# 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 = CoMg2Zr # 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 3.580457482e+02 3.580457482e+02 1.30 3.319176493e+02 3.319176493e+02 1.32 3.077407036e+02 3.077407036e+02 1.34 2.853581897e+02 2.853581897e+02 1.36 2.646277480e+02 2.646277480e+02 1.38 2.454203497e+02 2.454203497e+02 1.40 2.276187902e+02 2.276187902e+02 1.42 2.111155347e+02 2.111155347e+02 1.44 1.958107634e+02 1.958107634e+02 1.46 1.816116745e+02 1.816116745e+02 1.48 1.684328794e+02 1.684328794e+02 1.50 1.561965982e+02 1.561965982e+02 1.52 1.448319907e+02 1.448319907e+02 1.54 1.342740904e+02 1.342740904e+02 1.56 1.244631204e+02 1.244631204e+02 1.58 1.153443180e+02 1.153443180e+02 1.60 1.068676723e+02 1.068676723e+02 1.62 9.898727816e+01 9.898727816e+01 1.64 9.166053483e+01 9.166053483e+01 1.66 8.484758890e+01 8.484758890e+01 1.68 7.851116807e+01 7.851116807e+01 1.70 7.261674626e+01 7.261674626e+01 1.72 6.713305499e+01 6.713305499e+01 1.74 6.203136497e+01 6.203136497e+01 1.76 5.728502394e+01 5.728502394e+01 1.78 5.287001674e+01 5.287001674e+01 1.80 4.876336135e+01 4.876336135e+01 1.82 4.494358712e+01 4.494358712e+01 1.84 4.139074040e+01 4.139074040e+01 1.86 3.808611761e+01 3.808611761e+01 1.88 3.501227946e+01 3.501227946e+01 1.90 3.215311176e+01 3.215311176e+01 1.92 2.949378487e+01 2.949378487e+01 1.94 2.702063189e+01 2.702063189e+01 1.96 2.472095458e+01 2.472095458e+01 1.98 2.258291659e+01 2.258291659e+01 2.00 2.059550348e+01 2.059550348e+01 2.02 1.874849772e+01 1.874849772e+01 2.04 1.703243006e+01 1.703243006e+01 2.06 1.543849183e+01 1.543849183e+01 2.08 1.395842663e+01 1.395842663e+01 2.10 1.258444752e+01 1.258444752e+01 2.12 1.130920922e+01 1.130920922e+01 2.14 1.012581612e+01 1.012581612e+01 2.16 9.027862542e+00 9.027862542e+00 2.18 8.009443053e+00 8.009443053e+00 2.20 7.065132327e+00 7.065132327e+00 2.22 6.189918968e+00 6.189918968e+00 2.24 5.379145773e+00 5.379145773e+00 2.26 4.628472807e+00 4.628472807e+00 2.28 3.933853516e+00 3.933853516e+00 2.30 3.291550653e+00 3.291550653e+00 2.32 2.698097061e+00 2.698097061e+00 2.34 2.150304160e+00 2.150304160e+00 2.36 1.645207680e+00 1.645207680e+00 2.38 1.180037389e+00 1.180037389e+00 2.40 7.521834388e-01 7.521834388e-01 2.42 3.591228096e-01 3.591228096e-01 2.44 -1.543663928e-03 -1.543663928e-03 2.46 -3.320159828e-01 -3.320159828e-01 2.48 -6.344257484e-01 -6.344257484e-01 2.50 -9.108255422e-01 -9.108255422e-01 2.52 -1.163169976e+00 -1.163169976e+00 2.54 -1.393297079e+00 -1.393297079e+00 2.56 -1.602909134e+00 -1.602909134e+00 2.58 -1.793455424e+00 -1.793455424e+00 2.60 -1.966170467e+00 -1.966170467e+00 2.62 -2.122202903e+00 -2.122202903e+00 2.64 -2.262662770e+00 -2.262662770e+00 2.66 -2.388547773e+00 -2.388547773e+00 2.68 -2.500752911e+00 -2.500752911e+00 2.70 -2.600129334e+00 -2.600129334e+00 2.72 -2.687493858e+00 -2.687493858e+00 2.74 -2.763635522e+00 -2.763635522e+00 2.76 -2.829317488e+00 -2.829317488e+00 2.78 -2.885272198e+00 -2.885272198e+00 2.80 -2.932205321e+00 -2.932205321e+00 2.82 -2.970743999e+00 -2.970743999e+00 2.84 -3.001450776e+00 -3.001450776e+00 2.86 -3.024858605e+00 -3.024858605e+00 2.88 -3.041473016e+00 -3.041473016e+00 2.90 -3.051774056e+00 -3.051774056e+00 2.92 -3.056219002e+00 -3.056219002e+00 2.94 -3.055245177e+00 -3.055245177e+00 2.96 -3.049272512e+00 -3.049272512e+00 2.98 -3.038705538e+00 -3.038705538e+00 3.00 -3.023934525e+00 -3.023934525e+00 3.02 -3.005335478e+00 -3.005335478e+00 3.04 -2.983266372e+00 -2.983266372e+00 3.06 -2.958075196e+00 -2.958075196e+00 3.08 -2.930080469e+00 -2.930080469e+00 3.10 -2.899580982e+00 -2.899580982e+00 3.12 -2.866849466e+00 -2.866849466e+00 3.14 -2.832143508e+00 -2.832143508e+00 3.16 -2.795692286e+00 -2.795692286e+00 3.18 -2.757711339e+00 -2.757711339e+00 3.20 -2.718403162e+00 -2.718403162e+00 3.22 -2.677960841e+00 -2.677960841e+00 3.24 -2.636571411e+00 -2.636571411e+00 3.26 -2.594418556e+00 -2.594418556e+00 3.28 -2.551683943e+00 -2.551683943e+00 3.30 -2.508546413e+00 -2.508546413e+00 3.32 -2.465178669e+00 -2.465178669e+00 3.34 -2.421741965e+00 -2.421741965e+00 3.36 -2.378380159e+00 -2.378380159e+00 3.38 -2.335214827e+00 -2.335214827e+00 3.40 -2.292341604e+00 -2.292341604e+00 3.42 -2.249835660e+00 -2.249835660e+00 3.44 -2.207746524e+00 -2.207746524e+00 3.46 -2.166108087e+00 -2.166108087e+00 3.48 -2.124941627e+00 -2.124941627e+00 3.50 -2.084279096e+00 -2.084279096e+00 3.52 -2.044135789e+00 -2.044135789e+00 3.54 -2.004490749e+00 -2.004490749e+00 3.56 -1.965326174e+00 -1.965326174e+00 3.58 -1.926627138e+00 -1.926627138e+00 3.60 -1.888381073e+00 -1.888381073e+00 3.62 -1.850577252e+00 -1.850577252e+00 3.64 -1.813206403e+00 -1.813206403e+00 3.66 -1.776260570e+00 -1.776260570e+00 3.68 -1.739732727e+00 -1.739732727e+00 3.70 -1.703600415e+00 -1.703600415e+00 3.72 -1.667821246e+00 -1.667821246e+00 3.74 -1.632362664e+00 -1.632362664e+00 3.76 -1.597204276e+00 -1.597204276e+00 3.78 -1.562338230e+00 -1.562338230e+00 3.80 -1.527769440e+00 -1.527769440e+00 3.82 -1.493515339e+00 -1.493515339e+00 3.84 -1.459604831e+00 -1.459604831e+00 3.86 -1.426076218e+00 -1.426076218e+00 3.88 -1.392974053e+00 -1.392974053e+00 3.90 -1.360345166e+00 -1.360345166e+00 3.92 -1.328232883e+00 -1.328232883e+00 3.94 -1.296679092e+00 -1.296679092e+00 3.96 -1.265711509e+00 -1.265711509e+00 3.98 -1.235348722e+00 -1.235348722e+00 4.00 -1.205598105e+00 -1.205598105e+00 4.02 -1.176456831e+00 -1.176456831e+00 4.04 -1.147913799e+00 -1.147913799e+00 4.06 -1.119952020e+00 -1.119952020e+00 4.08 -1.092551050e+00 -1.092551050e+00 4.10 -1.065685417e+00 -1.065685417e+00 4.12 -1.039342298e+00 -1.039342298e+00 4.14 -1.013497976e+00 -1.013497976e+00 4.16 -9.881363772e-01 -9.881363772e-01 4.18 -9.632450792e-01 -9.632450792e-01 4.20 -9.388156493e-01 -9.388156493e-01 4.22 -9.148436978e-01 -9.148436978e-01 4.24 -8.913286518e-01 -8.913286518e-01 4.26 -8.682732513e-01 -8.682732513e-01 4.28 -8.456827838e-01 -8.456827838e-01 4.30 -8.235641000e-01 -8.235641000e-01 4.32 -8.019244960e-01 -8.019244960e-01 4.34 -7.807705755e-01 -7.807705755e-01 4.36 -7.601072265e-01 -7.601072265e-01 4.38 -7.399368281e-01 -7.399368281e-01 4.40 -7.202587663e-01 -7.202587663e-01 4.42 -7.010692787e-01 -7.010692787e-01 4.44 -6.823615971e-01 -6.823615971e-01 4.46 -6.641263117e-01 -6.641263117e-01 4.48 -6.463518668e-01 -6.463518668e-01 4.50 -6.290250992e-01 -6.290250992e-01 4.52 -6.121317509e-01 -6.121317509e-01 4.54 -5.956569111e-01 -5.956569111e-01 4.56 -5.795853700e-01 -5.795853700e-01 4.58 -5.639018829e-01 -5.639018829e-01 4.60 -5.485913597e-01 -5.485913597e-01 4.62 -5.336389974e-01 -5.336389974e-01 4.64 -5.190303788e-01 -5.190303788e-01 4.66 -5.047515550e-01 -5.047515550e-01 4.68 -4.907891305e-01 -4.907891305e-01 4.70 -4.771303598e-01 -4.771303598e-01 4.72 -4.637632670e-01 -4.637632670e-01 4.74 -4.506767885e-01 -4.506767885e-01 4.76 -4.378609391e-01 -4.378609391e-01 4.78 -4.253069966e-01 -4.253069966e-01 4.80 -4.130042226e-01 -4.130042226e-01 4.82 -4.009545050e-01 -4.009545050e-01 4.84 -3.891498237e-01 -3.891498237e-01 4.86 -3.775882070e-01 -3.775882070e-01 4.88 -3.662695538e-01 -3.662695538e-01 4.90 -3.551955286e-01 -3.551955286e-01 4.92 -3.443693293e-01 -3.443693293e-01 4.94 -3.337953231e-01 -3.337953231e-01 4.96 -3.234785640e-01 -3.234785640e-01 4.98 -3.134242258e-01 -3.134242258e-01 5.00 -3.036369986e-01 -3.036369986e-01 5.02 -2.941205101e-01 -2.941205101e-01 5.04 -2.848768306e-01 -2.848768306e-01 5.06 -2.759061105e-01 -2.759061105e-01 5.08 -2.672063820e-01 -2.672063820e-01 5.10 -2.587735313e-01 -2.587735313e-01 5.12 -2.506014291e-01 -2.506014291e-01 5.14 -2.426821877e-01 -2.426821877e-01 5.16 -2.350065074e-01 -2.350065074e-01 5.18 -2.275640719e-01 -2.275640719e-01 5.20 -2.203439569e-01 -2.203439569e-01 5.22 -2.133350266e-01 -2.133350266e-01 5.24 -2.065262981e-01 -2.065262981e-01 5.26 -1.999072666e-01 -1.999072666e-01 5.28 -1.934681842e-01 -1.934681842e-01 5.30 -1.872002930e-01 -1.872002930e-01 5.32 -1.810960117e-01 -1.810960117e-01 5.34 -1.751490726e-01 -1.751490726e-01 5.36 -1.693546079e-01 -1.693546079e-01 5.38 -1.637091767e-01 -1.637091767e-01 5.40 -1.582107296e-01 -1.582107296e-01 5.42 -1.528585037e-01 -1.528585037e-01 5.44 -1.476528477e-01 -1.476528477e-01 5.46 -1.425949797e-01 -1.425949797e-01 5.48 -1.376866902e-01 -1.376866902e-01 5.50 -1.329300063e-01 -1.329300063e-01 5.52 -1.283268433e-01 -1.283268433e-01 5.54 -1.238786703e-01 -1.238786703e-01 5.56 -1.195862165e-01 -1.195862165e-01 5.58 -1.154492423e-01 -1.154492423e-01 5.60 -1.114663890e-01 -1.114663890e-01 5.62 -1.076351141e-01 -1.076351141e-01 5.64 -1.039517077e-01 -1.039517077e-01 5.66 -1.004113785e-01 -1.004113785e-01 5.68 -9.700839214e-02 -9.700839214e-02 5.70 -9.373624315e-02 -9.373624315e-02 5.72 -9.058784046e-02 -9.058784046e-02 5.74 -8.755569117e-02 -8.755569117e-02 5.76 -8.463205303e-02 -8.463205303e-02 5.78 -8.180910990e-02 -8.180910990e-02 5.80 -7.907909461e-02 -7.907909461e-02 5.82 -7.643437176e-02 -7.643437176e-02 5.84 -7.386750871e-02 -7.386750871e-02 5.86 -7.137130575e-02 -7.137130575e-02 5.88 -6.893885491e-02 -6.893885491e-02 5.90 -6.656358695e-02 -6.656358695e-02 5.92 -6.423925536e-02 -6.423925536e-02 5.94 -6.195995166e-02 -6.195995166e-02 5.96 -5.972012216e-02 -5.972012216e-02 5.98 -5.751458963e-02 -5.751458963e-02 6.00 -5.533858228e-02 -5.533858228e-02