# 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 = Al2PdW # 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 2.150816367e+02 2.150816367e+02 1.30 1.996116767e+02 1.996116767e+02 1.32 1.852494252e+02 1.852494252e+02 1.34 1.719174784e+02 1.719174784e+02 1.36 1.595458488e+02 1.595458488e+02 1.38 1.480677071e+02 1.480677071e+02 1.40 1.374171662e+02 1.374171662e+02 1.42 1.275294032e+02 1.275294032e+02 1.44 1.183421678e+02 1.183421678e+02 1.46 1.097974287e+02 1.097974287e+02 1.48 1.018424137e+02 1.018424137e+02 1.50 9.442982996e+01 9.442982996e+01 1.52 8.751742254e+01 8.751742254e+01 1.54 8.106725467e+01 8.106725467e+01 1.56 7.504502528e+01 7.504502528e+01 1.58 6.941953583e+01 6.941953583e+01 1.60 6.416229936e+01 6.416229936e+01 1.62 5.924727233e+01 5.924727233e+01 1.64 5.465068967e+01 5.465068967e+01 1.66 5.035095583e+01 5.035095583e+01 1.68 4.632865776e+01 4.632865776e+01 1.70 4.256663519e+01 4.256663519e+01 1.72 3.904869181e+01 3.904869181e+01 1.74 3.576130215e+01 3.576130215e+01 1.76 3.270359023e+01 3.270359023e+01 1.78 2.986284569e+01 2.986284569e+01 1.80 2.722427962e+01 2.722427962e+01 1.82 2.477704478e+01 2.477704478e+01 1.84 2.250807555e+01 2.250807555e+01 1.86 2.040462961e+01 2.040462961e+01 1.88 1.845494834e+01 1.845494834e+01 1.90 1.664822755e+01 1.664822755e+01 1.92 1.497454008e+01 1.497454008e+01 1.94 1.342471275e+01 1.342471275e+01 1.96 1.199018802e+01 1.199018802e+01 1.98 1.066290600e+01 1.066290600e+01 2.00 9.435227004e+00 9.435227004e+00 2.02 8.299894498e+00 8.299894498e+00 2.04 7.250022291e+00 7.250022291e+00 2.06 6.279083456e+00 6.279083456e+00 2.08 5.380890217e+00 5.380890217e+00 2.10 4.549575198e+00 4.549575198e+00 2.12 3.779594352e+00 3.779594352e+00 2.14 3.065762273e+00 3.065762273e+00 2.16 2.403311800e+00 2.403311800e+00 2.18 1.787956116e+00 1.787956116e+00 2.20 1.215929574e+00 1.215929574e+00 2.22 6.839913822e-01 6.839913822e-01 2.24 1.893894202e-01 1.893894202e-01 2.26 -2.702064822e-01 -2.702064822e-01 2.28 -6.967624810e-01 -6.967624810e-01 2.30 -1.091940546e+00 -1.091940546e+00 2.32 -1.457363405e+00 -1.457363405e+00 2.34 -1.794513165e+00 -1.794513165e+00 2.36 -2.104761451e+00 -2.104761451e+00 2.38 -2.389405328e+00 -2.389405328e+00 2.40 -2.649691990e+00 -2.649691990e+00 2.42 -2.886835966e+00 -2.886835966e+00 2.44 -3.102029273e+00 -3.102029273e+00 2.46 -3.296340183e+00 -3.296340183e+00 2.48 -3.470712557e+00 -3.470712557e+00 2.50 -3.626133032e+00 -3.626133032e+00 2.52 -3.763637077e+00 -3.763637077e+00 2.54 -3.884307323e+00 -3.884307323e+00 2.56 -3.989276689e+00 -3.989276689e+00 2.58 -4.079732085e+00 -4.079732085e+00 2.60 -4.156908853e+00 -4.156908853e+00 2.62 -4.222065295e+00 -4.222065295e+00 2.64 -4.276434041e+00 -4.276434041e+00 2.66 -4.321159179e+00 -4.321159179e+00 2.68 -4.357237718e+00 -4.357237718e+00 2.70 -4.385483170e+00 -4.385483170e+00 2.72 -4.406519856e+00 -4.406519856e+00 2.74 -4.420959566e+00 -4.420959566e+00 2.76 -4.429399773e+00 -4.429399773e+00 2.78 -4.431884323e+00 -4.431884323e+00 2.80 -4.428427090e+00 -4.428427090e+00 2.82 -4.419054897e+00 -4.419054897e+00 2.84 -4.403822460e+00 -4.403822460e+00 2.86 -4.382910200e+00 -4.382910200e+00 2.88 -4.357613985e+00 -4.357613985e+00 2.90 -4.328164581e+00 -4.328164581e+00 2.92 -4.294472752e+00 -4.294472752e+00 2.94 -4.256562155e+00 -4.256562155e+00 2.96 -4.214555399e+00 -4.214555399e+00 2.98 -4.168659258e+00 -4.168659258e+00 3.00 -4.119148940e+00 -4.119148940e+00 3.02 -4.066351948e+00 -4.066351948e+00 3.04 -4.010640585e+00 -4.010640585e+00 3.06 -3.952432748e+00 -3.952432748e+00 3.08 -3.892141623e+00 -3.892141623e+00 3.10 -3.830149162e+00 -3.830149162e+00 3.12 -3.766787502e+00 -3.766787502e+00 3.14 -3.702325091e+00 -3.702325091e+00 3.16 -3.636959531e+00 -3.636959531e+00 3.18 -3.570818272e+00 -3.570818272e+00 3.20 -3.503966128e+00 -3.503966128e+00 3.22 -3.436417812e+00 -3.436417812e+00 3.24 -3.368153180e+00 -3.368153180e+00 3.26 -3.299133145e+00 -3.299133145e+00 3.28 -3.229314894e+00 -3.229314894e+00 3.30 -3.158665584e+00 -3.158665584e+00 3.32 -3.087174193e+00 -3.087174193e+00 3.34 -3.014861366e+00 -3.014861366e+00 3.36 -2.941787072e+00 -2.941787072e+00 3.38 -2.868055808e+00 -2.868055808e+00 3.40 -2.793818969e+00 -2.793818969e+00 3.42 -2.719274024e+00 -2.719274024e+00 3.44 -2.644660186e+00 -2.644660186e+00 3.46 -2.570250687e+00 -2.570250687e+00 3.48 -2.496342012e+00 -2.496342012e+00 3.50 -2.423240942e+00 -2.423240942e+00 3.52 -2.351250521e+00 -2.351250521e+00 3.54 -2.280656288e+00 -2.280656288e+00 3.56 -2.211714023e+00 -2.211714023e+00 3.58 -2.144640051e+00 -2.144640051e+00 3.60 -2.079604767e+00 -2.079604767e+00 3.62 -2.016729572e+00 -2.016729572e+00 3.64 -1.956087061e+00 -1.956087061e+00 3.66 -1.897703907e+00 -1.897703907e+00 3.68 -1.841565784e+00 -1.841565784e+00 3.70 -1.787623547e+00 -1.787623547e+00 3.72 -1.735799993e+00 -1.735799993e+00 3.74 -1.685996613e+00 -1.685996613e+00 3.76 -1.638099921e+00 -1.638099921e+00 3.78 -1.591987073e+00 -1.591987073e+00 3.80 -1.547530653e+00 -1.547530653e+00 3.82 -1.504602574e+00 -1.504602574e+00 3.84 -1.463077133e+00 -1.463077133e+00 3.86 -1.422833304e+00 -1.422833304e+00 3.88 -1.383756374e+00 -1.383756374e+00 3.90 -1.345739053e+00 -1.345739053e+00 3.92 -1.308682154e+00 -1.308682154e+00 3.94 -1.272495025e+00 -1.272495025e+00 3.96 -1.237095699e+00 -1.237095699e+00 3.98 -1.202411011e+00 -1.202411011e+00 4.00 -1.168376608e+00 -1.168376608e+00 4.02 -1.134936933e+00 -1.134936933e+00 4.04 -1.102045185e+00 -1.102045185e+00 4.06 -1.069663232e+00 -1.069663232e+00 4.08 -1.037761465e+00 -1.037761465e+00 4.10 -1.006318563e+00 -1.006318563e+00 4.12 -9.753212975e-01 -9.753212975e-01 4.14 -9.447640828e-01 -9.447640828e-01 4.16 -9.146487726e-01 -9.146487726e-01 4.18 -8.849843936e-01 -8.849843936e-01 4.20 -8.557869736e-01 -8.557869736e-01 4.22 -8.270793885e-01 -8.270793885e-01 4.24 -7.988911104e-01 -7.988911104e-01 4.26 -7.712576777e-01 -7.712576777e-01 4.28 -7.442196964e-01 -7.442196964e-01 4.30 -7.178212229e-01 -7.178212229e-01 4.32 -6.921074854e-01 -6.921074854e-01 4.34 -6.671220427e-01 -6.671220427e-01 4.36 -6.429036238e-01 -6.429036238e-01 4.38 -6.194829967e-01 -6.194829967e-01 4.40 -5.968802468e-01 -5.968802468e-01 4.42 -5.751027969e-01 -5.751027969e-01 4.44 -5.541443855e-01 -5.541443855e-01 4.46 -5.339850712e-01 -5.339850712e-01 4.48 -5.145921854e-01 -5.145921854e-01 4.50 -4.959220418e-01 -4.959220418e-01 4.52 -4.779221576e-01 -4.779221576e-01 4.54 -4.605337256e-01 -4.605337256e-01 4.56 -4.436941166e-01 -4.436941166e-01 4.58 -4.273392376e-01 -4.273392376e-01 4.60 -4.114056380e-01 -4.114056380e-01 4.62 -3.958323061e-01 -3.958323061e-01 4.64 -3.805621420e-01 -3.805621420e-01 4.66 -3.655431182e-01 -3.655431182e-01 4.68 -3.507291586e-01 -3.507291586e-01 4.70 -3.360807727e-01 -3.360807727e-01 4.72 -3.215654859e-01 -3.215654859e-01 4.74 -3.071581118e-01 -3.071581118e-01 4.76 -2.928409082e-01 -2.928409082e-01 4.78 -2.786036748e-01 -2.786036748e-01 4.80 -2.644437969e-01 -2.644437969e-01 4.82 -2.503663417e-01 -2.503663417e-01 4.84 -2.363840320e-01 -2.363840320e-01 4.86 -2.225172920e-01 -2.225172920e-01 4.88 -2.087941565e-01 -2.087941565e-01 4.90 -1.952499965e-01 -1.952499965e-01 4.92 -1.819269557e-01 -1.819269557e-01 4.94 -1.688729318e-01 -1.688729318e-01 4.96 -1.561399466e-01 -1.561399466e-01 4.98 -1.437833812e-01 -1.437833812e-01 5.00 -1.318591167e-01 -1.318591167e-01 5.02 -1.204210539e-01 -1.204210539e-01 5.04 -1.095187402e-01 -1.095187402e-01 5.06 -9.919515211e-02 -9.919515211e-02 5.08 -8.948483586e-02 -8.948483586e-02 5.10 -8.041256121e-02 -8.041256121e-02 5.12 -7.199258640e-02 -7.199258640e-02 5.14 -6.422855566e-02 -6.422855566e-02 5.16 -5.711398294e-02 -5.711398294e-02 5.18 -5.063322127e-02 -5.063322127e-02 5.20 -4.476278425e-02 -4.476278425e-02 5.22 -3.947287347e-02 -3.947287347e-02 5.24 -3.472897047e-02 -3.472897047e-02 5.26 -3.049339466e-02 -3.049339466e-02 5.28 -2.672672422e-02 -2.672672422e-02 5.30 -2.338903269e-02 -2.338903269e-02 5.32 -2.044089696e-02 -2.044089696e-02 5.34 -1.784419307e-02 -1.784419307e-02 5.36 -1.556268145e-02 -1.556268145e-02 5.38 -1.356214626e-02 -1.356214626e-02 5.40 -1.181121467e-02 -1.181121467e-02 5.42 -1.028130441e-02 -1.028130441e-02 5.44 -8.946382435e-03 -8.946382435e-03 5.46 -7.782940184e-03 -7.782940184e-03 5.48 -6.769900465e-03 -6.769900465e-03 5.50 -5.888479268e-03 -5.888479268e-03 5.52 -5.122020637e-03 -5.122020637e-03 5.54 -4.455818229e-03 -4.455818229e-03 5.56 -3.876933428e-03 -3.876933428e-03 5.58 -3.374016987e-03 -3.374016987e-03 5.60 -2.937138789e-03 -2.937138789e-03 5.62 -2.557628605e-03 -2.557628605e-03 5.64 -2.227929410e-03 -2.227929410e-03 5.66 -1.941463893e-03 -1.941463893e-03 5.68 -1.692514132e-03 -1.692514132e-03 5.70 -1.476113973e-03 -1.476113973e-03 5.72 -1.287953394e-03 -1.287953394e-03 5.74 -1.124293953e-03 -1.124293953e-03 5.76 -9.818943523e-04 -9.818943523e-04 5.78 -8.579451550e-04 -8.579451550e-04 5.80 -7.500116838e-04 -7.500116838e-04 5.82 -6.559842101e-04 -6.559842101e-04 5.84 -5.740345831e-04 -5.740345831e-04 5.86 -5.025785317e-04 -5.025785317e-04 5.88 -4.402429424e-04 -4.402429424e-04 5.90 -3.858374857e-04 -3.858374857e-04 5.92 -3.383300368e-04 -3.383300368e-04 5.94 -2.968253963e-04 -2.968253963e-04 5.96 -2.605468782e-04 -2.605468782e-04 5.98 -2.288203856e-04 -2.288203856e-04 6.00 -2.010606399e-04 -2.010606399e-04