366531786e-02 -2.366531786e-02 5.54 -2.268146218e-02 -2.268146218e-02 5.56 -2.174107695e-02 -2.174107695e-02 5.58 -2.084314394e-02 -2.084314394e-02 5.60 -1.998646072e-02 -1.998646072e-02 5.62 -1.916963095e-02 -1.916963095e-02 5.64 -1.839107297e-02 -1.839107297e-02 5.66 -1.764904273e-02 -1.764904273e-02 5.68 -1.694166665e-02 -1.694166665e-02 5.70 -1.626697980e-02 -1.626697980e-02 5.72 -1.562296519e-02 -1.562296519e-02 5.74 -1.500759047e-02 -1.500759047e-02 5.76 -1.441880601e-02 -1.441880601e-02 5.78 -1.385462855e-02 -1.385462855e-02 5.80 -1.331316476e-02 -1.331316476e-02 5.82 -1.279260098e-02 -1.279260098e-02 5.84 -1.229121330e-02 -1.229121330e-02 5.86 -1.180737345e-02 -1.180737345e-02 5.88 -1.133955141e-02 -1.133955141e-02 5.90 -1.088631601e-02 -1.088631601e-02 5.92 -1.044633425e-02 -1.044633425e-02 5.94 -1.001837042e-02 -1.001837042e-02 5.96 -9.601285493e-03 -9.601285493e-03 5.98 -9.194037482e-03 -9.194037482e-03 6.00 -8.795683112e-03 -8.795683112e-03