# 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 = FeMgMo2 # 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 3.317347932e+02 3.317347932e+02 1.30 3.060824497e+02 3.060824497e+02 1.32 2.824412332e+02 2.824412332e+02 1.34 2.606345311e+02 2.606345311e+02 1.36 2.404996872e+02 2.404996872e+02 1.38 2.218889339e+02 2.218889339e+02 1.40 2.046704600e+02 2.046704600e+02 1.42 1.887285846e+02 1.887285846e+02 1.44 1.739625577e+02 1.739625577e+02 1.46 1.602842705e+02 1.602842705e+02 1.48 1.476156020e+02 1.476156020e+02 1.50 1.358860457e+02 1.358860457e+02 1.52 1.250309165e+02 1.250309165e+02 1.54 1.149901334e+02 1.149901334e+02 1.56 1.057074489e+02 1.057074489e+02 1.58 9.712996369e+01 9.712996369e+01 1.60 8.920778385e+01 8.920778385e+01 1.62 8.189373978e+01 8.189373978e+01 1.64 7.514315077e+01 7.514315077e+01 1.66 6.891364403e+01 6.891364403e+01 1.68 6.316504201e+01 6.316504201e+01 1.70 5.785931557e+01 5.785931557e+01 1.72 5.296340172e+01 5.296340172e+01 1.74 4.844733146e+01 4.844733146e+01 1.76 4.427889697e+01 4.427889697e+01 1.78 4.042801031e+01 4.042801031e+01 1.80 3.686734432e+01 3.686734432e+01 1.82 3.357229875e+01 3.357229875e+01 1.84 3.052110529e+01 3.052110529e+01 1.86 2.769482944e+01 2.769482944e+01 1.88 2.507715149e+01 2.507715149e+01 1.90 2.265393899e+01 2.265393899e+01 1.92 2.041270123e+01 2.041270123e+01 1.94 1.834205351e+01 1.834205351e+01 1.96 1.643129014e+01 1.643129014e+01 1.98 1.467010894e+01 1.467010894e+01 2.00 1.304847244e+01 1.304847244e+01 2.02 1.155656422e+01 1.155656422e+01 2.04 1.018480053e+01 1.018480053e+01 2.06 8.923870116e+00 8.923870116e+00 2.08 7.764790466e+00 7.764790466e+00 2.10 6.698980942e+00 6.698980942e+00 2.12 5.718352520e+00 5.718352520e+00 2.14 4.815405684e+00 4.815405684e+00 2.16 3.983317761e+00 3.983317761e+00 2.18 3.215994495e+00 3.215994495e+00 2.20 2.508071687e+00 2.508071687e+00 2.22 1.854864687e+00 1.854864687e+00 2.24 1.252282206e+00 1.252282206e+00 2.26 6.967244719e-01 6.967244719e-01 2.28 1.849831113e-01 1.849831113e-01 2.30 -2.858433484e-01 -2.858433484e-01 2.32 -7.184186621e-01 -7.184186621e-01 2.34 -1.115216107e+00 -1.115216107e+00 2.36 -1.478552430e+00 -1.478552430e+00 2.38 -1.810607524e+00 -1.810607524e+00 2.40 -2.113424851e+00 -2.113424851e+00 2.42 -2.388664967e+00 -2.388664967e+00 2.44 -2.638282567e+00 -2.638282567e+00 2.46 -2.864271270e+00 -2.864271270e+00 2.48 -3.068445674e+00 -3.068445674e+00 2.50 -3.252453236e+00 -3.252453236e+00 2.52 -3.417784035e+00 -3.417784035e+00 2.54 -3.565779878e+00 -3.565779878e+00 2.56 -3.697616153e+00 -3.697616153e+00 2.58 -3.813991873e+00 -3.813991873e+00 2.60 -3.915329440e+00 -3.915329440e+00 2.62 -4.002054929e+00 -4.002054929e+00 2.64 -4.074599814e+00 -4.074599814e+00 2.66 -4.133397972e+00 -4.133397972e+00 2.68 -4.178886729e+00 -4.178886729e+00 2.70 -4.211507428e+00 -4.211507428e+00 2.72 -4.231706270e+00 -4.231706270e+00 2.74 -4.239935129e+00 -4.239935129e+00 2.76 -4.236652890e+00 -4.236652890e+00 2.78 -4.222328134e+00 -4.222328134e+00 2.80 -4.197446587e+00 -4.197446587e+00 2.82 -4.162516682e+00 -4.162516682e+00 2.84 -4.118076880e+00 -4.118076880e+00 2.86 -4.064714813e+00 -4.064714813e+00 2.88 -4.003080493e+00 -4.003080493e+00 2.90 -3.933896762e+00 -3.933896762e+00 2.92 -3.857964226e+00 -3.857964226e+00 2.94 -3.776157973e+00 -3.776157973e+00 2.96 -3.689414259e+00 -3.689414259e+00 2.98 -3.598671636e+00 -3.598671636e+00 3.00 -3.504786874e+00 -3.504786874e+00 3.02 -3.408586585e+00 -3.408586585e+00 3.04 -3.310843545e+00 -3.310843545e+00 3.06 -3.212241642e+00 -3.212241642e+00 3.08 -3.113349365e+00 -3.113349365e+00 3.10 -3.014607184e+00 -3.014607184e+00 3.12 -2.916326978e+00 -2.916326978e+00 3.14 -2.818704719e+00 -2.818704719e+00 3.16 -2.721838558e+00 -2.721838558e+00 3.18 -2.625755364e+00 -2.625755364e+00 3.20 -2.530436907e+00 -2.530436907e+00 3.22 -2.435844963e+00 -2.435844963e+00 3.24 -2.341942835e+00 -2.341942835e+00 3.26 -2.248729472e+00 -2.248729472e+00 3.28 -2.156226795e+00 -2.156226795e+00 3.30 -2.064416713e+00 -2.064416713e+00 3.32 -1.973325276e+00 -1.973325276e+00 3.34 -1.883028569e+00 -1.883028569e+00 3.36 -1.793601135e+00 -1.793601135e+00 3.38 -1.704974471e+00 -1.704974471e+00 3.40 -1.617119378e+00 -1.617119378e+00 3.42 -1.530107601e+00 -1.530107601e+00 3.44 -1.444114097e+00 -1.444114097e+00 3.46 -1.359411809e+00 -1.359411809e+00 3.48 -1.276356953e+00 -1.276356953e+00 3.50 -1.195365557e+00 -1.195365557e+00 3.52 -1.116883501e+00 -1.116883501e+00 3.54 -1.041353612e+00 -1.041353612e+00 3.56 -9.691838866e-01 -9.691838866e-01 3.58 -9.007205379e-01 -9.007205379e-01 3.60 -8.362284890e-01 -8.362284890e-01 3.62 -7.758805784e-01 -7.758805784e-01 3.64 -7.197553289e-01 -7.197553289e-01 3.66 -6.678420558e-01 -6.678420558e-01 3.68 -6.200514357e-01 -6.200514357e-01 3.70 -5.762294436e-01 -5.762294436e-01 3.72 -5.361727093e-01 -5.361727093e-01 3.74 -4.996437068e-01 -4.996437068e-01 3.76 -4.663846421e-01 -4.663846421e-01 3.78 -4.361293504e-01 -4.361293504e-01 3.80 -4.086128873e-01 -4.086128873e-01 3.82 -3.835787822e-01 -3.835787822e-01 3.84 -3.607841099e-01 -3.607841099e-01 3.86 -3.400026586e-01 -3.400026586e-01 3.88 -3.210265327e-01 -3.210265327e-01 3.90 -3.036665513e-01 -3.036665513e-01 3.92 -2.877516707e-01 -2.877516707e-01 3.94 -2.731285476e-01 -2.731285476e-01 3.96 -2.596594261e-01 -2.596594261e-01 3.98 -2.472214179e-01 -2.472214179e-01 4.00 -2.357050225e-01 -2.357050225e-01 4.02 -2.250128884e-01 -2.250128884e-01 4.04 -2.150587001e-01 -2.150587001e-01 4.06 -2.057660478e-01 -2.057660478e-01 4.08 -1.970665701e-01 -1.970665701e-01 4.10 -1.889011637e-01 -1.889011637e-01 4.12 -1.812192015e-01 -1.812192015e-01 4.14 -1.739747238e-01 -1.739747238e-01 4.16 -1.671276637e-01 -1.671276637e-01 4.18 -1.606427814e-01 -1.606427814e-01 4.20 -1.544890941e-01 -1.544890941e-01 4.22 -1.486393452e-01 -1.486393452e-01 4.24 -1.430695212e-01 -1.430695212e-01 4.26 -1.377584216e-01 -1.377584216e-01 4.28 -1.326872797e-01 -1.326872797e-01 4.30 -1.278394321e-01 -1.278394321e-01 4.32 -1.232000333e-01 -1.232000333e-01 4.34 -1.187558084e-01 -1.187558084e-01 4.36 -1.144948419e-01 -1.144948419e-01 4.38 -1.104063962e-01 -1.104063962e-01 4.40 -1.064807559e-01 -1.064807559e-01 4.42 -1.027090955e-01 -1.027090955e-01 4.44 -9.908336527e-02 -9.908336527e-02 4.46 -9.559619419e-02 -9.559619419e-02 4.48 -9.224080654e-02 -9.224080654e-02 4.50 -8.901095054e-02 -8.901095054e-02 4.52 -8.590083699e-02 -8.590083699e-02 4.54 -8.290508625e-02 -8.290508625e-02 4.56 -8.001868292e-02 -8.001868292e-02 4.58 -7.723693663e-02 -7.723693663e-02 4.60 -7.455544803e-02 -7.455544803e-02 4.62 -7.197007933e-02 -7.197007933e-02 4.64 -6.947692859e-02 -6.947692859e-02 4.66 -6.707230737e-02 -6.707230737e-02 4.68 -6.475272109e-02 -6.475272109e-02 4.70 -6.251485178e-02 -6.251485178e-02 4.72 -6.035554244e-02 -6.035554244e-02 4.74 -5.827178467e-02 -5.827178467e-02 4.76 -5.626070623e-02 -5.626070623e-02 4.78 -5.431956021e-02 -5.431956021e-02 4.80 -5.244550965e-02 -5.244550965e-02 4.82 -5.063647849e-02 -5.063647849e-02 4.84 -4.888978324e-02 -4.888978324e-02 4.86 -4.720305369e-02 -4.720305369e-02 4.88 -4.557405030e-02 -4.557405030e-02 4.90 -4.400061715e-02 -4.400061715e-02 4.92 -4.248067090e-02 -4.248067090e-02 4.94 -4.101219627e-02 -4.101219627e-02 4.96 -3.959324207e-02 -3.959324207e-02 4.98 -3.822191623e-02 -3.822191623e-02 5.00 -3.689638318e-02 -3.689638318e-02 5.02 -3.561486111e-02 -3.561486111e-02 5.04 -3.437561956e-02 -3.437561956e-02 5.06 -3.317697770e-02 -3.317697770e-02 5.08 -3.201730323e-02 -3.201730323e-02 5.10 -3.089501217e-02 -3.089501217e-02 5.12 -2.980856955e-02 -2.980856955e-02 5.14 -2.875649120e-02 -2.875649120e-02 5.16 -2.773734680e-02 -2.773734680e-02 5.18 -2.674976421e-02 -2.674976421e-02 5.20 -2.579243528e-02 -2.579243528e-02 5.22 -2.486412306e-02 -2.486412306e-02 5.24 -2.396367030e-02 -2.396367030e-02 5.26 -2.309000906e-02 -2.309000906e-02 5.28 -2.224217082e-02 -2.224217082e-02 5.30 -2.141929661e-02 -2.141929661e-02 5.32 -2.062064597e-02 -2.062064597e-02 5.34 -1.984560319e-02 -1.984560319e-02 5.36 -1.909364844e-02 -1.909364844e-02 5.38 -1.836441094e-02 -1.836441094e-02 5.40 -1.765766071e-02 -1.765766071e-02 5.42 -1.697327187e-02 -1.697327187e-02 5.44 -1.631120160e-02 -1.631120160e-02 5.46 -1.567146264e-02 -1.567146264e-02 5.48 -1.505409101e-02 -1.505409101e-02 5.50 -1.445911115e-02 -1.445911115e-02 5.52 -1.388650124e-02 -1.388650124e-02 5.54 -1.333616182e-02 -1.333616182e-02 5.56 -1.280789036e-02 -1.280789036e-02 5.58 -1.230136389e-02 -1.230136389e-02 5.60 -1.181613067e-02 -1.181613067e-02 5.62 -1.135161110e-02 -1.135161110e-02 5.64 -1.090710660e-02 -1.090710660e-02 5.66 -1.048181504e-02 -1.048181504e-02 5.68 -1.007485036e-02 -1.007485036e-02 5.70 -9.685264384e-03 -9.685264384e-03 5.72 -9.312068686e-03 -9.312068686e-03 5.74 -8.954255101e-03 -8.954255101e-03 5.76 -8.610813724e-03 -8.610813724e-03 5.78 -8.280747860e-03 -8.280747860e-03 5.80 -7.963085745e-03 -7.963085745e-03 5.82 -7.656889212e-03 -7.656889212e-03 5.84 -7.361259678e-03 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