# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C # implementation = 2019--Aslam-I--Fe-Mn-Si-C--LAMMPS--ipr1 # composition = FeMn2Si # 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 2022-05-24 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 4.988502418e+02 4.988502418e+02 1.00 4.637418431e+02 4.637418431e+02 1.02 4.314423348e+02 4.314423348e+02 1.04 4.016945916e+02 4.016945916e+02 1.06 3.742682851e+02 3.742682851e+02 1.08 3.489567275e+02 3.489567275e+02 1.10 3.255741275e+02 3.255741275e+02 1.12 3.039532054e+02 3.039532054e+02 1.14 2.839431149e+02 2.839431149e+02 1.16 2.654076234e+02 2.654076234e+02 1.18 2.482235201e+02 2.482235201e+02 1.20 2.322792184e+02 2.322792184e+02 1.22 2.174735238e+02 2.174735238e+02 1.24 2.037145504e+02 2.037145504e+02 1.26 1.909187620e+02 1.909187620e+02 1.28 1.790101229e+02 1.790101229e+02 1.30 1.679193464e+02 1.679193464e+02 1.32 1.575832259e+02 1.575832259e+02 1.34 1.479440400e+02 1.479440400e+02 1.36 1.389490222e+02 1.389490222e+02 1.38 1.305498877e+02 1.305498877e+02 1.40 1.227024095e+02 1.227024095e+02 1.42 1.153660401e+02 1.153660401e+02 1.44 1.085035708e+02 1.085035708e+02 1.46 1.020808268e+02 1.020808268e+02 1.48 9.606639248e+01 9.606639248e+01 1.50 9.043136456e+01 9.043136456e+01 1.52 8.514912908e+01 8.514912908e+01 1.54 8.019516047e+01 8.019516047e+01 1.56 7.554683981e+01 7.554683981e+01 1.58 7.118329076e+01 7.118329076e+01 1.60 6.708523062e+01 6.708523062e+01 1.62 6.323483556e+01 6.323483556e+01 1.64 5.961561844e+01 5.961561844e+01 1.66 5.621231755e+01 5.621231755e+01 1.68 5.301079581e+01 5.301079581e+01 1.70 4.999794888e+01 4.999794888e+01 1.72 4.716162149e+01 4.716162149e+01 1.74 4.449053130e+01 4.449053130e+01 1.76 4.197419935e+01 4.197419935e+01 1.78 3.960288656e+01 3.960288656e+01 1.80 3.736753591e+01 3.736753591e+01 1.82 3.525971931e+01 3.525971931e+01 1.84 3.327158917e+01 3.327158917e+01 1.86 3.139583406e+01 3.139583406e+01 1.88 2.962563796e+01 2.962563796e+01 1.90 2.808369028e+01 2.808369028e+01 1.92 2.790841028e+01 2.790841028e+01 1.94 2.861674559e+01 2.861674559e+01 1.96 2.956762098e+01 2.956762098e+01 1.98 3.037786997e+01 3.037786997e+01 2.00 3.084320664e+01 3.084320664e+01 2.02 3.087905022e+01 3.087905022e+01 2.04 3.047747649e+01 3.047747649e+01 2.06 2.967650755e+01 2.967650755e+01 2.08 2.853867513e+01 2.853867513e+01 2.10 2.713650656e+01 2.713650656e+01 2.12 2.554309811e+01 2.554309811e+01 2.14 2.382635697e+01 2.382635697e+01 2.16 2.204584217e+01 2.204584217e+01 2.18 2.025139137e+01 2.025139137e+01 2.20 1.848292756e+01 1.848292756e+01 2.22 1.677100125e+01 1.677100125e+01 2.24 1.513776061e+01 1.513776061e+01 2.26 1.359812821e+01 1.359812821e+01 2.28 1.216103000e+01 1.216103000e+01 2.30 1.083058193e+01 1.083058193e+01 2.32 9.607176562e+00 9.607176562e+00 2.34 8.488437380e+00 8.488437380e+00 2.36 7.470030971e+00 7.470030971e+00 2.38 6.546337580e+00 6.546337580e+00 2.40 5.710989083e+00 5.710989083e+00 2.42 4.957288494e+00 4.957288494e+00 2.44 4.278526192e+00 4.278526192e+00 2.46 3.668209238e+00 3.668209238e+00 2.48 3.120218887e+00 3.120218887e+00 2.50 2.628909200e+00 2.628909200e+00 2.52 2.189135788e+00 2.189135788e+00 2.54 1.796200803e+00 1.796200803e+00 2.56 1.445803354e+00 1.445803354e+00 2.58 1.134007316e+00 1.134007316e+00 2.60 8.570939681e-01 8.570939681e-01 2.62 6.349355817e-01 6.349355817e-01 2.64 4.836879356e-01 4.836879356e-01 2.66 3.910110270e-01 3.910110270e-01 2.68 3.460228131e-01 3.460228131e-01 2.70 3.392890358e-01 3.392890358e-01 2.72 3.626702333e-01 3.626702333e-01 2.74 4.091816620e-01 4.091816620e-01 2.76 4.728651635e-01 4.728651635e-01 2.78 5.486726893e-01 5.486726893e-01 2.80 6.323603058e-01 6.323603058e-01 2.82 7.203920639e-01 7.203920639e-01 2.84 8.098532131e-01 8.098532131e-01 2.86 8.983717606e-01 8.983717606e-01 2.88 9.840479482e-01 9.840479482e-01 2.90 1.065391017e+00 1.065391017e+00 2.92 1.141262508e+00 1.141262508e+00 2.94 1.210825748e+00 1.210825748e+00 2.96 1.273500878e+00 1.273500878e+00 2.98 1.328924939e+00 1.328924939e+00 3.00 1.376916628e+00 1.376916628e+00 3.02 1.417445226e+00 1.417445226e+00 3.04 1.450603323e+00 1.450603323e+00 3.06 1.476583006e+00 1.476583006e+00 3.08 1.495655116e+00 1.495655116e+00 3.10 1.508151295e+00 1.508151295e+00 3.12 1.514448534e+00 1.514448534e+00 3.14 1.514955926e+00 1.514955926e+00 3.16 1.510103428e+00 1.510103428e+00 3.18 1.500332366e+00 1.500332366e+00 3.20 1.486087502e+00 1.486087502e+00 3.22 1.467810486e+00 1.467810486e+00 3.24 1.445934498e+00 1.445934498e+00 3.26 1.420879963e+00 1.420879963e+00 3.28 1.393051171e+00 1.393051171e+00 3.30 1.362833705e+00 1.362833705e+00 3.32 1.330592549e+00 1.330592549e+00 3.34 1.296670780e+00 1.296670780e+00 3.36 1.261388771e+00 1.261388771e+00 3.38 1.225043808e+00 1.225043808e+00 3.40 1.187910052e+00 1.187910052e+00 3.42 1.150238808e+00 1.150238808e+00 3.44 1.112259018e+00 1.112259018e+00 3.46 1.074177948e+00 1.074177948e+00 3.48 1.036182026e+00 1.036182026e+00 3.50 9.984377870e-01 9.984377870e-01 3.52 9.610929103e-01 9.610929103e-01 3.54 9.242773064e-01 9.242773064e-01 3.56 8.881042396e-01 8.881042396e-01 3.58 8.526714704e-01 8.526714704e-01 3.60 8.180623951e-01 8.180623951e-01 3.62 7.843471738e-01 7.843471738e-01 3.64 7.515838398e-01 7.515838398e-01 3.66 7.198193745e-01 7.198193745e-01 3.68 6.890907498e-01 6.890907498e-01 3.70 6.594259300e-01 6.594259300e-01 3.72 6.308448290e-01 6.308448290e-01 3.74 6.033602257e-01 6.033602257e-01 3.76 5.769786339e-01 5.769786339e-01 3.78 5.517011287e-01 5.517011287e-01 3.80 5.275241331e-01 5.275241331e-01 3.82 5.044401659e-01 5.044401659e-01 3.84 4.824385569e-01 4.824385569e-01 3.86 4.615061359e-01 4.615061359e-01 3.88 4.416279021e-01 4.416279021e-01 3.90 4.227876859e-01 4.227876859e-01 3.92 4.049688171e-01 4.049688171e-01 3.94 3.881548165e-01 3.881548165e-01 3.96 3.723301409e-01 3.723301409e-01 3.98 3.574810183e-01 3.574810183e-01 4.00 3.435966133e-01 3.435966133e-01 4.02 3.306706918e-01 3.306706918e-01 4.04 3.187031391e-01 3.187031391e-01 4.06 3.077018772e-01 3.077018772e-01 4.08 2.976857417e-01 2.976857417e-01 4.10 2.886889622e-01 2.886889622e-01 4.12 2.807684647e-01 2.807684647e-01 4.14 2.740164737e-01 2.740164737e-01 4.16 2.685839199e-01 2.685839199e-01 4.18 2.647284313e-01 2.647284313e-01 4.20 2.629275374e-01 2.629275374e-01 4.22 2.642110738e-01 2.642110738e-01 4.24 2.716399361e-01 2.716399361e-01 4.26 3.191759291e-01 3.191759291e-01 4.28 3.149652486e-01 3.149652486e-01 4.30 3.072721700e-01 3.072721700e-01 4.32 2.988704479e-01 2.988704479e-01 4.34 2.902779881e-01 2.902779881e-01 4.36 2.817037179e-01 2.817037179e-01 4.38 2.732536370e-01 2.732536370e-01 4.40 2.649877530e-01 2.649877530e-01 4.42 2.569419068e-01 2.569419068e-01 4.44 2.491378505e-01 2.491378505e-01 4.46 2.415885107e-01 2.415885107e-01 4.48 2.343009907e-01 2.343009907e-01 4.50 2.272784026e-01 2.272784026e-01 4.52 2.205210432e-01 2.205210432e-01 4.54 2.140271834e-01 2.140271834e-01 4.56 2.077936146e-01 2.077936146e-01 4.58 2.018160392e-01 2.018160392e-01 4.60 1.960893552e-01 1.960893552e-01 4.62 1.906078692e-01 1.906078692e-01 4.64 1.853654572e-01 1.853654572e-01 4.66 1.803556883e-01 1.803556883e-01 4.68 1.755719213e-01 1.755719213e-01 4.70 1.710073804e-01 1.710073804e-01 4.72 1.666552151e-01 1.666552151e-01 4.74 1.625085481e-01 1.625085481e-01 4.76 1.585605137e-01 1.585605137e-01 4.78 1.548042886e-01 1.548042886e-01 4.80 1.512331166e-01 1.512331166e-01 4.82 1.478403288e-01 1.478403288e-01 4.84 1.446193592e-01 1.446193592e-01 4.86 1.415637582e-01 1.415637582e-01 4.88 1.386672023e-01 1.386672023e-01 4.90 1.359235022e-01 1.359235022e-01 4.92 1.328108928e-01 1.328108928e-01 4.94 1.229212129e-01 1.229212129e-01 4.96 9.187380008e-02 9.187380008e-02 4.98 3.472380674e-02 3.472380674e-02 5.00 -4.477691608e-23 -4.476982924e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00