# 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 = AgAlFe2 # 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 1.750041480e+02 1.750041480e+02 1.30 1.608123678e+02 1.608123678e+02 1.32 1.477518958e+02 1.477518958e+02 1.34 1.357248303e+02 1.357248303e+02 1.36 1.246442211e+02 1.246442211e+02 1.38 1.144332496e+02 1.144332496e+02 1.40 1.050233446e+02 1.050233446e+02 1.42 9.635198933e+01 9.635198933e+01 1.44 8.836100322e+01 8.836100322e+01 1.46 8.099576629e+01 8.099576629e+01 1.48 7.420551823e+01 7.420551823e+01 1.50 6.794418163e+01 6.794418163e+01 1.52 6.217065126e+01 6.217065126e+01 1.54 5.684804626e+01 5.684804626e+01 1.56 5.194247535e+01 5.194247535e+01 1.58 4.742210367e+01 4.742210367e+01 1.60 4.325658417e+01 4.325658417e+01 1.62 3.941726752e+01 3.941726752e+01 1.64 3.587821226e+01 3.587821226e+01 1.66 3.261666905e+01 3.261666905e+01 1.68 2.961072917e+01 2.961072917e+01 1.70 2.683923186e+01 2.683923186e+01 1.72 2.428341857e+01 2.428341857e+01 1.74 2.192673455e+01 2.192673455e+01 1.76 1.975437284e+01 1.975437284e+01 1.78 1.775281608e+01 1.775281608e+01 1.80 1.590956328e+01 1.590956328e+01 1.82 1.421303962e+01 1.421303962e+01 1.84 1.265257374e+01 1.265257374e+01 1.86 1.121833974e+01 1.121833974e+01 1.88 9.901229720e+00 9.901229720e+00 1.90 8.692675075e+00 8.692675075e+00 1.92 7.584458763e+00 7.584458763e+00 1.94 6.568570350e+00 6.568570350e+00 1.96 5.637152010e+00 5.637152010e+00 1.98 4.782560280e+00 4.782560280e+00 2.00 3.997528234e+00 3.997528234e+00 2.02 3.275372871e+00 3.275372871e+00 2.04 2.610171090e+00 2.610171090e+00 2.06 1.996839857e+00 1.996839857e+00 2.08 1.431100188e+00 1.431100188e+00 2.10 9.093526579e-01 9.093526579e-01 2.12 4.285154193e-01 4.285154193e-01 2.14 -1.412965068e-02 -1.412965068e-02 2.16 -4.210555991e-01 -4.210555991e-01 2.18 -7.945653964e-01 -7.945653964e-01 2.20 -1.136828298e+00 -1.136828298e+00 2.22 -1.449890263e+00 -1.449890263e+00 2.24 -1.735672378e+00 -1.735672378e+00 2.26 -1.995967403e+00 -1.995967403e+00 2.28 -2.232438932e+00 -2.232438932e+00 2.30 -2.446623567e+00 -2.446623567e+00 2.32 -2.639935539e+00 -2.639935539e+00 2.34 -2.813673376e+00 -2.813673376e+00 2.36 -2.969029332e+00 -2.969029332e+00 2.38 -3.107102076e+00 -3.107102076e+00 2.40 -3.228912927e+00 -3.228912927e+00 2.42 -3.335425018e+00 -3.335425018e+00 2.44 -3.427563918e+00 -3.427563918e+00 2.46 -3.506237506e+00 -3.506237506e+00 2.48 -3.572352643e+00 -3.572352643e+00 2.50 -3.626826707e+00 -3.626826707e+00 2.52 -3.670593408e+00 -3.670593408e+00 2.54 -3.704706148e+00 -3.704706148e+00 2.56 -3.730910977e+00 -3.730910977e+00 2.58 -3.749992045e+00 -3.749992045e+00 2.60 -3.762541394e+00 -3.762541394e+00 2.62 -3.769192958e+00 -3.769192958e+00 2.64 -3.770574228e+00 -3.770574228e+00 2.66 -3.767259694e+00 -3.767259694e+00 2.68 -3.759713251e+00 -3.759713251e+00 2.70 -3.748062059e+00 -3.748062059e+00 2.72 -3.732366968e+00 -3.732366968e+00 2.74 -3.712574630e+00 -3.712574630e+00 2.76 -3.688577119e+00 -3.688577119e+00 2.78 -3.660319806e+00 -3.660319806e+00 2.80 -3.627804643e+00 -3.627804643e+00 2.82 -3.591090731e+00 -3.591090731e+00 2.84 -3.550290994e+00 -3.550290994e+00 2.86 -3.505564934e+00 -3.505564934e+00 2.88 -3.457112985e+00 -3.457112985e+00 2.90 -3.405165705e+00 -3.405165705e+00 2.92 -3.349965556e+00 -3.349965556e+00 2.94 -3.291758786e+00 -3.291758786e+00 2.96 -3.230792209e+00 -3.230792209e+00 2.98 -3.167314438e+00 -3.167314438e+00 3.00 -3.101580378e+00 -3.101580378e+00 3.02 -3.033856503e+00 -3.033856503e+00 3.04 -2.964424030e+00 -2.964424030e+00 3.06 -2.893577664e+00 -2.893577664e+00 3.08 -2.821619053e+00 -2.821619053e+00 3.10 -2.748846470e+00 -2.748846470e+00 3.12 -2.675543692e+00 -2.675543692e+00 3.14 -2.601971803e+00 -2.601971803e+00 3.16 -2.528366458e+00 -2.528366458e+00 3.18 -2.454941400e+00 -2.454941400e+00 3.20 -2.381896677e+00 -2.381896677e+00 3.22 -2.309428755e+00 -2.309428755e+00 3.24 -2.237739386e+00 -2.237739386e+00 3.26 -2.167040723e+00 -2.167040723e+00 3.28 -2.097555356e+00 -2.097555356e+00 3.30 -2.029511248e+00 -2.029511248e+00 3.32 -1.963132653e+00 -1.963132653e+00 3.34 -1.898628811e+00 -1.898628811e+00 3.36 -1.836182498e+00 -1.836182498e+00 3.38 -1.775940300e+00 -1.775940300e+00 3.40 -1.718005990e+00 -1.718005990e+00 3.42 -1.662437675e+00 -1.662437675e+00 3.44 -1.609248661e+00 -1.609248661e+00 3.46 -1.558411485e+00 -1.558411485e+00 3.48 -1.509864164e+00 -1.509864164e+00 3.50 -1.463517641e+00 -1.463517641e+00 3.52 -1.419263492e+00 -1.419263492e+00 3.54 -1.376981176e+00 -1.376981176e+00 3.56 -1.336544332e+00 -1.336544332e+00 3.58 -1.297825898e+00 -1.297825898e+00 3.60 -1.260701993e+00 -1.260701993e+00 3.62 -1.225054640e+00 -1.225054640e+00 3.64 -1.190773495e+00 -1.190773495e+00 3.66 -1.157756766e+00 -1.157756766e+00 3.68 -1.125911507e+00 -1.125911507e+00 3.70 -1.095153463e+00 -1.095153463e+00 3.72 -1.065406615e+00 -1.065406615e+00 3.74 -1.036602520e+00 -1.036602520e+00 3.76 -1.008679565e+00 -1.008679565e+00 3.78 -9.815821620e-01 -9.815821620e-01 3.80 -9.552599614e-01 -9.552599614e-01 3.82 -9.296670892e-01 -9.296670892e-01 3.84 -9.047614386e-01 -9.047614386e-01 3.86 -8.805040226e-01 -8.805040226e-01 3.88 -8.568583944e-01 -8.568583944e-01 3.90 -8.337901389e-01 -8.337901389e-01 3.92 -8.112664347e-01 -8.112664347e-01 3.94 -7.892557110e-01 -7.892557110e-01 3.96 -7.677273470e-01 -7.677273470e-01 3.98 -7.466514991e-01 -7.466514991e-01 4.00 -7.259990039e-01 -7.259990039e-01 4.02 -7.057413938e-01 -7.057413938e-01 4.04 -6.858510339e-01 -6.858510339e-01 4.06 -6.663013933e-01 -6.663013933e-01 4.08 -6.470674629e-01 -6.470674629e-01 4.10 -6.281263136e-01 -6.281263136e-01 4.12 -6.094578621e-01 -6.094578621e-01 4.14 -5.910456373e-01 -5.910456373e-01 4.16 -5.728777599e-01 -5.728777599e-01 4.18 -5.549478678e-01 -5.549478678e-01 4.20 -5.372559693e-01 -5.372559693e-01 4.22 -5.198090869e-01 -5.198090869e-01 4.24 -5.026215532e-01 -5.026215532e-01 4.26 -4.857148272e-01 -4.857148272e-01 4.28 -4.691167309e-01 -4.691167309e-01 4.30 -4.528600699e-01 -4.528600699e-01 4.32 -4.369806745e-01 -4.369806745e-01 4.34 -4.215150054e-01 -4.215150054e-01 4.36 -4.064975448e-01 -4.064975448e-01 4.38 -3.919582325e-01 -3.919582325e-01 4.40 -3.779202423e-01 -3.779202423e-01 4.42 -3.643983112e-01 -3.643983112e-01 4.44 -3.513977625e-01 -3.513977625e-01 4.46 -3.389142160e-01 -3.389142160e-01 4.48 -3.269338933e-01 -3.269338933e-01 4.50 -3.154351375e-01 -3.154351375e-01 4.52 -3.043893382e-01 -3.043893382e-01 4.54 -2.937623854e-01 -2.937623854e-01 4.56 -2.835162153e-01 -2.835162153e-01 4.58 -2.736102606e-01 -2.736102606e-01 4.60 -2.640027314e-01 -2.640027314e-01 4.62 -2.546515291e-01 -2.546515291e-01 4.64 -2.455153769e-01 -2.455153769e-01 4.66 -2.365548468e-01 -2.365548468e-01 4.68 -2.277325009e-01 -2.277325009e-01 4.70 -2.190134982e-01 -2.190134982e-01 4.72 -2.103661616e-01 -2.103661616e-01 4.74 -2.017625371e-01 -2.017625371e-01 4.76 -1.931789760e-01 -1.931789760e-01 4.78 -1.845967468e-01 -1.845967468e-01 4.80 -1.760026649e-01 -1.760026649e-01 4.82 -1.673897479e-01 -1.673897479e-01 4.84 -1.587577504e-01 -1.587577504e-01 4.86 -1.501136471e-01 -1.501136471e-01 4.88 -1.414718840e-01 -1.414718840e-01 4.90 -1.328543620e-01 -1.328543620e-01 4.92 -1.242900722e-01 -1.242900722e-01 4.94 -1.158143352e-01 -1.158143352e-01 4.96 -1.074676292e-01 -1.074676292e-01 4.98 -9.929403576e-02 -9.929403576e-02 5.00 -9.133938119e-02 -9.133938119e-02 5.02 -8.364919546e-02 -8.364919546e-02 5.04 -7.626664151e-02 -7.626664151e-02 5.06 -6.923058031e-02 -6.923058031e-02 5.08 -6.257392591e-02 -6.257392591e-02 5.10 -5.632241265e-02 -5.632241265e-02 5.12 -5.049384860e-02 -5.049384860e-02 5.14 -4.509787468e-02 -4.509787468e-02 5.16 -4.013619665e-02 -4.013619665e-02 5.18 -3.560321507e-02 -3.560321507e-02 5.20 -3.148695283e-02 -3.148695283e-02 5.22 -2.777016770e-02 -2.777016770e-02 5.24 -2.443153846e-02 -2.443153846e-02 5.26 -2.144684774e-02 -2.144684774e-02 5.28 -1.879007673e-02 -1.879007673e-02 5.30 -1.643434180e-02 -1.643434180e-02 5.32 -1.435210161e-02 -1.435210161e-02 5.34 -1.251730648e-02 -1.251730648e-02 5.36 -1.090520968e-02 -1.090520968e-02 5.38 -9.492291755e-03 -9.492291755e-03 5.40 -8.256564657e-03 -8.256564657e-03 5.42 -7.177745045e-03 -7.177745045e-03 5.44 -6.237326544e-03 -6.237326544e-03 5.46 -5.418577194e-03 -5.418577194e-03 5.48 -4.706483840e-03 -4.706483840e-03 5.50 -4.087661089e-03 -4.087661089e-03 5.52 -3.550238505e-03 -3.550238505e-03 5.54 -3.083736433e-03 -3.083736433e-03 5.56 -2.678938038e-03 -2.678938038e-03 5.58 -2.327762910e-03 -2.327762910e-03 5.60 -2.023145839e-03 -2.023145839e-03 5.62 -1.758923054e-03 -1.758923054e-03 5.64 -1.529727182e-03 -1.529727182e-03 5.66 -1.330891512e-03 -1.330891512e-03 5.68 -1.158363622e-03 -1.158363622e-03 5.70 -1.008628081e-03 -1.008628081e-03 5.72 -8.786377544e-04 -8.786377544e-04 5.74 -7.657530684e-04 -7.657530684e-04 5.76 -6.676885720e-04 -6.676885720e-04 5.78 -5.824660864e-04 -5.824660864e-04 5.80 -5.083737611e-04 -5.083737611e-04 5.82 -4.439303840e-04 -4.439303840e-04 5.84 -3.878543372e-04 -3.878543372e-04 5.86 -3.390366418e-04 -3.390366418e-04 5.88 -2.965175861e-04 -2.965175861e-04 5.90 -2.594664850e-04 -2.594664850e-04 5.92 -2.271641682e-04 -2.271641682e-04 5.94 -1.989878385e-04 -1.989878385e-04 5.96 -1.743979889e-04 -1.743979889e-04 5.98 -1.529271028e-04 -1.529271028e-04 6.00 -1.341698960e-04 -1.341698960e-04