# 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 = MgNi2Ti # 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 2.168543033e+02 2.168543033e+02 1.30 1.999947353e+02 1.999947353e+02 1.32 1.844443845e+02 1.844443845e+02 1.34 1.700911780e+02 1.700911780e+02 1.36 1.568351689e+02 1.568351689e+02 1.38 1.445885170e+02 1.445885170e+02 1.40 1.332730948e+02 1.332730948e+02 1.42 1.228178751e+02 1.228178751e+02 1.44 1.131573787e+02 1.131573787e+02 1.46 1.042308645e+02 1.042308645e+02 1.48 9.598165635e+01 9.598165635e+01 1.50 8.835663932e+01 8.835663932e+01 1.52 8.130624661e+01 8.130624661e+01 1.54 7.478483299e+01 7.478483299e+01 1.56 6.875090077e+01 6.875090077e+01 1.58 6.316683461e+01 6.316683461e+01 1.60 5.799837531e+01 5.799837531e+01 1.62 5.321424154e+01 5.321424154e+01 1.64 4.878592985e+01 4.878592985e+01 1.66 4.468757464e+01 4.468757464e+01 1.68 4.089520399e+01 4.089520399e+01 1.70 3.738611481e+01 3.738611481e+01 1.72 3.413902383e+01 3.413902383e+01 1.74 3.113399662e+01 3.113399662e+01 1.76 2.835245323e+01 2.835245323e+01 1.78 2.577727194e+01 2.577727194e+01 1.80 2.339287539e+01 2.339287539e+01 1.82 2.118526422e+01 2.118526422e+01 1.84 1.914192828e+01 1.914192828e+01 1.86 1.725161541e+01 1.725161541e+01 1.88 1.550400390e+01 1.550400390e+01 1.90 1.388939283e+01 1.388939283e+01 1.92 1.239849831e+01 1.239849831e+01 1.94 1.102239232e+01 1.102239232e+01 1.96 9.752561109e+00 9.752561109e+00 1.98 8.581021956e+00 8.581021956e+00 2.00 7.500414181e+00 7.500414181e+00 2.02 6.504012758e+00 6.504012758e+00 2.04 5.585675345e+00 5.585675345e+00 2.06 4.739769155e+00 4.739769155e+00 2.08 3.961115484e+00 3.961115484e+00 2.10 3.244959297e+00 3.244959297e+00 2.12 2.586946650e+00 2.586946650e+00 2.14 1.983090907e+00 1.983090907e+00 2.16 1.429722457e+00 1.429722457e+00 2.18 9.234248889e-01 9.234248889e-01 2.20 4.609694098e-01 4.609694098e-01 2.22 3.925677732e-02 3.925677732e-02 2.24 -3.447194307e-01 -3.447194307e-01 2.26 -6.938828197e-01 -6.938828197e-01 2.28 -1.011062526e+00 -1.011062526e+00 2.30 -1.298969376e+00 -1.298969376e+00 2.32 -1.560175201e+00 -1.560175201e+00 2.34 -1.797087995e+00 -1.797087995e+00 2.36 -2.011924008e+00 -2.011924008e+00 2.38 -2.206674151e+00 -2.206674151e+00 2.40 -2.383079769e+00 -2.383079769e+00 2.42 -2.542632728e+00 -2.542632728e+00 2.44 -2.686626164e+00 -2.686626164e+00 2.46 -2.816192380e+00 -2.816192380e+00 2.48 -2.932230188e+00 -2.932230188e+00 2.50 -3.035568912e+00 -3.035568912e+00 2.52 -3.126996507e+00 -3.126996507e+00 2.54 -3.207266447e+00 -3.207266447e+00 2.56 -3.277103517e+00 -3.277103517e+00 2.58 -3.337200633e+00 -3.337200633e+00 2.60 -3.388163219e+00 -3.388163219e+00 2.62 -3.430489874e+00 -3.430489874e+00 2.64 -3.464681291e+00 -3.464681291e+00 2.66 -3.491236632e+00 -3.491236632e+00 2.68 -3.510485680e+00 -3.510485680e+00 2.70 -3.522685320e+00 -3.522685320e+00 2.72 -3.528165694e+00 -3.528165694e+00 2.74 -3.527320087e+00 -3.527320087e+00 2.76 -3.520586477e+00 -3.520586477e+00 2.78 -3.508424937e+00 -3.508424937e+00 2.80 -3.491294962e+00 -3.491294962e+00 2.82 -3.469634717e+00 -3.469634717e+00 2.84 -3.443849031e+00 -3.443849031e+00 2.86 -3.414304606e+00 -3.414304606e+00 2.88 -3.381332150e+00 -3.381332150e+00 2.90 -3.345232446e+00 -3.345232446e+00 2.92 -3.306283676e+00 -3.306283676e+00 2.94 -3.264748358e+00 -3.264748358e+00 2.96 -3.220879356e+00 -3.220879356e+00 2.98 -3.174924839e+00 -3.174924839e+00 3.00 -3.127131835e+00 -3.127131835e+00 3.02 -3.077747590e+00 -3.077747590e+00 3.04 -3.027017692e+00 -3.027017692e+00 3.06 -2.975182347e+00 -2.975182347e+00 3.08 -2.922468265e+00 -2.922468265e+00 3.10 -2.869083392e+00 -2.869083392e+00 3.12 -2.815212189e+00 -2.815212189e+00 3.14 -2.761015537e+00 -2.761015537e+00 3.16 -2.706631215e+00 -2.706631215e+00 3.18 -2.652178622e+00 -2.652178622e+00 3.20 -2.597769545e+00 -2.597769545e+00 3.22 -2.543510005e+00 -2.543510005e+00 3.24 -2.489468053e+00 -2.489468053e+00 3.26 -2.435707161e+00 -2.435707161e+00 3.28 -2.382288179e+00 -2.382288179e+00 3.30 -2.329268592e+00 -2.329268592e+00 3.32 -2.276701358e+00 -2.276701358e+00 3.34 -2.224633610e+00 -2.224633610e+00 3.36 -2.173104767e+00 -2.173104767e+00 3.38 -2.122129734e+00 -2.122129734e+00 3.40 -2.071701572e+00 -2.071701572e+00 3.42 -2.021813239e+00 -2.021813239e+00 3.44 -1.972458765e+00 -1.972458765e+00 3.46 -1.923634638e+00 -1.923634638e+00 3.48 -1.875341145e+00 -1.875341145e+00 3.50 -1.827583636e+00 -1.827583636e+00 3.52 -1.780373186e+00 -1.780373186e+00 3.54 -1.733726345e+00 -1.733726345e+00 3.56 -1.687663791e+00 -1.687663791e+00 3.58 -1.642208049e+00 -1.642208049e+00 3.60 -1.597380708e+00 -1.597380708e+00 3.62 -1.553199792e+00 -1.553199792e+00 3.64 -1.509677911e+00 -1.509677911e+00 3.66 -1.466821623e+00 -1.466821623e+00 3.68 -1.424632108e+00 -1.424632108e+00 3.70 -1.383106953e+00 -1.383106953e+00 3.72 -1.342242667e+00 -1.342242667e+00 3.74 -1.302037503e+00 -1.302037503e+00 3.76 -1.262494193e+00 -1.262494193e+00 3.78 -1.223622260e+00 -1.223622260e+00 3.80 -1.185439631e+00 -1.185439631e+00 3.82 -1.147973302e+00 -1.147973302e+00 3.84 -1.111258868e+00 -1.111258868e+00 3.86 -1.075338813e+00 -1.075338813e+00 3.88 -1.040259639e+00 -1.040259639e+00 3.90 -1.006068101e+00 -1.006068101e+00 3.92 -9.728068845e-01 -9.728068845e-01 3.94 -9.405111270e-01 -9.405111270e-01 3.96 -9.092042486e-01 -9.092042486e-01 3.98 -8.788964476e-01 -8.788964476e-01 4.00 -8.495837773e-01 -8.495837773e-01 4.02 -8.212486916e-01 -8.212486916e-01 4.04 -7.938616251e-01 -7.938616251e-01 4.06 -7.673832258e-01 -7.673832258e-01 4.08 -7.417668508e-01 -7.417668508e-01 4.10 -7.169606621e-01 -7.169606621e-01 4.12 -6.929112295e-01 -6.929112295e-01 4.14 -6.695630476e-01 -6.695630476e-01 4.16 -6.468615455e-01 -6.468615455e-01 4.18 -6.247537321e-01 -6.247537321e-01 4.20 -6.031890287e-01 -6.031890287e-01 4.22 -5.821199626e-01 -5.821199626e-01 4.24 -5.615028183e-01 -5.615028183e-01 4.26 -5.412983241e-01 -5.412983241e-01 4.28 -5.214724266e-01 -5.214724266e-01 4.30 -5.019971700e-01 -5.019971700e-01 4.32 -4.828516588e-01 -4.828516588e-01 4.34 -4.640230387e-01 -4.640230387e-01 4.36 -4.455073886e-01 -4.455073886e-01 4.38 -4.273103786e-01 -4.273103786e-01 4.40 -4.094475281e-01 -4.094475281e-01 4.42 -3.919439015e-01 -3.919439015e-01 4.44 -3.748331150e-01 -3.748331150e-01 4.46 -3.581555996e-01 -3.581555996e-01 4.48 -3.419561685e-01 -3.419561685e-01 4.50 -3.262810518e-01 -3.262810518e-01 4.52 -3.111746654e-01 -3.111746654e-01 4.54 -2.966764468e-01 -2.966764468e-01 4.56 -2.828180990e-01 -2.828180990e-01 4.58 -2.696215290e-01 -2.696215290e-01 4.60 -2.570976611e-01 -2.570976611e-01 4.62 -2.452461748e-01 -2.452461748e-01 4.64 -2.340560902e-01 -2.340560902e-01 4.66 -2.235070259e-01 -2.235070259e-01 4.68 -2.135709064e-01 -2.135709064e-01 4.70 -2.042138843e-01 -2.042138843e-01 4.72 -1.953982751e-01 -1.953982751e-01 4.74 -1.870843516e-01 -1.870843516e-01 4.76 -1.792319007e-01 -1.792319007e-01 4.78 -1.718014989e-01 -1.718014989e-01 4.80 -1.647552613e-01 -1.647552613e-01 4.82 -1.580585767e-01 -1.580585767e-01 4.84 -1.516790314e-01 -1.516790314e-01 4.86 -1.455878349e-01 -1.455878349e-01 4.88 -1.397596999e-01 -1.397596999e-01 4.90 -1.341728939e-01 -1.341728939e-01 4.92 -1.288091889e-01 -1.288091889e-01 4.94 -1.236536926e-01 -1.236536926e-01 4.96 -1.186946243e-01 -1.186946243e-01 4.98 -1.139230708e-01 -1.139230708e-01 5.00 -1.093325007e-01 -1.093325007e-01 5.02 -1.049182827e-01 -1.049182827e-01 5.04 -1.006771512e-01 -1.006771512e-01 5.06 -9.660665164e-02 -9.660665164e-02 5.08 -9.270458274e-02 -9.270458274e-02 5.10 -8.896790876e-02 -8.896790876e-02 5.12 -8.539377970e-02 -8.539377970e-02 5.14 -8.197882100e-02 -8.197882100e-02 5.16 -7.871853246e-02 -7.871853246e-02 5.18 -7.560730690e-02 -7.560730690e-02 5.20 -7.263854957e-02 -7.263854957e-02 5.22 -6.980486795e-02 -6.980486795e-02 5.24 -6.709829948e-02 -6.709829948e-02 5.26 -6.451054835e-02 -6.451054835e-02 5.28 -6.203320893e-02 -6.203320893e-02 5.30 -5.965796048e-02 -5.965796048e-02 5.32 -5.737672499e-02 -5.737672499e-02 5.34 -5.518178590e-02 -5.518178590e-02 5.36 -5.306586908e-02 -5.306586908e-02 5.38 -5.102219047e-02 -5.102219047e-02 5.40 -4.904447598e-02 -4.904447598e-02 5.42 -4.712695966e-02 -4.712695966e-02 5.44 -4.526436668e-02 -4.526436668e-02 5.46 -4.345188720e-02 -4.345188720e-02 5.48 -4.168514730e-02 -4.168514730e-02 5.50 -3.996018285e-02 -3.996018285e-02 5.52 -3.827342128e-02 -3.827342128e-02 5.54 -3.662167580e-02 -3.662167580e-02 5.56 -3.500215489e-02 -3.500215489e-02 5.58 -3.341248801e-02 -3.341248801e-02 5.60 -3.185076638e-02 -3.185076638e-02 5.62 -3.031559529e-02 -3.031559529e-02 5.64 -2.880615174e-02 -2.880615174e-02 5.66 -2.732223967e-02 -2.732223967e-02 5.68 -2.586433347e-02 -2.586433347e-02 5.70 -2.443359930e-02 -2.443359930e-02 5.72 -2.303188639e-02 -2.303188639e-02 5.74 -2.166168059e-02 -2.166168059e-02 5.76 -2.032601620e-02 -2.032601620e-02 5.78 -1.902834656e-02 -1.902834656e-02 5.80 -1.777237858e-02 -1.777237858e-02 5.82 -1.656188084e-02 -1.656188084e-02 5.84 -1.540047923e-02 -1.540047923e-02 5.86 -1.429145602e-02 -1.429145602e-02 5.88 -1.323753761e-02 -1.323753761e-02 5.90 -1.224067132e-02 -1.224067132e-02 5.92 -1.130221781e-02 -1.130221781e-02 5.94 -1.042272743e-02 -1.042272743e-02 5.96 -9.601912054e-03 -9.601912054e-03 5.98 -8.838693518e-03 -8.838693518e-03 6.00 -8.131290405e-03 -8.131290405e-03