# 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 = Fe2MgMo # 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 2.949207202e+02 2.949207202e+02 1.30 2.709401537e+02 2.709401537e+02 1.32 2.489031385e+02 2.489031385e+02 1.34 2.286367958e+02 2.286367958e+02 1.36 2.099841573e+02 2.099841573e+02 1.38 1.928039956e+02 1.928039956e+02 1.40 1.769704922e+02 1.769704922e+02 1.42 1.623723660e+02 1.623723660e+02 1.44 1.489113375e+02 1.489113375e+02 1.46 1.365001488e+02 1.365001488e+02 1.48 1.250604860e+02 1.250604860e+02 1.50 1.145210661e+02 1.145210661e+02 1.52 1.048160692e+02 1.048160692e+02 1.54 9.588402863e+01 9.588402863e+01 1.56 8.766719877e+01 8.766719877e+01 1.58 8.011129082e+01 8.011129082e+01 1.60 7.316537372e+01 7.316537372e+01 1.62 6.678177804e+01 6.678177804e+01 1.64 6.091594741e+01 6.091594741e+01 1.66 5.552748238e+01 5.552748238e+01 1.68 5.057967743e+01 5.057967743e+01 1.70 4.603579715e+01 4.603579715e+01 1.72 4.186151852e+01 4.186151852e+01 1.74 3.802509895e+01 3.802509895e+01 1.76 3.449719744e+01 3.449719744e+01 1.78 3.125096245e+01 3.125096245e+01 1.80 2.826211154e+01 2.826211154e+01 1.82 2.550895079e+01 2.550895079e+01 1.84 2.297229806e+01 2.297229806e+01 1.86 2.063530344e+01 2.063530344e+01 1.88 1.848315642e+01 1.848315642e+01 1.90 1.650270671e+01 1.650270671e+01 1.92 1.468205049e+01 1.468205049e+01 1.94 1.301015274e+01 1.301015274e+01 1.96 1.147655905e+01 1.147655905e+01 1.98 1.007122494e+01 1.007122494e+01 2.00 8.784453018e+00 8.784453018e+00 2.02 7.606908888e+00 7.606908888e+00 2.04 6.529681090e+00 6.529681090e+00 2.06 5.544351670e+00 5.544351670e+00 2.08 4.643053316e+00 4.643053316e+00 2.10 3.818504344e+00 3.818504344e+00 2.12 3.064023954e+00 3.064023954e+00 2.14 2.373533940e+00 2.373533940e+00 2.16 1.741550454e+00 1.741550454e+00 2.18 1.163161548e+00 1.163161548e+00 2.20 6.339889455e-01 6.339889455e-01 2.22 1.501331957e-01 1.501331957e-01 2.24 -2.918892076e-01 -2.918892076e-01 2.26 -6.952089824e-01 -6.952089824e-01 2.28 -1.062637516e+00 -1.062637516e+00 2.30 -1.396591861e+00 -1.396591861e+00 2.32 -1.699639530e+00 -1.699639530e+00 2.34 -1.974186033e+00 -1.974186033e+00 2.36 -2.222419367e+00 -2.222419367e+00 2.38 -2.446344392e+00 -2.446344392e+00 2.40 -2.647808213e+00 -2.647808213e+00 2.42 -2.828491673e+00 -2.828491673e+00 2.44 -2.989718805e+00 -2.989718805e+00 2.46 -3.132655535e+00 -3.132655535e+00 2.48 -3.258454852e+00 -3.258454852e+00 2.50 -3.368245457e+00 -3.368245457e+00 2.52 -3.463121753e+00 -3.463121753e+00 2.54 -3.544135851e+00 -3.544135851e+00 2.56 -3.612291169e+00 -3.612291169e+00 2.58 -3.668537512e+00 -3.668537512e+00 2.60 -3.713767679e+00 -3.713767679e+00 2.62 -3.748818617e+00 -3.748818617e+00 2.64 -3.774469944e+00 -3.774469944e+00 2.66 -3.791429415e+00 -3.791429415e+00 2.68 -3.800352319e+00 -3.800352319e+00 2.70 -3.801845176e+00 -3.801845176e+00 2.72 -3.796469574e+00 -3.796469574e+00 2.74 -3.784746711e+00 -3.784746711e+00 2.76 -3.767162297e+00 -3.767162297e+00 2.78 -3.744099155e+00 -3.744099155e+00 2.80 -3.715653772e+00 -3.715653772e+00 2.82 -3.681900960e+00 -3.681900960e+00 2.84 -3.642972770e+00 -3.642972770e+00 2.86 -3.599055957e+00 -3.599055957e+00 2.88 -3.550386889e+00 -3.550386889e+00 2.90 -3.497243316e+00 -3.497243316e+00 2.92 -3.439933360e+00 -3.439933360e+00 2.94 -3.378782661e+00 -3.378782661e+00 2.96 -3.314120941e+00 -3.314120941e+00 2.98 -3.246269296e+00 -3.246269296e+00 3.00 -3.175562226e+00 -3.175562226e+00 3.02 -3.102249201e+00 -3.102249201e+00 3.04 -3.026452498e+00 -3.026452498e+00 3.06 -2.948301031e+00 -2.948301031e+00 3.08 -2.867872890e+00 -2.867872890e+00 3.10 -2.785016773e+00 -2.785016773e+00 3.12 -2.699610133e+00 -2.699610133e+00 3.14 -2.611641462e+00 -2.611641462e+00 3.16 -2.521191995e+00 -2.521191995e+00 3.18 -2.428424271e+00 -2.428424271e+00 3.20 -2.333574023e+00 -2.333574023e+00 3.22 -2.236945497e+00 -2.236945497e+00 3.24 -2.138907985e+00 -2.138907985e+00 3.26 -2.039891447e+00 -2.039891447e+00 3.28 -1.940379485e+00 -1.940379485e+00 3.30 -1.840898646e+00 -1.840898646e+00 3.32 -1.742004119e+00 -1.742004119e+00 3.34 -1.644262764e+00 -1.644262764e+00 3.36 -1.548235135e+00 -1.548235135e+00 3.38 -1.454458256e+00 -1.454458256e+00 3.40 -1.363430509e+00 -1.363430509e+00 3.42 -1.275599903e+00 -1.275599903e+00 3.44 -1.191354596e+00 -1.191354596e+00 3.46 -1.111017072e+00 -1.111017072e+00 3.48 -1.034840166e+00 -1.034840166e+00 3.50 -9.630051279e-01 -9.630051279e-01 3.52 -8.956215155e-01 -8.956215155e-01 3.54 -8.327289511e-01 -8.327289511e-01 3.56 -7.743008476e-01 -7.743008476e-01 3.58 -7.202501010e-01 -7.202501010e-01 3.60 -6.704365628e-01 -6.704365628e-01 3.62 -6.246758984e-01 -6.246758984e-01 3.64 -5.827492802e-01 -5.827492802e-01 3.66 -5.444132991e-01 -5.444132991e-01 3.68 -5.094095080e-01 -5.094095080e-01 3.70 -4.774731146e-01 -4.774731146e-01 3.72 -4.483404899e-01 -4.483404899e-01 3.74 -4.217553072e-01 -4.217553072e-01 3.76 -3.974732446e-01 -3.974732446e-01 3.78 -3.752653669e-01 -3.752653669e-01 3.80 -3.549202502e-01 -3.549202502e-01 3.82 -3.362448468e-01 -3.362448468e-01 3.84 -3.190641545e-01 -3.190641545e-01 3.86 -3.032227510e-01 -3.032227510e-01 3.88 -2.885821483e-01 -2.885821483e-01 3.90 -2.750191879e-01 -2.750191879e-01 3.92 -2.624243880e-01 -2.624243880e-01 3.94 -2.507009590e-01 -2.507009590e-01 3.96 -2.397624224e-01 -2.397624224e-01 3.98 -2.295319590e-01 -2.295319590e-01 4.00 -2.199411352e-01 -2.199411352e-01 4.02 -2.109289871e-01 -2.109289871e-01 4.04 -2.024412530e-01 -2.024412530e-01 4.06 -1.944297108e-01 -1.944297108e-01 4.08 -1.868515858e-01 -1.868515858e-01 4.10 -1.796686403e-01 -1.796686403e-01 4.12 -1.728481841e-01 -1.728481841e-01 4.14 -1.663601774e-01 -1.663601774e-01 4.16 -1.601784834e-01 -1.601784834e-01 4.18 -1.542799936e-01 -1.542799936e-01 4.20 -1.486442465e-01 -1.486442465e-01 4.22 -1.432530841e-01 -1.432530841e-01 4.24 -1.380903474e-01 -1.380903474e-01 4.26 -1.331416086e-01 -1.331416086e-01 4.28 -1.283939382e-01 -1.283939382e-01 4.30 -1.238357022e-01 -1.238357022e-01 4.32 -1.194563896e-01 -1.194563896e-01 4.34 -1.152464630e-01 -1.152464630e-01 4.36 -1.111972307e-01 -1.111972307e-01 4.38 -1.073007376e-01 -1.073007376e-01 4.40 -1.035496729e-01 -1.035496729e-01 4.42 -9.993728986e-02 -9.993728986e-02 4.44 -9.645733860e-02 -9.645733860e-02 4.46 -9.310400775e-02 -9.310400775e-02 4.48 -8.987187489e-02 -8.987187489e-02 4.50 -8.675586419e-02 -8.675586419e-02 4.52 -8.375120905e-02 -8.375120905e-02 4.54 -8.085342068e-02 -8.085342068e-02 4.56 -7.805826108e-02 -7.805826108e-02 4.58 -7.536171928e-02 -7.536171928e-02 4.60 -7.275999070e-02 -7.275999070e-02 4.62 -7.024945911e-02 -7.024945911e-02 4.64 -6.782668080e-02 -6.782668080e-02 4.66 -6.548837064e-02 -6.548837064e-02 4.68 -6.323138974e-02 -6.323138974e-02 4.70 -6.105273445e-02 -6.105273445e-02 4.72 -5.894952661e-02 -5.894952661e-02 4.74 -5.691900467e-02 -5.691900467e-02 4.76 -5.495851577e-02 -5.495851577e-02 4.78 -5.306550850e-02 -5.306550850e-02 4.80 -5.123732058e-02 -5.123732058e-02 4.82 -4.947203223e-02 -4.947203223e-02 4.84 -4.776710157e-02 -4.776710157e-02 4.86 -4.612029994e-02 -4.612029994e-02 4.88 -4.452950045e-02 -4.452950045e-02 4.90 -4.299264588e-02 -4.299264588e-02 4.92 -4.150774243e-02 -4.150774243e-02 4.94 -4.007285611e-02 -4.007285611e-02 4.96 -3.868610958e-02 -3.868610958e-02 4.98 -3.734567857e-02 -3.734567857e-02 5.00 -3.604978942e-02 -3.604978942e-02 5.02 -3.479671686e-02 -3.479671686e-02 5.04 -3.358478213e-02 -3.358478213e-02 5.06 -3.241235174e-02 -3.241235174e-02 5.08 -3.127783684e-02 -3.127783684e-02 5.10 -3.017969343e-02 -3.017969343e-02 5.12 -2.911642347e-02 -2.911642347e-02 5.14 -2.808657707e-02 -2.808657707e-02 5.16 -2.708875597e-02 -2.708875597e-02 5.18 -2.612161832e-02 -2.612161832e-02 5.20 -2.518388496e-02 -2.518388496e-02 5.22 -2.427434706e-02 -2.427434706e-02 5.24 -2.339187520e-02 -2.339187520e-02 5.26 -2.253542947e-02 -2.253542947e-02 5.28 -2.170407014e-02 -2.170407014e-02 5.30 -2.089696829e-02 -2.089696829e-02 5.32 -2.011341526e-02 -2.011341526e-02 5.34 -1.935282904e-02 -1.935282904e-02 5.36 -1.861470814e-02 -1.861470814e-02 5.38 -1.789871413e-02 -1.789871413e-02 5.40 -1.720466325e-02 -1.720466325e-02 5.42 -1.653247720e-02 -1.653247720e-02 5.44 -1.588216146e-02 -1.588216146e-02 5.46 -1.525377710e-02 -1.525377710e-02 5.48 -1.464740752e-02 -1.464740752e-02 5.50 -1.406312249e-02 -1.406312249e-02 5.52 -1.350094243e-02 -1.350094243e-02 5.54 -1.296080601e-02 -1.296080601e-02 5.56 -1.244254400e-02 -1.244254400e-02 5.58 -1.194586133e-02 -1.194586133e-02 5.60 -1.147032858e-02 -1.147032858e-02 5.62 -1.101538300e-02 -1.101538300e-02 5.64 -1.058033777e-02 -1.058033777e-02 5.66 -1.016439808e-02 -1.016439808e-02 5.68 -9.766681466e-03 -9.766681466e-03 5.70 -9.386240497e-03 -9.386240497e-03 5.72 -9.022085459e-03 -9.022085459e-03 5.74 -8.673205658e-03 -8.673205658e-03 5.76 -8.338588112e-03 -8.338588112e-03 5.78 -8.017233066e-03 -8.017233066e-03 5.80 -7.708166162e-03 -7.708166162e-03 5.82 -7.410447428e-03 -7.410447428e-03 5.84 -7.123177470e-03 -7.123177470e-03 5.86 -6.845501397e-03 -6.845501397e-03 5.88 -6.576611047e-03 -6.576611047e-03 5.90 -6.315746064e-03 -6.315746064e-03 5.92 -6.062194365e-03 -6.062194365e-03 5.94 -5.815292424e-03 -5.815292424e-03 5.96 -5.574425775e-03 -5.574425775e-03 5.98 -5.339030003e-03 -5.339030003e-03 6.00 -5.108592454e-03 -5.108592454e-03