# 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 = Cu2PtTi # 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 2.018006305e+02 2.018006305e+02 1.30 1.868854985e+02 1.868854985e+02 1.32 1.730291606e+02 1.730291606e+02 1.34 1.601597536e+02 1.601597536e+02 1.36 1.482112950e+02 1.482112950e+02 1.38 1.371170798e+02 1.371170798e+02 1.40 1.268079008e+02 1.268079008e+02 1.42 1.172147294e+02 1.172147294e+02 1.44 1.082731703e+02 1.082731703e+02 1.46 9.992771693e+01 9.992771693e+01 1.48 9.213384191e+01 9.213384191e+01 1.50 8.485641306e+01 8.485641306e+01 1.52 7.806523562e+01 7.806523562e+01 1.54 7.173047414e+01 7.173047414e+01 1.56 6.582034790e+01 6.582034790e+01 1.58 6.030151017e+01 6.030151017e+01 1.60 5.514089201e+01 5.514089201e+01 1.62 5.030764953e+01 5.030764953e+01 1.64 4.577459182e+01 4.577459182e+01 1.66 4.151901260e+01 4.151901260e+01 1.68 3.752294866e+01 3.752294866e+01 1.70 3.379056264e+01 3.379056264e+01 1.72 3.036008390e+01 3.036008390e+01 1.74 2.721617457e+01 2.721617457e+01 1.76 2.433989259e+01 2.433989259e+01 1.78 2.171182049e+01 2.171182049e+01 1.80 1.931219682e+01 1.931219682e+01 1.82 1.712147997e+01 1.712147997e+01 1.84 1.512096286e+01 1.512096286e+01 1.86 1.329318554e+01 1.329318554e+01 1.88 1.162208075e+01 1.162208075e+01 1.90 1.009294981e+01 1.009294981e+01 1.92 8.692413379e+00 8.692413379e+00 1.94 7.408432021e+00 7.408432021e+00 1.96 6.230387243e+00 6.230387243e+00 1.98 5.149135435e+00 5.149135435e+00 2.00 4.156931399e+00 4.156931399e+00 2.02 3.247194305e+00 3.247194305e+00 2.04 2.414190061e+00 2.414190061e+00 2.06 1.652740155e+00 1.652740155e+00 2.08 9.580244965e-01 9.580244965e-01 2.10 3.254798933e-01 3.254798933e-01 2.12 -2.492392984e-01 -2.492392984e-01 2.14 -7.702716814e-01 -7.702716814e-01 2.16 -1.241545786e+00 -1.241545786e+00 2.18 -1.666770764e+00 -1.666770764e+00 2.20 -2.049428055e+00 -2.049428055e+00 2.22 -2.392772163e+00 -2.392772163e+00 2.24 -2.699844060e+00 -2.699844060e+00 2.26 -2.973495572e+00 -2.973495572e+00 2.28 -3.216418413e+00 -3.216418413e+00 2.30 -3.431167667e+00 -3.431167667e+00 2.32 -3.620169641e+00 -3.620169641e+00 2.34 -3.785707903e+00 -3.785707903e+00 2.36 -3.929895116e+00 -3.929895116e+00 2.38 -4.054646519e+00 -4.054646519e+00 2.40 -4.161873418e+00 -4.161873418e+00 2.42 -4.254369980e+00 -4.254369980e+00 2.44 -4.333314674e+00 -4.333314674e+00 2.46 -4.399564460e+00 -4.399564460e+00 2.48 -4.454004883e+00 -4.454004883e+00 2.50 -4.497558811e+00 -4.497558811e+00 2.52 -4.531204038e+00 -4.531204038e+00 2.54 -4.555931078e+00 -4.555931078e+00 2.56 -4.572616709e+00 -4.572616709e+00 2.58 -4.582074897e+00 -4.582074897e+00 2.60 -4.585021527e+00 -4.585021527e+00 2.62 -4.582056362e+00 -4.582056362e+00 2.64 -4.573670131e+00 -4.573670131e+00 2.66 -4.560269596e+00 -4.560269596e+00 2.68 -4.542207107e+00 -4.542207107e+00 2.70 -4.519757349e+00 -4.519757349e+00 2.72 -4.493140751e+00 -4.493140751e+00 2.74 -4.462588107e+00 -4.462588107e+00 2.76 -4.428657726e+00 -4.428657726e+00 2.78 -4.391488158e+00 -4.391488158e+00 2.80 -4.350924447e+00 -4.350924447e+00 2.82 -4.306866692e+00 -4.306866692e+00 2.84 -4.259265715e+00 -4.259265715e+00 2.86 -4.208127375e+00 -4.208127375e+00 2.88 -4.153522145e+00 -4.153522145e+00 2.90 -4.095595775e+00 -4.095595775e+00 2.92 -4.034576727e+00 -4.034576727e+00 2.94 -3.970788523e+00 -3.970788523e+00 2.96 -3.904656642e+00 -3.904656642e+00 2.98 -3.836661823e+00 -3.836661823e+00 3.00 -3.767308638e+00 -3.767308638e+00 3.02 -3.697094520e+00 -3.697094520e+00 3.04 -3.626478097e+00 -3.626478097e+00 3.06 -3.555852627e+00 -3.555852627e+00 3.08 -3.485527914e+00 -3.485527914e+00 3.10 -3.415723988e+00 -3.415723988e+00 3.12 -3.346574877e+00 -3.346574877e+00 3.14 -3.278140383e+00 -3.278140383e+00 3.16 -3.210423057e+00 -3.210423057e+00 3.18 -3.143427290e+00 -3.143427290e+00 3.20 -3.077165723e+00 -3.077165723e+00 3.22 -3.011613999e+00 -3.011613999e+00 3.24 -2.946723520e+00 -2.946723520e+00 3.26 -2.882433797e+00 -2.882433797e+00 3.28 -2.818681703e+00 -2.818681703e+00 3.30 -2.755408482e+00 -2.755408482e+00 3.32 -2.692565061e+00 -2.692565061e+00 3.34 -2.630115892e+00 -2.630115892e+00 3.36 -2.568041415e+00 -2.568041415e+00 3.38 -2.506339201e+00 -2.506339201e+00 3.40 -2.445023859e+00 -2.445023859e+00 3.42 -2.384125994e+00 -2.384125994e+00 3.44 -2.323690273e+00 -2.323690273e+00 3.46 -2.263773169e+00 -2.263773169e+00 3.48 -2.204440355e+00 -2.204440355e+00 3.50 -2.145763912e+00 -2.145763912e+00 3.52 -2.087819301e+00 -2.087819301e+00 3.54 -2.030682020e+00 -2.030682020e+00 3.56 -1.974423938e+00 -1.974423938e+00 3.58 -1.919109507e+00 -1.919109507e+00 3.60 -1.864792259e+00 -1.864792259e+00 3.62 -1.811512155e+00 -1.811512155e+00 3.64 -1.759294287e+00 -1.759294287e+00 3.66 -1.708149237e+00 -1.708149237e+00 3.68 -1.658075015e+00 -1.658075015e+00 3.70 -1.609060232e+00 -1.609060232e+00 3.72 -1.561087951e+00 -1.561087951e+00 3.74 -1.514139610e+00 -1.514139610e+00 3.76 -1.468198479e+00 -1.468198479e+00 3.78 -1.423252202e+00 -1.423252202e+00 3.80 -1.379294158e+00 -1.379294158e+00 3.82 -1.336323481e+00 -1.336323481e+00 3.84 -1.294343805e+00 -1.294343805e+00 3.86 -1.253360936e+00 -1.253360936e+00 3.88 -1.213379877e+00 -1.213379877e+00 3.90 -1.174401691e+00 -1.174401691e+00 3.92 -1.136420737e+00 -1.136420737e+00 3.94 -1.099422823e+00 -1.099422823e+00 3.96 -1.063384326e+00 -1.063384326e+00 3.98 -1.028272693e+00 -1.028272693e+00 4.00 -9.940479598e-01 -9.940479598e-01 4.02 -9.606651577e-01 -9.606651577e-01 4.04 -9.280772509e-01 -9.280772509e-01 4.06 -8.962382890e-01 -8.962382890e-01 4.08 -8.651064472e-01 -8.651064472e-01 4.10 -8.346466232e-01 -8.346466232e-01 4.12 -8.048327223e-01 -8.048327223e-01 4.14 -7.756485008e-01 -7.756485008e-01 4.16 -7.470881503e-01 -7.470881503e-01 4.18 -7.191555695e-01 -7.191555695e-01 4.20 -6.918628176e-01 -6.918628176e-01 4.22 -6.652278645e-01 -6.652278645e-01 4.24 -6.392719367e-01 -6.392719367e-01 4.26 -6.140168193e-01 -6.140168193e-01 4.28 -5.894824778e-01 -5.894824778e-01 4.30 -5.656852805e-01 -5.656852805e-01 4.32 -5.426369737e-01 -5.426369737e-01 4.34 -5.203443951e-01 -5.203443951e-01 4.36 -4.988097674e-01 -4.988097674e-01 4.38 -4.780313182e-01 -4.780313182e-01 4.40 -4.580039459e-01 -4.580039459e-01 4.42 -4.387196979e-01 -4.387196979e-01 4.44 -4.201679190e-01 -4.201679190e-01 4.46 -4.023350500e-01 -4.023350500e-01 4.48 -3.852041621e-01 -3.852041621e-01 4.50 -3.687543897e-01 -3.687543897e-01 4.52 -3.529604545e-01 -3.529604545e-01 4.54 -3.377924546e-01 -3.377924546e-01 4.56 -3.232160388e-01 -3.232160388e-01 4.58 -3.091930186e-01 -3.091930186e-01 4.60 -2.956823949e-01 -2.956823949e-01 4.62 -2.826417257e-01 -2.826417257e-01 4.64 -2.700287219e-01 -2.700287219e-01 4.66 -2.578029470e-01 -2.578029470e-01 4.68 -2.459274932e-01 -2.459274932e-01 4.70 -2.343705262e-01 -2.343705262e-01 4.72 -2.231065922e-01 -2.231065922e-01 4.74 -2.121174279e-01 -2.121174279e-01 4.76 -2.013928005e-01 -2.013928005e-01 4.78 -1.909308998e-01 -1.909308998e-01 4.80 -1.807374782e-01 -1.807374782e-01 4.82 -1.708252478e-01 -1.708252478e-01 4.84 -1.612123600e-01 -1.612123600e-01 4.86 -1.519209729e-01 -1.519209729e-01 4.88 -1.429753226e-01 -1.429753226e-01 4.90 -1.343997497e-01 -1.343997497e-01 4.92 -1.262168002e-01 -1.262168002e-01 4.94 -1.184455580e-01 -1.184455580e-01 4.96 -1.111003336e-01 -1.111003336e-01 4.98 -1.041897990e-01 -1.041897990e-01 5.00 -9.771657690e-02 -9.771657690e-02 5.02 -9.167726759e-02 -9.167726759e-02 5.04 -8.606284774e-02 -8.606284774e-02 5.06 -8.085934746e-02 -8.085934746e-02 5.08 -7.604872542e-02 -7.604872542e-02 5.10 -7.161025766e-02 -7.161025766e-02 5.12 -6.752042134e-02 -6.752042134e-02 5.14 -6.375414340e-02 -6.375414340e-02 5.16 -6.028590590e-02 -6.028590590e-02 5.18 -5.709037822e-02 -5.709037822e-02 5.20 -5.414291694e-02 -5.414291694e-02 5.22 -5.141993878e-02 -5.141993878e-02 5.24 -4.889917923e-02 -4.889917923e-02 5.26 -4.655985283e-02 -4.655985283e-02 5.28 -4.438273255e-02 -4.438273255e-02 5.30 -4.235016527e-02 -4.235016527e-02 5.32 -4.044603914e-02 -4.044603914e-02 5.34 -3.865571686e-02 -3.865571686e-02 5.36 -3.696594682e-02 -3.696594682e-02 5.38 -3.536476216e-02 -3.536476216e-02 5.40 -3.384137577e-02 -3.384137577e-02 5.42 -3.238607756e-02 -3.238607756e-02 5.44 -3.099013905e-02 -3.099013905e-02 5.46 -2.964572885e-02 -2.964572885e-02 5.48 -2.834584162e-02 -2.834584162e-02 5.50 -2.708424230e-02 -2.708424230e-02 5.52 -2.585542640e-02 -2.585542640e-02 5.54 -2.465459659e-02 -2.465459659e-02 5.56 -2.347765464e-02 -2.347765464e-02 5.58 -2.232120669e-02 -2.232120669e-02 5.60 -2.118257966e-02 -2.118257966e-02 5.62 -2.005984439e-02 -2.005984439e-02 5.64 -1.895184009e-02 -1.895184009e-02 5.66 -1.785819395e-02 -1.785819395e-02 5.68 -1.677932855e-02 -1.677932855e-02 5.70 -1.571644964e-02 -1.571644964e-02 5.72 -1.467150737e-02 -1.467150737e-02 5.74 -1.364712537e-02 -1.364712537e-02 5.76 -1.264649499e-02 -1.264649499e-02 5.78 -1.167314485e-02 -1.167314485e-02 5.80 -1.073089290e-02 -1.073089290e-02 5.82 -9.823741264e-03 -9.823741264e-03 5.84 -8.955552753e-03 -8.955552753e-03 5.86 -8.129856803e-03 -8.129856803e-03 5.88 -7.349676407e-03 -7.349676407e-03 5.90 -6.617388870e-03 -6.617388870e-03 5.92 -5.934629767e-03 -5.934629767e-03 5.94 -5.302244830e-03 -5.302244830e-03 5.96 -4.720289491e-03 -4.720289491e-03 5.98 -4.188071281e-03 -4.188071281e-03 6.00 -3.704226889e-03 -3.704226889e-03