# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = MoWZr2 # 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 2025-12-17 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 5.175656484e+02 5.175656484e+02 1.08 4.809982544e+02 4.809982544e+02 1.10 4.476102496e+02 4.476102496e+02 1.12 4.171747836e+02 4.171747836e+02 1.14 3.881906005e+02 3.881906005e+02 1.16 3.607331228e+02 3.607331228e+02 1.18 3.353891235e+02 3.353891235e+02 1.20 3.118684721e+02 3.118684721e+02 1.22 2.900297553e+02 2.900297553e+02 1.24 2.700440169e+02 2.700440169e+02 1.26 2.515499381e+02 2.515499381e+02 1.28 2.344490075e+02 2.344490075e+02 1.30 2.187913521e+02 2.187913521e+02 1.32 2.045584905e+02 2.045584905e+02 1.34 1.914347306e+02 1.914347306e+02 1.36 1.789395895e+02 1.789395895e+02 1.38 1.671304701e+02 1.671304701e+02 1.40 1.560119204e+02 1.560119204e+02 1.42 1.456458586e+02 1.456458586e+02 1.44 1.360092469e+02 1.360092469e+02 1.46 1.269058706e+02 1.269058706e+02 1.48 1.181752791e+02 1.181752791e+02 1.50 1.098500769e+02 1.098500769e+02 1.52 1.020887471e+02 1.020887471e+02 1.54 9.491327155e+01 9.491327155e+01 1.56 8.822023407e+01 8.822023407e+01 1.58 8.187636290e+01 8.187636290e+01 1.60 7.582885703e+01 7.582885703e+01 1.62 7.012355281e+01 7.012355281e+01 1.64 6.482816560e+01 6.482816560e+01 1.66 5.988010840e+01 5.988010840e+01 1.68 5.518005937e+01 5.518005937e+01 1.70 5.079307408e+01 5.079307408e+01 1.72 4.680480451e+01 4.680480451e+01 1.74 4.307681044e+01 4.307681044e+01 1.76 3.956535417e+01 3.956535417e+01 1.78 3.630152072e+01 3.630152072e+01 1.80 3.329039842e+01 3.329039842e+01 1.82 3.054040325e+01 3.054040325e+01 1.84 2.807365093e+01 2.807365093e+01 1.86 2.578077641e+01 2.578077641e+01 1.88 2.365688268e+01 2.365688268e+01 1.90 2.165954564e+01 2.165954564e+01 1.92 1.982674119e+01 1.982674119e+01 1.94 1.822898071e+01 1.822898071e+01 1.96 1.685975164e+01 1.685975164e+01 1.98 1.560332918e+01 1.560332918e+01 2.00 1.436483990e+01 1.436483990e+01 2.02 1.316463537e+01 1.316463537e+01 2.04 1.205161564e+01 1.205161564e+01 2.06 1.105961491e+01 1.105961491e+01 2.08 1.018414056e+01 1.018414056e+01 2.10 9.407857309e+00 9.407857309e+00 2.12 8.713598843e+00 8.713598843e+00 2.14 7.981106579e+00 7.981106579e+00 2.16 7.114798700e+00 7.114798700e+00 2.18 6.164572548e+00 6.164572548e+00 2.20 5.284627738e+00 5.284627738e+00 2.22 4.453260232e+00 4.453260232e+00 2.24 3.680491408e+00 3.680491408e+00 2.26 2.962991400e+00 2.962991400e+00 2.28 2.296497572e+00 2.296497572e+00 2.30 1.676359371e+00 1.676359371e+00 2.32 1.031139915e+00 1.031139915e+00 2.34 1.574557668e-01 1.574557668e-01 2.36 -6.250961959e-01 -6.250961959e-01 2.38 -1.362119492e+00 -1.362119492e+00 2.40 -2.024310898e+00 -2.024310898e+00 2.42 -2.607068360e+00 -2.607068360e+00 2.44 -3.129430298e+00 -3.129430298e+00 2.46 -3.598206704e+00 -3.598206704e+00 2.48 -4.023799341e+00 -4.023799341e+00 2.50 -4.390953460e+00 -4.390953460e+00 2.52 -4.720147912e+00 -4.720147912e+00 2.54 -5.004875341e+00 -5.004875341e+00 2.56 -5.247639449e+00 -5.247639449e+00 2.58 -5.465667065e+00 -5.465667065e+00 2.60 -5.677230043e+00 -5.677230043e+00 2.62 -5.893497542e+00 -5.893497542e+00 2.64 -6.113654801e+00 -6.113654801e+00 2.66 -6.321461176e+00 -6.321461176e+00 2.68 -6.498215670e+00 -6.498215670e+00 2.70 -6.628659614e+00 -6.628659614e+00 2.72 -6.725390392e+00 -6.725390392e+00 2.74 -6.799208220e+00 -6.799208220e+00 2.76 -6.861150291e+00 -6.861150291e+00 2.78 -6.918904299e+00 -6.918904299e+00 2.80 -6.972506825e+00 -6.972506825e+00 2.82 -7.018068074e+00 -7.018068074e+00 2.84 -7.049840551e+00 -7.049840551e+00 2.86 -7.066909509e+00 -7.066909509e+00 2.88 -7.081620667e+00 -7.081620667e+00 2.90 -7.093227807e+00 -7.093227807e+00 2.92 -7.092415795e+00 -7.092415795e+00 2.94 -7.087328371e+00 -7.087328371e+00 2.96 -7.082595246e+00 -7.082595246e+00 2.98 -7.071298118e+00 -7.071298118e+00 3.00 -7.047567404e+00 -7.047567404e+00 3.02 -6.999211694e+00 -6.999211694e+00 3.04 -6.937689422e+00 -6.937689422e+00 3.06 -6.864746994e+00 -6.864746994e+00 3.08 -6.782381372e+00 -6.782381372e+00 3.10 -6.700910478e+00 -6.700910478e+00 3.12 -6.625132402e+00 -6.625132402e+00 3.14 -6.556973451e+00 -6.556973451e+00 3.16 -6.496077077e+00 -6.496077077e+00 3.18 -6.436580888e+00 -6.436580888e+00 3.20 -6.374953293e+00 -6.374953293e+00 3.22 -6.318818922e+00 -6.318818922e+00 3.24 -6.284865158e+00 -6.284865158e+00 3.26 -6.257467393e+00 -6.257467393e+00 3.28 -6.224392630e+00 -6.224392630e+00 3.30 -6.181706820e+00 -6.181706820e+00 3.32 -6.131186912e+00 -6.131186912e+00 3.34 -6.062099196e+00 -6.062099196e+00 3.36 -5.960721405e+00 -5.960721405e+00 3.38 -5.846141528e+00 -5.846141528e+00 3.40 -5.726660171e+00 -5.726660171e+00 3.42 -5.611502647e+00 -5.611502647e+00 3.44 -5.503592509e+00 -5.503592509e+00 3.46 -5.402173251e+00 -5.402173251e+00 3.48 -5.304892721e+00 -5.304892721e+00 3.50 -5.212399433e+00 -5.212399433e+00 3.52 -5.126767062e+00 -5.126767062e+00 3.54 -5.049776818e+00 -5.049776818e+00 3.56 -4.983447750e+00 -4.983447750e+00 3.58 -4.927225613e+00 -4.927225613e+00 3.60 -4.876557888e+00 -4.876557888e+00 3.62 -4.825997898e+00 -4.825997898e+00 3.64 -4.770203390e+00 -4.770203390e+00 3.66 -4.706558904e+00 -4.706558904e+00 3.68 -4.635476680e+00 -4.635476680e+00 3.70 -4.557339282e+00 -4.557339282e+00 3.72 -4.473285670e+00 -4.473285670e+00 3.74 -4.385812285e+00 -4.385812285e+00 3.76 -4.295536091e+00 -4.295536091e+00 3.78 -4.194790021e+00 -4.194790021e+00 3.80 -4.065442111e+00 -4.065442111e+00 3.82 -3.866530268e+00 -3.866530268e+00 3.84 -3.598084233e+00 -3.598084233e+00 3.86 -3.312106376e+00 -3.312106376e+00 3.88 -3.019116414e+00 -3.019116414e+00 3.90 -2.744330809e+00 -2.744330809e+00 3.92 -2.559651628e+00 -2.559651628e+00 3.94 -2.450295736e+00 -2.450295736e+00 3.96 -2.360015385e+00 -2.360015385e+00 3.98 -2.271463232e+00 -2.271463232e+00 4.00 -2.190043286e+00 -2.190043286e+00 4.02 -2.118482896e+00 -2.118482896e+00 4.04 -2.056633142e+00 -2.056633142e+00 4.06 -2.002252761e+00 -2.002252761e+00 4.08 -1.953383146e+00 -1.953383146e+00 4.10 -1.908582511e+00 -1.908582511e+00 4.12 -1.867186162e+00 -1.867186162e+00 4.14 -1.829566781e+00 -1.829566781e+00 4.16 -1.796263002e+00 -1.796263002e+00 4.18 -1.767753509e+00 -1.767753509e+00 4.20 -1.744494846e+00 -1.744494846e+00 4.22 -1.726981761e+00 -1.726981761e+00 4.24 -1.714633845e+00 -1.714633845e+00 4.26 -1.705974044e+00 -1.705974044e+00 4.28 -1.699488919e+00 -1.699488919e+00 4.30 -1.693657826e+00 -1.693657826e+00 4.32 -1.686957441e+00 -1.686957441e+00 4.34 -1.678052026e+00 -1.678052026e+00 4.36 -1.666816086e+00 -1.666816086e+00 4.38 -1.653677157e+00 -1.653677157e+00 4.40 -1.639086373e+00 -1.639086373e+00 4.42 -1.623484312e+00 -1.623484312e+00 4.44 -1.607298754e+00 -1.607298754e+00 4.46 -1.590970190e+00 -1.590970190e+00 4.48 -1.574659934e+00 -1.574659934e+00 4.50 -1.558481547e+00 -1.558481547e+00 4.52 -1.542576213e+00 -1.542576213e+00 4.54 -1.527073325e+00 -1.527073325e+00 4.56 -1.512087115e+00 -1.512087115e+00 4.58 -1.497377804e+00 -1.497377804e+00 4.60 -1.482203094e+00 -1.482203094e+00 4.62 -1.466072841e+00 -1.466072841e+00 4.64 -1.448609449e+00 -1.448609449e+00 4.66 -1.429413328e+00 -1.429413328e+00 4.68 -1.408093998e+00 -1.408093998e+00 4.70 -1.384827671e+00 -1.384827671e+00 4.72 -1.360503091e+00 -1.360503091e+00 4.74 -1.336056621e+00 -1.336056621e+00 4.76 -1.312019674e+00 -1.312019674e+00 4.78 -1.288825132e+00 -1.288825132e+00 4.80 -1.266905493e+00 -1.266905493e+00 4.82 -1.246209459e+00 -1.246209459e+00 4.84 -1.226220980e+00 -1.226220980e+00 4.86 -1.206377030e+00 -1.206377030e+00 4.88 -1.186176498e+00 -1.186176498e+00 4.90 -1.165606993e+00 -1.165606993e+00 4.92 -1.144833428e+00 -1.144833428e+00 4.94 -1.124495308e+00 -1.124495308e+00 4.96 -1.105586876e+00 -1.105586876e+00 4.98 -1.089110264e+00 -1.089110264e+00 5.00 -1.076058099e+00 -1.076058099e+00 5.02 -1.067082647e+00 -1.067082647e+00 5.04 -1.061836505e+00 -1.061836505e+00 5.06 -1.058556777e+00 -1.058556777e+00 5.08 -1.055014279e+00 -1.055014279e+00 5.10 -1.048980329e+00 -1.048980329e+00 5.12 -1.038250672e+00 -1.038250672e+00 5.14 -1.020764989e+00 -1.020764989e+00 5.16 -9.959645638e-01 -9.959645638e-01 5.18 -9.653717790e-01 -9.653717790e-01 5.20 -9.307743000e-01 -9.307743000e-01 5.22 -8.938976118e-01 -8.938976118e-01 5.24 -8.562470998e-01 -8.562470998e-01 5.26 -8.190583763e-01 -8.190583763e-01 5.28 -7.835170367e-01 -7.835170367e-01 5.30 -7.504954569e-01 -7.504954569e-01 5.32 -7.222503280e-01 -7.222503280e-01 5.34 -7.009536432e-01 -7.009536432e-01 5.36 -6.877355351e-01 -6.877355351e-01 5.38 -6.812307493e-01 -6.812307493e-01 5.40 -6.744521678e-01 -6.744521678e-01 5.42 -6.664095986e-01 -6.664095986e-01 5.44 -6.572530213e-01 -6.572530213e-01 5.46 -6.471855988e-01 -6.471855988e-01 5.48 -6.364091958e-01 -6.364091958e-01 5.50 -6.251302388e-01 -6.251302388e-01 5.52 -6.135601290e-01 -6.135601290e-01 5.54 -6.019169776e-01 -6.019169776e-01 5.56 -5.903319831e-01 -5.903319831e-01 5.58 -5.788269874e-01 -5.788269874e-01 5.60 -5.674046665e-01 -5.674046665e-01 5.62 -5.560411105e-01 -5.560411105e-01 5.64 -5.446984701e-01 -5.446984701e-01 5.66 -5.333229817e-01 -5.333229817e-01 5.68 -5.218307235e-01 -5.218307235e-01 5.70 -5.100620939e-01 -5.100620939e-01 5.72 -4.978283781e-01 -4.978283781e-01 5.74 -4.849156655e-01 -4.849156655e-01 5.76 -4.710737537e-01 -4.710737537e-01 5.78 -4.560069515e-01 -4.560069515e-01 5.80 -4.393591226e-01 -4.393591226e-01 5.82 -4.207659508e-01 -4.207659508e-01 5.84 -3.999856940e-01 -3.999856940e-01 5.86 -3.771101325e-01 -3.771101325e-01 5.88 -3.525577058e-01 -3.525577058e-01 5.90 -3.274083258e-01 -3.274083258e-01 5.92 -3.027631166e-01 -3.027631166e-01 5.94 -2.787073744e-01 -2.787073744e-01 5.96 -2.551562816e-01 -2.551562816e-01 5.98 -2.317917592e-01 -2.317917592e-01 6.00 -2.082910049e-01 -2.082910049e-01