# 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 = MoPtTa2 # 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 4.278400736e+02 4.278400736e+02 1.30 3.985355226e+02 3.985355226e+02 1.32 3.712884915e+02 3.712884915e+02 1.34 3.459700240e+02 3.459700240e+02 1.36 3.224526878e+02 3.224526878e+02 1.38 3.006034691e+02 3.006034691e+02 1.40 2.802836995e+02 2.802836995e+02 1.42 2.613555779e+02 2.613555779e+02 1.44 2.436907242e+02 2.436907242e+02 1.46 2.271765618e+02 2.271765618e+02 1.48 2.117188700e+02 2.117188700e+02 1.50 1.972406368e+02 1.972406368e+02 1.52 1.836781316e+02 1.836781316e+02 1.54 1.709757353e+02 1.709757353e+02 1.56 1.590813849e+02 1.590813849e+02 1.58 1.479438838e+02 1.479438838e+02 1.60 1.375122251e+02 1.375122251e+02 1.62 1.277363403e+02 1.277363403e+02 1.64 1.185685276e+02 1.185685276e+02 1.66 1.099649618e+02 1.099649618e+02 1.68 1.018868611e+02 1.018868611e+02 1.70 9.430093941e+01 9.430093941e+01 1.72 8.717880790e+01 8.717880790e+01 1.74 8.049527100e+01 8.049527100e+01 1.76 7.422608360e+01 7.422608360e+01 1.78 6.834620213e+01 6.834620213e+01 1.80 6.282927228e+01 6.282927228e+01 1.82 5.764826651e+01 5.764826651e+01 1.84 5.277662963e+01 5.277662963e+01 1.86 4.818934847e+01 4.818934847e+01 1.88 4.386371093e+01 4.386371093e+01 1.90 3.978026765e+01 3.978026765e+01 1.92 3.592922010e+01 3.592922010e+01 1.94 3.229831676e+01 3.229831676e+01 1.96 2.887894667e+01 2.887894667e+01 1.98 2.570687784e+01 2.570687784e+01 2.00 2.278782686e+01 2.278782686e+01 2.02 2.010717781e+01 2.010717781e+01 2.04 1.764991671e+01 1.764991671e+01 2.06 1.540042610e+01 1.540042610e+01 2.08 1.334268912e+01 1.334268912e+01 2.10 1.146073699e+01 1.146073699e+01 2.12 9.739144257e+00 9.739144257e+00 2.14 8.163434951e+00 8.163434951e+00 2.16 6.720346912e+00 6.720346912e+00 2.18 5.397958922e+00 5.397958922e+00 2.20 4.185703454e+00 4.185703454e+00 2.22 3.074288719e+00 3.074288719e+00 2.24 2.055554724e+00 2.055554724e+00 2.26 1.122291533e+00 1.122291533e+00 2.28 2.680485545e-01 2.680485545e-01 2.30 -5.130403727e-01 -5.130403727e-01 2.32 -1.226398490e+00 -1.226398490e+00 2.34 -1.877104573e+00 -1.877104573e+00 2.36 -2.469947020e+00 -2.469947020e+00 2.38 -3.009440050e+00 -3.009440050e+00 2.40 -3.499814587e+00 -3.499814587e+00 2.42 -3.944999154e+00 -3.944999154e+00 2.44 -4.348604959e+00 -4.348604959e+00 2.46 -4.713925132e+00 -4.713925132e+00 2.48 -5.043952046e+00 -5.043952046e+00 2.50 -5.341409668e+00 -5.341409668e+00 2.52 -5.608791614e+00 -5.608791614e+00 2.54 -5.848392786e+00 -5.848392786e+00 2.56 -6.062325684e+00 -6.062325684e+00 2.58 -6.252520955e+00 -6.252520955e+00 2.60 -6.420720264e+00 -6.420720264e+00 2.62 -6.568472890e+00 -6.568472890e+00 2.64 -6.697091546e+00 -6.697091546e+00 2.66 -6.807644799e+00 -6.807644799e+00 2.68 -6.901340884e+00 -6.901340884e+00 2.70 -6.979273406e+00 -6.979273406e+00 2.72 -7.042422742e+00 -7.042422742e+00 2.74 -7.091678688e+00 -7.091678688e+00 2.76 -7.127855644e+00 -7.127855644e+00 2.78 -7.152519224e+00 -7.152519224e+00 2.80 -7.167018211e+00 -7.167018211e+00 2.82 -7.171623670e+00 -7.171623670e+00 2.84 -7.166274288e+00 -7.166274288e+00 2.86 -7.150976710e+00 -7.150976710e+00 2.88 -7.125864210e+00 -7.125864210e+00 2.90 -7.091135116e+00 -7.091135116e+00 2.92 -7.047059378e+00 -7.047059378e+00 2.94 -6.993983316e+00 -6.993983316e+00 2.96 -6.932328526e+00 -6.932328526e+00 2.98 -6.862581776e+00 -6.862581776e+00 3.00 -6.785274927e+00 -6.785274927e+00 3.02 -6.700948485e+00 -6.700948485e+00 3.04 -6.610037237e+00 -6.610037237e+00 3.06 -6.512894651e+00 -6.512894651e+00 3.08 -6.409835123e+00 -6.409835123e+00 3.10 -6.301122425e+00 -6.301122425e+00 3.12 -6.186969121e+00 -6.186969121e+00 3.14 -6.067546364e+00 -6.067546364e+00 3.16 -5.943001132e+00 -5.943001132e+00 3.18 -5.813477852e+00 -5.813477852e+00 3.20 -5.679141588e+00 -5.679141588e+00 3.22 -5.540200454e+00 -5.540200454e+00 3.24 -5.396925258e+00 -5.396925258e+00 3.26 -5.249664609e+00 -5.249664609e+00 3.28 -5.098853943e+00 -5.098853943e+00 3.30 -4.945017269e+00 -4.945017269e+00 3.32 -4.788761037e+00 -4.788761037e+00 3.34 -4.630760250e+00 -4.630760250e+00 3.36 -4.471737839e+00 -4.471737839e+00 3.38 -4.312439045e+00 -4.312439045e+00 3.40 -4.153603125e+00 -4.153603125e+00 3.42 -3.995934836e+00 -3.995934836e+00 3.44 -3.840078040e+00 -3.840078040e+00 3.46 -3.686593385e+00 -3.686593385e+00 3.48 -3.535941492e+00 -3.535941492e+00 3.50 -3.388472524e+00 -3.388472524e+00 3.52 -3.244426916e+00 -3.244426916e+00 3.54 -3.104006381e+00 -3.104006381e+00 3.56 -2.967366301e+00 -2.967366301e+00 3.58 -2.834570972e+00 -2.834570972e+00 3.60 -2.705612066e+00 -2.705612066e+00 3.62 -2.580430785e+00 -2.580430785e+00 3.64 -2.458940346e+00 -2.458940346e+00 3.66 -2.341047297e+00 -2.341047297e+00 3.68 -2.226670237e+00 -2.226670237e+00 3.70 -2.115754732e+00 -2.115754732e+00 3.72 -2.008283450e+00 -2.008283450e+00 3.74 -1.904280911e+00 -1.904280911e+00 3.76 -1.803812683e+00 -1.803812683e+00 3.78 -1.706979306e+00 -1.706979306e+00 3.80 -1.613905772e+00 -1.613905772e+00 3.82 -1.524727827e+00 -1.524727827e+00 3.84 -1.439576685e+00 -1.439576685e+00 3.86 -1.358563901e+00 -1.358563901e+00 3.88 -1.281768052e+00 -1.281768052e+00 3.90 -1.209224553e+00 -1.209224553e+00 3.92 -1.140919458e+00 -1.140919458e+00 3.94 -1.076787551e+00 -1.076787551e+00 3.96 -1.016714486e+00 -1.016714486e+00 3.98 -9.605423543e-01 -9.605423543e-01 4.00 -9.080777757e-01 -9.080777757e-01 4.02 -8.591015292e-01 -8.591015292e-01 4.04 -8.133787792e-01 -8.133787792e-01 4.06 -7.706690701e-01 -7.706690701e-01 4.08 -7.307354299e-01 -7.307354299e-01 4.10 -6.933520741e-01 -6.933520741e-01 4.12 -6.583103875e-01 -6.583103875e-01 4.14 -6.254228949e-01 -6.254228949e-01 4.16 -5.945252253e-01 -5.945252253e-01 4.18 -5.654760498e-01 -5.654760498e-01 4.20 -5.381552272e-01 -5.381552272e-01 4.22 -5.124605133e-01 -5.124605133e-01 4.24 -4.883033309e-01 -4.883033309e-01 4.26 -4.656041728e-01 -4.656041728e-01 4.28 -4.442882135e-01 -4.442882135e-01 4.30 -4.242816104e-01 -4.242816104e-01 4.32 -4.055088191e-01 -4.055088191e-01 4.34 -3.878910488e-01 -3.878910488e-01 4.36 -3.713457985e-01 -3.713457985e-01 4.38 -3.557873006e-01 -3.557873006e-01 4.40 -3.411275511e-01 -3.411275511e-01 4.42 -3.272776787e-01 -3.272776787e-01 4.44 -3.141495376e-01 -3.141495376e-01 4.46 -3.016574476e-01 -3.016574476e-01 4.48 -2.897177492e-01 -2.897177492e-01 4.50 -2.782509612e-01 -2.782509612e-01 4.52 -2.671825772e-01 -2.671825772e-01 4.54 -2.564435075e-01 -2.564435075e-01 4.56 -2.459704359e-01 -2.459704359e-01 4.58 -2.357060425e-01 -2.357060425e-01 4.60 -2.255993534e-01 -2.255993534e-01 4.62 -2.156066687e-01 -2.156066687e-01 4.64 -2.056915043e-01 -2.056915043e-01 4.66 -1.958251752e-01 -1.958251752e-01 4.68 -1.859874445e-01 -1.859874445e-01 4.70 -1.761671438e-01 -1.761671438e-01 4.72 -1.663626955e-01 -1.663626955e-01 4.74 -1.565824396e-01 -1.565824396e-01 4.76 -1.468446590e-01 -1.468446590e-01 4.78 -1.371771983e-01 -1.371771983e-01 4.80 -1.276165939e-01 -1.276165939e-01 4.82 -1.182066791e-01 -1.182066791e-01 4.84 -1.089966722e-01 -1.089966722e-01 4.86 -1.000388457e-01 -1.000388457e-01 4.88 -9.138591608e-02 -9.138591608e-02 4.90 -8.308835988e-02 -8.308835988e-02 4.92 -7.519187624e-02 -7.519187624e-02 4.94 -6.773521121e-02 -6.773521121e-02 4.96 -6.074851513e-02 -6.074851513e-02 4.98 -5.425233983e-02 -5.425233983e-02 5.00 -4.825730774e-02 -4.825730774e-02 5.02 -4.276439594e-02 -4.276439594e-02 5.04 -3.776574925e-02 -3.776574925e-02 5.06 -3.324588225e-02 -3.324588225e-02 5.08 -2.918310907e-02 -2.918310907e-02 5.10 -2.555105493e-02 -2.555105493e-02 5.12 -2.232011637e-02 -2.232011637e-02 5.14 -1.945881401e-02 -1.945881401e-02 5.16 -1.693489751e-02 -1.693489751e-02 5.18 -1.471603620e-02 -1.471603620e-02 5.20 -1.277156513e-02 -1.277156513e-02 5.22 -1.107234400e-02 -1.107234400e-02 5.24 -9.591022202e-03 -9.591022202e-03 5.26 -8.302307178e-03 -8.302307178e-03 5.28 -7.183093540e-03 -7.183093540e-03 5.30 -6.212486883e-03 -6.212486883e-03 5.32 -5.371751515e-03 -5.371751515e-03 5.34 -4.644206247e-03 -4.644206247e-03 5.36 -4.015087403e-03 -4.015087403e-03 5.38 -3.471393773e-03 -3.471393773e-03 5.40 -3.001724402e-03 -3.001724402e-03 5.42 -2.596116972e-03 -2.596116972e-03 5.44 -2.245892055e-03 -2.245892055e-03 5.46 -1.943506616e-03 -1.943506616e-03 5.48 -1.682418681e-03 -1.682418681e-03 5.50 -1.456964093e-03 -1.456964093e-03 5.52 -1.262245503e-03 -1.262245503e-03 5.54 -1.094033279e-03 -1.094033279e-03 5.56 -9.486776977e-04 -9.486776977e-04 5.58 -8.230315874e-04 -8.230315874e-04 5.60 -7.143825177e-04 -7.143825177e-04 5.62 -6.203935903e-04 -6.203935903e-04 5.64 -5.390519147e-04 -5.390519147e-04 5.66 -4.686238940e-04 -4.686238940e-04 5.68 -4.076165067e-04 -4.076165067e-04 5.70 -3.547438436e-04 -3.547438436e-04 5.72 -3.088982299e-04 -3.088982299e-04 5.74 -2.691253335e-04 -2.691253335e-04 5.76 -2.346027315e-04 -2.346027315e-04 5.78 -2.046214667e-04 -2.046214667e-04 5.80 -1.785701876e-04 -1.785701876e-04 5.82 -1.559215143e-04 -1.559215143e-04 5.84 -1.362203225e-04 -1.362203225e-04 5.86 -1.190736763e-04 -1.190736763e-04 5.88 -1.041421785e-04 -1.041421785e-04 5.90 -9.113253942e-05 -9.113253942e-05 5.92 -7.979119108e-05 -7.979119108e-05 5.94 -6.989879894e-05 -6.989879894e-05 5.96 -6.126554442e-05 -6.126554442e-05 5.98 -5.372706851e-05 -5.372706851e-05 6.00 -4.714098290e-05 -4.714098290e-05