# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Hayakawa-S-Xu-H--Fe-Ni-Al # implementation = 2024--Hayakawa-S--Fe-Ni-Al--LAMMPS--ipr1 # composition = AlFeNi2 # 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 nan nan 1.08 nan nan 1.10 4.573366398e+02 4.573366398e+02 1.12 nan nan 1.14 3.889125834e+02 3.889125834e+02 1.16 3.615064427e+02 3.615064427e+02 1.18 3.375623005e+02 3.375623005e+02 1.20 3.164670086e+02 3.164670086e+02 1.22 2.977990657e+02 2.977990657e+02 1.24 2.812347671e+02 2.812347671e+02 1.26 2.665131463e+02 2.665131463e+02 1.28 2.533989764e+02 2.533989764e+02 1.30 2.416493949e+02 2.416493949e+02 1.32 2.310372691e+02 2.310372691e+02 1.34 2.213934660e+02 2.213934660e+02 1.36 2.125690253e+02 2.125690253e+02 1.38 2.044310251e+02 2.044310251e+02 1.40 1.968642449e+02 1.968642449e+02 1.42 1.897648871e+02 1.897648871e+02 1.44 1.830372091e+02 1.830372091e+02 1.46 1.765912557e+02 1.765912557e+02 1.48 1.703500754e+02 1.703500754e+02 1.50 1.642399610e+02 1.642399610e+02 1.52 1.581864703e+02 1.581864703e+02 1.54 1.521118322e+02 1.521118322e+02 1.56 1.455224794e+02 1.455224794e+02 1.58 1.383441022e+02 1.383441022e+02 1.60 1.307567643e+02 1.307567643e+02 1.62 1.229174783e+02 1.229174783e+02 1.64 1.149658987e+02 1.149658987e+02 1.66 1.069742938e+02 1.069742938e+02 1.68 9.896530026e+01 9.896530026e+01 1.70 9.097280492e+01 9.097280492e+01 1.72 8.304099438e+01 8.304099438e+01 1.74 7.522168282e+01 7.522168282e+01 1.76 6.757242709e+01 6.757242709e+01 1.78 6.015405814e+01 6.015405814e+01 1.80 5.302781957e+01 5.302781957e+01 1.82 4.625199235e+01 4.625199235e+01 1.84 3.987157950e+01 3.987157950e+01 1.86 3.392850486e+01 3.392850486e+01 1.88 2.846134131e+01 2.846134131e+01 1.90 2.349705614e+01 2.349705614e+01 1.92 1.904928879e+01 1.904928879e+01 1.94 1.511828803e+01 1.511828803e+01 1.96 1.169192098e+01 1.169192098e+01 1.98 8.747154769e+00 8.747154769e+00 2.00 6.251982724e+00 6.251982724e+00 2.02 4.167712874e+00 4.167712874e+00 2.04 2.451674029e+00 2.451674029e+00 2.06 1.059201116e+00 1.059201116e+00 2.08 -5.463364668e-02 -5.463364668e-02 2.10 -9.332615582e-01 -9.332615582e-01 2.12 -1.638537290e+00 -1.638537290e+00 2.14 -2.216726547e+00 -2.216726547e+00 2.16 -2.685579007e+00 -2.685579007e+00 2.18 -3.061978618e+00 -3.061978618e+00 2.20 -3.361967090e+00 -3.361967090e+00 2.22 -3.600642961e+00 -3.600642961e+00 2.24 -3.792231008e+00 -3.792231008e+00 2.26 -3.950053380e+00 -3.950053380e+00 2.28 -4.083205899e+00 -4.083205899e+00 2.30 -4.196170419e+00 -4.196170419e+00 2.32 -4.292685417e+00 -4.292685417e+00 2.34 -4.374750702e+00 -4.374750702e+00 2.36 -4.443705517e+00 -4.443705517e+00 2.38 -4.499909777e+00 -4.499909777e+00 2.40 -4.542738977e+00 -4.542738977e+00 2.42 -4.571802602e+00 -4.571802602e+00 2.44 -4.588106762e+00 -4.588106762e+00 2.46 -4.593001904e+00 -4.593001904e+00 2.48 -4.587724773e+00 -4.587724773e+00 2.50 -4.573404905e+00 -4.573404905e+00 2.52 -4.551058767e+00 -4.551058767e+00 2.54 -4.521629932e+00 -4.521629932e+00 2.56 -4.486078176e+00 -4.486078176e+00 2.58 -4.445271415e+00 -4.445271415e+00 2.60 -4.399984026e+00 -4.399984026e+00 2.62 -4.350881865e+00 -4.350881865e+00 2.64 -4.298337592e+00 -4.298337592e+00 2.66 -4.242625504e+00 -4.242625504e+00 2.68 -4.184030451e+00 -4.184030451e+00 2.70 -4.122877102e+00 -4.122877102e+00 2.72 -4.059523954e+00 -4.059523954e+00 2.74 -3.994340441e+00 -3.994340441e+00 2.76 -3.927693495e+00 -3.927693495e+00 2.78 -3.859939462e+00 -3.859939462e+00 2.80 -3.791416627e+00 -3.791416627e+00 2.82 -3.722439376e+00 -3.722439376e+00 2.84 -3.653296083e+00 -3.653296083e+00 2.86 -3.584252949e+00 -3.584252949e+00 2.88 -3.515555003e+00 -3.515555003e+00 2.90 -3.447384182e+00 -3.447384182e+00 2.92 -3.379827357e+00 -3.379827357e+00 2.94 -3.312876912e+00 -3.312876912e+00 2.96 -3.246466396e+00 -3.246466396e+00 2.98 -3.180504272e+00 -3.180504272e+00 3.00 -3.114895871e+00 -3.114895871e+00 3.02 -3.049570567e+00 -3.049570567e+00 3.04 -2.984522176e+00 -2.984522176e+00 3.06 -2.919803753e+00 -2.919803753e+00 3.08 -2.855527443e+00 -2.855527443e+00 3.10 -2.791861053e+00 -2.791861053e+00 3.12 -2.728977765e+00 -2.728977765e+00 3.14 -2.667011394e+00 -2.667011394e+00 3.16 -2.606068278e+00 -2.606068278e+00 3.18 -2.546239549e+00 -2.546239549e+00 3.20 -2.487602494e+00 -2.487602494e+00 3.22 -2.430210479e+00 -2.430210479e+00 3.24 -2.374094174e+00 -2.374094174e+00 3.26 -2.319265892e+00 -2.319265892e+00 3.28 -2.265724084e+00 -2.265724084e+00 3.30 -2.213457711e+00 -2.213457711e+00 3.32 -2.162450354e+00 -2.162450354e+00 3.34 -2.112683926e+00 -2.112683926e+00 3.36 -2.064141957e+00 -2.064141957e+00 3.38 -2.016812391e+00 -2.016812391e+00 3.40 -1.970689887e+00 -1.970689887e+00 3.42 -1.925776011e+00 -1.925776011e+00 3.44 -1.882069476e+00 -1.882069476e+00 3.46 -1.839559450e+00 -1.839559450e+00 3.48 -1.798225928e+00 -1.798225928e+00 3.50 -1.758040274e+00 -1.758040274e+00 3.52 -1.718964947e+00 -1.718964947e+00 3.54 -1.680952348e+00 -1.680952348e+00 3.56 -1.643953784e+00 -1.643953784e+00 3.58 -1.607926169e+00 -1.607926169e+00 3.60 -1.572832520e+00 -1.572832520e+00 3.62 -1.538638099e+00 -1.538638099e+00 3.64 -1.505310035e+00 -1.505310035e+00 3.66 -1.472817264e+00 -1.472817264e+00 3.68 -1.441130456e+00 -1.441130456e+00 3.70 -1.410221924e+00 -1.410221924e+00 3.72 -1.380065508e+00 -1.380065508e+00 3.74 -1.350636450e+00 -1.350636450e+00 3.76 -1.321911258e+00 -1.321911258e+00 3.78 -1.293867549e+00 -1.293867549e+00 3.80 -1.266483894e+00 -1.266483894e+00 3.82 -1.239739636e+00 -1.239739636e+00 3.84 -1.213611082e+00 -1.213611082e+00 3.86 -1.188067214e+00 -1.188067214e+00 3.88 -1.163077522e+00 -1.163077522e+00 3.90 -1.138613096e+00 -1.138613096e+00 3.92 -1.114646408e+00 -1.114646408e+00 3.94 -1.091151059e+00 -1.091151059e+00 3.96 -1.068101544e+00 -1.068101544e+00 3.98 -1.045473026e+00 -1.045473026e+00 4.00 -1.023241144e+00 -1.023241144e+00 4.02 -1.001381893e+00 -1.001381893e+00 4.04 -9.798713911e-01 -9.798713911e-01 4.06 -9.586856743e-01 -9.586856743e-01 4.08 -9.378005579e-01 -9.378005579e-01 4.10 -9.171915016e-01 -9.171915016e-01 4.12 -8.968351844e-01 -8.968351844e-01 4.14 -8.767171276e-01 -8.767171276e-01 4.16 -8.568262707e-01 -8.568262707e-01 4.18 -8.371520842e-01 -8.371520842e-01 4.20 -8.176848398e-01 -8.176848398e-01 4.22 -7.984155831e-01 -7.984155831e-01 4.24 -7.793364652e-01 -7.793364652e-01 4.26 -7.604386914e-01 -7.604386914e-01 4.28 -7.417152467e-01 -7.417152467e-01 4.30 -7.231617120e-01 -7.231617120e-01 4.32 -7.047759488e-01 -7.047759488e-01 4.34 -6.865534410e-01 -6.865534410e-01 4.36 -6.684847141e-01 -6.684847141e-01 4.38 -6.505653981e-01 -6.505653981e-01 4.40 -6.328001821e-01 -6.328001821e-01 4.42 -6.152032412e-01 -6.152032412e-01 4.44 -5.977883809e-01 -5.977883809e-01 4.46 -5.805710447e-01 -5.805710447e-01 4.48 -5.635482233e-01 -5.635482233e-01 4.50 -5.467127354e-01 -5.467127354e-01 4.52 -5.300597585e-01 -5.300597585e-01 4.54 -5.135949444e-01 -5.135949444e-01 4.56 -4.973291928e-01 -4.973291928e-01 4.58 -4.812764542e-01 -4.812764542e-01 4.60 -4.654521164e-01 -4.654521164e-01 4.62 -4.498717392e-01 -4.498717392e-01 4.64 -4.345502867e-01 -4.345502867e-01 4.66 -4.195021015e-01 -4.195021015e-01 4.68 -4.047391416e-01 -4.047391416e-01 4.70 -3.902704845e-01 -3.902704845e-01 4.72 -3.761038134e-01 -3.761038134e-01 4.74 -3.622407916e-01 -3.622407916e-01 4.76 -3.486819604e-01 -3.486819604e-01 4.78 -3.354466807e-01 -3.354466807e-01 4.80 -3.225342818e-01 -3.225342818e-01 4.82 -3.099276339e-01 -3.099276339e-01 4.84 -2.976346347e-01 -2.976346347e-01 4.86 -2.856974221e-01 -2.856974221e-01 4.88 -2.741329173e-01 -2.741329173e-01 4.90 -2.628861345e-01 -2.628861345e-01 4.92 -2.518569166e-01 -2.518569166e-01 4.94 -2.409720950e-01 -2.409720950e-01 4.96 -2.303243703e-01 -2.303243703e-01 4.98 -2.200573311e-01 -2.200573311e-01 5.00 -2.103377600e-01 -2.103377600e-01 5.02 -2.012551798e-01 -2.012551798e-01 5.04 -1.925814296e-01 -1.925814296e-01 5.06 -1.841601210e-01 -1.841601210e-01 5.08 -1.758060306e-01 -1.758060306e-01 5.10 -1.672911697e-01 -1.672911697e-01 5.12 -1.585887381e-01 -1.585887381e-01 5.14 -1.497881440e-01 -1.497881440e-01 5.16 -1.409530514e-01 -1.409530514e-01 5.18 -1.321444255e-01 -1.321444255e-01 5.20 -1.234447484e-01 -1.234447484e-01 5.22 -1.150157598e-01 -1.150157598e-01 5.24 -1.069703673e-01 -1.069703673e-01 5.26 -9.937554769e-02 -9.937554769e-02 5.28 -9.225871420e-02 -9.225871420e-02 5.30 -8.554829163e-02 -8.554829163e-02 5.32 -7.924160175e-02 -7.924160175e-02 5.34 -7.335447095e-02 -7.335447095e-02 5.36 -6.788734662e-02 -6.788734662e-02 5.38 -6.282918278e-02 -6.282918278e-02 5.40 -5.816160539e-02 -5.816160539e-02 5.42 -5.386387385e-02 -5.386387385e-02 5.44 -4.991625120e-02 -4.991625120e-02 5.46 -4.629893844e-02 -4.629893844e-02 5.48 -4.299490126e-02 -4.299490126e-02 5.50 -3.997673793e-02 -3.997673793e-02 5.52 -3.721585875e-02 -3.721585875e-02 5.54 -3.467725942e-02 -3.467725942e-02 5.56 -3.233553241e-02 -3.233553241e-02 5.58 -3.017197288e-02 -3.017197288e-02 5.60 -2.817508139e-02 -2.817508139e-02 5.62 -2.635366133e-02 -2.635366133e-02 5.64 -2.470277641e-02 -2.470277641e-02 5.66 -2.322342236e-02 -2.322342236e-02 5.68 -2.192338430e-02 -2.192338430e-02 5.70 -2.076929910e-02 -2.076929910e-02 5.72 -1.971068577e-02 -1.971068577e-02 5.74 -1.871230110e-02 -1.871230110e-02 5.76 -1.775083128e-02 -1.775083128e-02 5.78 -1.680055846e-02 -1.680055846e-02 5.80 -1.584508365e-02 -1.584508365e-02 5.82 -1.487927297e-02 -1.487927297e-02 5.84 -1.390445506e-02 -1.390445506e-02 5.86 -1.292442136e-02 -1.292442136e-02 5.88 -1.194515072e-02 -1.194515072e-02 5.90 -1.097606197e-02 -1.097606197e-02 5.92 -1.002979624e-02 -1.002979624e-02 5.94 -9.107829931e-03 -9.107829931e-03 5.96 -8.212634499e-03 -8.212634499e-03 5.98 -7.347967107e-03 -7.347967107e-03 6.00 -6.518177752e-03 -6.518177752e-03