# 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 = MoPbW2 # 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 4.884724981e+02 4.884724981e+02 1.30 4.538180626e+02 4.538180626e+02 1.32 4.217082264e+02 4.217082264e+02 1.34 3.919375178e+02 3.919375178e+02 1.36 3.643192063e+02 3.643192063e+02 1.38 3.386821474e+02 3.386821474e+02 1.40 3.148694385e+02 3.148694385e+02 1.42 2.927377896e+02 2.927377896e+02 1.44 2.721566022e+02 2.721566022e+02 1.46 2.530066928e+02 2.530066928e+02 1.48 2.351792144e+02 2.351792144e+02 1.50 2.185751081e+02 2.185751081e+02 1.52 2.031049031e+02 2.031049031e+02 1.54 1.886883539e+02 1.886883539e+02 1.56 1.752535319e+02 1.752535319e+02 1.58 1.627353985e+02 1.627353985e+02 1.60 1.510741486e+02 1.510741486e+02 1.62 1.402137211e+02 1.402137211e+02 1.64 1.301007295e+02 1.301007295e+02 1.66 1.206839376e+02 1.206839376e+02 1.68 1.119141813e+02 1.119141813e+02 1.70 1.037445965e+02 1.037445965e+02 1.72 9.613096397e+01 9.613096397e+01 1.74 8.903207139e+01 8.903207139e+01 1.76 8.241001115e+01 8.241001115e+01 1.78 7.623036398e+01 7.623036398e+01 1.80 7.046221270e+01 7.046221270e+01 1.82 6.507796148e+01 6.507796148e+01 1.84 6.005293897e+01 6.005293897e+01 1.86 5.536484561e+01 5.536484561e+01 1.88 5.099361333e+01 5.099361333e+01 1.90 4.692098198e+01 4.692098198e+01 1.92 4.312873156e+01 4.312873156e+01 1.94 3.960193939e+01 3.960193939e+01 1.96 3.632875986e+01 3.632875986e+01 1.98 3.329247073e+01 3.329247073e+01 2.00 3.047618533e+01 3.047618533e+01 2.02 2.786382992e+01 2.786382992e+01 2.04 2.544009211e+01 2.544009211e+01 2.06 2.319037172e+01 2.319037172e+01 2.08 2.110075986e+01 2.110075986e+01 2.10 1.915806948e+01 1.915806948e+01 2.12 1.734992346e+01 1.734992346e+01 2.14 1.566488045e+01 1.566488045e+01 2.16 1.409256657e+01 1.409256657e+01 2.18 1.262376730e+01 1.262376730e+01 2.20 1.125044121e+01 1.125044121e+01 2.22 9.965652160e+00 9.965652160e+00 2.24 8.763430532e+00 8.763430532e+00 2.26 7.638597086e+00 7.638597086e+00 2.28 6.586578850e+00 6.586578850e+00 2.30 5.603250542e+00 5.603250542e+00 2.32 4.684799054e+00 4.684799054e+00 2.34 3.827637750e+00 3.827637750e+00 2.36 3.028344615e+00 3.028344615e+00 2.38 2.283634567e+00 2.283634567e+00 2.40 1.590351686e+00 1.590351686e+00 2.42 9.454758083e-01 9.454758083e-01 2.44 3.461346972e-01 3.461346972e-01 2.46 -2.103809715e-01 -2.103809715e-01 2.48 -7.266060837e-01 -7.266060837e-01 2.50 -1.204894528e+00 -1.204894528e+00 2.52 -1.647418745e+00 -1.647418745e+00 2.54 -2.056098618e+00 -2.056098618e+00 2.56 -2.432689830e+00 -2.432689830e+00 2.58 -2.779016591e+00 -2.779016591e+00 2.60 -3.096755045e+00 -3.096755045e+00 2.62 -3.387449975e+00 -3.387449975e+00 2.64 -3.652542467e+00 -3.652542467e+00 2.66 -3.893390189e+00 -3.893390189e+00 2.68 -4.111292443e+00 -4.111292443e+00 2.70 -4.307484177e+00 -4.307484177e+00 2.72 -4.482805253e+00 -4.482805253e+00 2.74 -4.637829212e+00 -4.637829212e+00 2.76 -4.773173989e+00 -4.773173989e+00 2.78 -4.889400423e+00 -4.889400423e+00 2.80 -4.987267533e+00 -4.987267533e+00 2.82 -5.067586994e+00 -5.067586994e+00 2.84 -5.131155743e+00 -5.131155743e+00 2.86 -5.178755843e+00 -5.178755843e+00 2.88 -5.211161023e+00 -5.211161023e+00 2.90 -5.229148733e+00 -5.229148733e+00 2.92 -5.233515276e+00 -5.233515276e+00 2.94 -5.225069654e+00 -5.225069654e+00 2.96 -5.204518936e+00 -5.204518936e+00 2.98 -5.172581185e+00 -5.172581185e+00 3.00 -5.130048291e+00 -5.130048291e+00 3.02 -5.077763912e+00 -5.077763912e+00 3.04 -5.016592683e+00 -5.016592683e+00 3.06 -4.947388261e+00 -4.947388261e+00 3.08 -4.870955737e+00 -4.870955737e+00 3.10 -4.788025642e+00 -4.788025642e+00 3.12 -4.699232157e+00 -4.699232157e+00 3.14 -4.605107054e+00 -4.605107054e+00 3.16 -4.506073559e+00 -4.506073559e+00 3.18 -4.402459126e+00 -4.402459126e+00 3.20 -4.294508876e+00 -4.294508876e+00 3.22 -4.182404370e+00 -4.182404370e+00 3.24 -4.066285106e+00 -4.066285106e+00 3.26 -3.946271856e+00 -3.946271856e+00 3.28 -3.822491273e+00 -3.822491273e+00 3.30 -3.695117597e+00 -3.695117597e+00 3.32 -3.564423702e+00 -3.564423702e+00 3.34 -3.430552973e+00 -3.430552973e+00 3.36 -3.293744463e+00 -3.293744463e+00 3.38 -3.154385259e+00 -3.154385259e+00 3.40 -3.012984239e+00 -3.012984239e+00 3.42 -2.870123857e+00 -2.870123857e+00 3.44 -2.726532093e+00 -2.726532093e+00 3.46 -2.583074600e+00 -2.583074600e+00 3.48 -2.440718804e+00 -2.440718804e+00 3.50 -2.300488670e+00 -2.300488670e+00 3.52 -2.163413622e+00 -2.163413622e+00 3.54 -2.030476451e+00 -2.030476451e+00 3.56 -1.902565353e+00 -1.902565353e+00 3.58 -1.780434674e+00 -1.780434674e+00 3.60 -1.664677644e+00 -1.664677644e+00 3.62 -1.555712571e+00 -1.555712571e+00 3.64 -1.453782183e+00 -1.453782183e+00 3.66 -1.358964238e+00 -1.358964238e+00 3.68 -1.271190551e+00 -1.271190551e+00 3.70 -1.190271196e+00 -1.190271196e+00 3.72 -1.115920787e+00 -1.115920787e+00 3.74 -1.047784296e+00 -1.047784296e+00 3.76 -9.854605994e-01 -9.854605994e-01 3.78 -9.285227115e-01 -9.285227115e-01 3.80 -8.765343272e-01 -8.765343272e-01 3.82 -8.290627573e-01 -8.290627573e-01 3.84 -7.856886323e-01 -7.856886323e-01 3.86 -7.460128587e-01 -7.460128587e-01 3.88 -7.096613157e-01 -7.096613157e-01 3.90 -6.762877261e-01 -6.762877261e-01 3.92 -6.455745730e-01 -6.455745730e-01 3.94 -6.172354526e-01 -6.172354526e-01 3.96 -5.910111677e-01 -5.910111677e-01 3.98 -5.666707752e-01 -5.666707752e-01 4.00 -5.440092364e-01 -5.440092364e-01 4.02 -5.228454206e-01 -5.228454206e-01 4.04 -5.030199627e-01 -5.030199627e-01 4.06 -4.843930717e-01 -4.843930717e-01 4.08 -4.668424023e-01 -4.668424023e-01 4.10 -4.502595376e-01 -4.502595376e-01 4.12 -4.345536351e-01 -4.345536351e-01 4.14 -4.196416579e-01 -4.196416579e-01 4.16 -4.054529293e-01 -4.054529293e-01 4.18 -3.919254138e-01 -3.919254138e-01 4.20 -3.790046607e-01 -3.790046607e-01 4.22 -3.666428315e-01 -3.666428315e-01 4.24 -3.547978256e-01 -3.547978256e-01 4.26 -3.434325059e-01 -3.434325059e-01 4.28 -3.325140218e-01 -3.325140218e-01 4.30 -3.220132203e-01 -3.220132203e-01 4.32 -3.119041376e-01 -3.119041376e-01 4.34 -3.021635608e-01 -3.021635608e-01 4.36 -2.927706517e-01 -2.927706517e-01 4.38 -2.837066247e-01 -2.837066247e-01 4.40 -2.749544698e-01 -2.749544698e-01 4.42 -2.664987164e-01 -2.664987164e-01 4.44 -2.583252305e-01 -2.583252305e-01 4.46 -2.504210414e-01 -2.504210414e-01 4.48 -2.427741925e-01 -2.427741925e-01 4.50 -2.353736143e-01 -2.353736143e-01 4.52 -2.282090137e-01 -2.282090137e-01 4.54 -2.212707804e-01 -2.212707804e-01 4.56 -2.145499051e-01 -2.145499051e-01 4.58 -2.080379090e-01 -2.080379090e-01 4.60 -2.017267828e-01 -2.017267828e-01 4.62 -1.956089335e-01 -1.956089335e-01 4.64 -1.896771386e-01 -1.896771386e-01 4.66 -1.839245054e-01 -1.839245054e-01 4.68 -1.783444360e-01 -1.783444360e-01 4.70 -1.729305964e-01 -1.729305964e-01 4.72 -1.676768895e-01 -1.676768895e-01 4.74 -1.625774321e-01 -1.625774321e-01 4.76 -1.576265342e-01 -1.576265342e-01 4.78 -1.528186823e-01 -1.528186823e-01 4.80 -1.481477294e-01 -1.481477294e-01 4.82 -1.436101935e-01 -1.436101935e-01 4.84 -1.392000725e-01 -1.392000725e-01 4.86 -1.349124492e-01 -1.349124492e-01 4.88 -1.307425417e-01 -1.307425417e-01 4.90 -1.266857057e-01 -1.266857057e-01 4.92 -1.227374404e-01 -1.227374404e-01 4.94 -1.188933991e-01 -1.188933991e-01 4.96 -1.151494041e-01 -1.151494041e-01 4.98 -1.115014668e-01 -1.115014668e-01 5.00 -1.079458121e-01 -1.079458121e-01 5.02 -1.044789078e-01 -1.044789078e-01 5.04 -1.010974975e-01 -1.010974975e-01 5.06 -9.779863602e-02 -9.779863602e-02 5.08 -9.457972457e-02 -9.457972457e-02 5.10 -9.143854625e-02 -9.143854625e-02 5.12 -8.837329613e-02 -8.837329613e-02 5.14 -8.538260298e-02 -8.538260298e-02 5.16 -8.246553888e-02 -8.246553888e-02 5.18 -7.962161296e-02 -7.962161296e-02 5.20 -7.685074589e-02 -7.685074589e-02 5.22 -7.415322302e-02 -7.415322302e-02 5.24 -7.152962550e-02 -7.152962550e-02 5.26 -6.898072469e-02 -6.898072469e-02 5.28 -6.650731251e-02 -6.650731251e-02 5.30 -6.411028627e-02 -6.411028627e-02 5.32 -6.179042543e-02 -6.179042543e-02 5.34 -5.954825172e-02 -5.954825172e-02 5.36 -5.738392873e-02 -5.738392873e-02 5.38 -5.529718291e-02 -5.529718291e-02 5.40 -5.328725125e-02 -5.328725125e-02 5.42 -5.135285777e-02 -5.135285777e-02 5.44 -4.949221857e-02 -4.949221857e-02 5.46 -4.770307229e-02 -4.770307229e-02 5.48 -4.598273126e-02 -4.598273126e-02 5.50 -4.432814731e-02 -4.432814731e-02 5.52 -4.273598614e-02 -4.273598614e-02 5.54 -4.120270443e-02 -4.120270443e-02 5.56 -3.972462497e-02 -3.972462497e-02 5.58 -3.829800630e-02 -3.829800630e-02 5.60 -3.691910459e-02 -3.691910459e-02 5.62 -3.558422667e-02 -3.558422667e-02 5.64 -3.428977412e-02 -3.428977412e-02 5.66 -3.303227936e-02 -3.303227936e-02 5.68 -3.180843467e-02 -3.180843467e-02 5.70 -3.061511579e-02 -3.061511579e-02 5.72 -2.944940150e-02 -2.944940150e-02 5.74 -2.830859070e-02 -2.830859070e-02 5.76 -2.719021826e-02 -2.719021826e-02 5.78 -2.609207065e-02 -2.609207065e-02 5.80 -2.501220195e-02 -2.501220195e-02 5.82 -2.394895064e-02 -2.394895064e-02 5.84 -2.290095695e-02 -2.290095695e-02 5.86 -2.186718027e-02 -2.186718027e-02 5.88 -2.084691581e-02 -2.084691581e-02 5.90 -1.983980901e-02 -1.983980901e-02 5.92 -1.884586617e-02 -1.884586617e-02 5.94 -1.786544534e-02 -1.786544534e-02 5.96 -1.689920278e-02 -1.689920278e-02 5.98 -1.594823184e-02 -1.594823184e-02 6.00 -1.501396912e-02 -1.501396912e-02