# 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 = CuPtW2 # 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 3.705480051e+02 3.705480051e+02 1.30 3.437537660e+02 3.437537660e+02 1.32 3.189005712e+02 3.189005712e+02 1.34 2.958334829e+02 2.958334829e+02 1.36 2.744187841e+02 2.744187841e+02 1.38 2.545366440e+02 2.545366440e+02 1.40 2.360750845e+02 2.360750845e+02 1.42 2.189267924e+02 2.189267924e+02 1.44 2.029888545e+02 2.029888545e+02 1.46 1.881646021e+02 1.881646021e+02 1.48 1.743657245e+02 1.743657245e+02 1.50 1.615128980e+02 1.615128980e+02 1.52 1.495347207e+02 1.495347207e+02 1.54 1.383659832e+02 1.383659832e+02 1.56 1.279462834e+02 1.279462834e+02 1.58 1.182192383e+02 1.182192383e+02 1.60 1.091320458e+02 1.091320458e+02 1.62 1.006352575e+02 1.006352575e+02 1.64 9.268289526e+01 9.268289526e+01 1.66 8.523301693e+01 8.523301693e+01 1.68 7.824854312e+01 7.824854312e+01 1.70 7.169788747e+01 7.169788747e+01 1.72 6.555489221e+01 6.555489221e+01 1.74 5.979782638e+01 5.979782638e+01 1.76 5.440779353e+01 5.440779353e+01 1.78 4.936736903e+01 4.936736903e+01 1.80 4.465998785e+01 4.465998785e+01 1.82 4.026996740e+01 4.026996740e+01 1.84 3.618301578e+01 3.618301578e+01 1.86 3.238373340e+01 3.238373340e+01 1.88 2.885571941e+01 2.885571941e+01 1.90 2.560587970e+01 2.560587970e+01 1.92 2.265208075e+01 2.265208075e+01 1.94 1.996536217e+01 1.996536217e+01 1.96 1.751874159e+01 1.751874159e+01 1.98 1.528836257e+01 1.528836257e+01 2.00 1.325340279e+01 1.325340279e+01 2.02 1.139571257e+01 1.139571257e+01 2.04 9.699327739e+00 9.699327739e+00 2.06 8.149988808e+00 8.149988808e+00 2.08 6.734750139e+00 6.734750139e+00 2.10 5.441711383e+00 5.441711383e+00 2.12 4.259871016e+00 4.259871016e+00 2.14 3.179085615e+00 3.179085615e+00 2.16 2.190104755e+00 2.190104755e+00 2.18 1.284635175e+00 1.284635175e+00 2.20 4.553798016e-01 4.553798016e-01 2.22 -3.039891754e-01 -3.039891754e-01 2.24 -9.989320872e-01 -9.989320872e-01 2.26 -1.634195242e+00 -1.634195242e+00 2.28 -2.213977383e+00 -2.213977383e+00 2.30 -2.742074438e+00 -2.742074438e+00 2.32 -3.221983463e+00 -3.221983463e+00 2.34 -3.656963830e+00 -3.656963830e+00 2.36 -4.050066839e+00 -4.050066839e+00 2.38 -4.404150418e+00 -4.404150418e+00 2.40 -4.721893001e+00 -4.721893001e+00 2.42 -5.005812554e+00 -5.005812554e+00 2.44 -5.258286861e+00 -5.258286861e+00 2.46 -5.481427957e+00 -5.481427957e+00 2.48 -5.677449092e+00 -5.677449092e+00 2.50 -5.848601633e+00 -5.848601633e+00 2.52 -5.997025359e+00 -5.997025359e+00 2.54 -6.124735947e+00 -6.124735947e+00 2.56 -6.233594751e+00 -6.233594751e+00 2.58 -6.325270464e+00 -6.325270464e+00 2.60 -6.401203033e+00 -6.401203033e+00 2.62 -6.462318463e+00 -6.462318463e+00 2.64 -6.509004480e+00 -6.509004480e+00 2.66 -6.541601871e+00 -6.541601871e+00 2.68 -6.560599476e+00 -6.560599476e+00 2.70 -6.567461012e+00 -6.567461012e+00 2.72 -6.562528022e+00 -6.562528022e+00 2.74 -6.545919078e+00 -6.545919078e+00 2.76 -6.517824249e+00 -6.517824249e+00 2.78 -6.478489748e+00 -6.478489748e+00 2.80 -6.428206273e+00 -6.428206273e+00 2.82 -6.367304793e+00 -6.367304793e+00 2.84 -6.296161482e+00 -6.296161482e+00 2.86 -6.215211261e+00 -6.215211261e+00 2.88 -6.124967582e+00 -6.124967582e+00 2.90 -6.026044505e+00 -6.026044505e+00 2.92 -5.919175978e+00 -5.919175978e+00 2.94 -5.805226482e+00 -5.805226482e+00 2.96 -5.685187518e+00 -5.685187518e+00 2.98 -5.560221572e+00 -5.560221572e+00 3.00 -5.431642251e+00 -5.431642251e+00 3.02 -5.300445921e+00 -5.300445921e+00 3.04 -5.167579637e+00 -5.167579637e+00 3.06 -5.033907164e+00 -5.033907164e+00 3.08 -4.900156226e+00 -4.900156226e+00 3.10 -4.766883542e+00 -4.766883542e+00 3.12 -4.634459569e+00 -4.634459569e+00 3.14 -4.503072973e+00 -4.503072973e+00 3.16 -4.372770523e+00 -4.372770523e+00 3.18 -4.243477082e+00 -4.243477082e+00 3.20 -4.115010539e+00 -4.115010539e+00 3.22 -3.987117761e+00 -3.987117761e+00 3.24 -3.859510816e+00 -3.859510816e+00 3.26 -3.731901229e+00 -3.731901229e+00 3.28 -3.604031313e+00 -3.604031313e+00 3.30 -3.475701930e+00 -3.475701930e+00 3.32 -3.346796100e+00 -3.346796100e+00 3.34 -3.217297741e+00 -3.217297741e+00 3.36 -3.087310280e+00 -3.087310280e+00 3.38 -2.957292599e+00 -2.957292599e+00 3.40 -2.828101413e+00 -2.828101413e+00 3.42 -2.700638396e+00 -2.700638396e+00 3.44 -2.575791958e+00 -2.575791958e+00 3.46 -2.454399520e+00 -2.454399520e+00 3.48 -2.337210485e+00 -2.337210485e+00 3.50 -2.224854492e+00 -2.224854492e+00 3.52 -2.117818595e+00 -2.117818595e+00 3.54 -2.016435569e+00 -2.016435569e+00 3.56 -1.920883770e+00 -1.920883770e+00 3.58 -1.831197344e+00 -1.831197344e+00 3.60 -1.747284408e+00 -1.747284408e+00 3.62 -1.668950192e+00 -1.668950192e+00 3.64 -1.595922144e+00 -1.595922144e+00 3.66 -1.527874451e+00 -1.527874451e+00 3.68 -1.464450098e+00 -1.464450098e+00 3.70 -1.405279396e+00 -1.405279396e+00 3.72 -1.349994520e+00 -1.349994520e+00 3.74 -1.298240140e+00 -1.298240140e+00 3.76 -1.249680555e+00 -1.249680555e+00 3.78 -1.204003865e+00 -1.204003865e+00 3.80 -1.160923828e+00 -1.160923828e+00 3.82 -1.120179986e+00 -1.120179986e+00 3.84 -1.081536605e+00 -1.081536605e+00 3.86 -1.044780898e+00 -1.044780898e+00 3.88 -1.009720897e+00 -1.009720897e+00 3.90 -9.761832901e-01 -9.761832901e-01 3.92 -9.440114111e-01 -9.440114111e-01 3.94 -9.130635308e-01 -9.130635308e-01 3.96 -8.832115008e-01 -8.832115008e-01 3.98 -8.543397899e-01 -8.543397899e-01 4.00 -8.263448791e-01 -8.263448791e-01 4.02 -7.991349814e-01 -7.991349814e-01 4.04 -7.726300243e-01 -7.726300243e-01 4.06 -7.467618117e-01 -7.467618117e-01 4.08 -7.214742518e-01 -7.214742518e-01 4.10 -6.967235377e-01 -6.967235377e-01 4.12 -6.724781261e-01 -6.724781261e-01 4.14 -6.487182935e-01 -6.487182935e-01 4.16 -6.254355779e-01 -6.254355779e-01 4.18 -6.026312634e-01 -6.026312634e-01 4.20 -5.803128787e-01 -5.803128787e-01 4.22 -5.584934556e-01 -5.584934556e-01 4.24 -5.371888658e-01 -5.371888658e-01 4.26 -5.164152291e-01 -5.164152291e-01 4.28 -4.961867692e-01 -4.961867692e-01 4.30 -4.765143070e-01 -4.765143070e-01 4.32 -4.574044784e-01 -4.574044784e-01 4.34 -4.388596272e-01 -4.388596272e-01 4.36 -4.208782092e-01 -4.208782092e-01 4.38 -4.034554639e-01 -4.034554639e-01 4.40 -3.865840937e-01 -3.865840937e-01 4.42 -3.702547340e-01 -3.702547340e-01 4.44 -3.544560875e-01 -3.544560875e-01 4.46 -3.391747042e-01 -3.391747042e-01 4.48 -3.243944894e-01 -3.243944894e-01 4.50 -3.100961050e-01 -3.100961050e-01 4.52 -2.962564427e-01 -2.962564427e-01 4.54 -2.828481791e-01 -2.828481791e-01 4.56 -2.698403986e-01 -2.698403986e-01 4.58 -2.571989486e-01 -2.571989486e-01 4.60 -2.448873614e-01 -2.448873614e-01 4.62 -2.328683505e-01 -2.328683505e-01 4.64 -2.211055782e-01 -2.211055782e-01 4.66 -2.095655726e-01 -2.095655726e-01 4.68 -1.982196605e-01 -1.982196605e-01 4.70 -1.870457794e-01 -1.870457794e-01 4.72 -1.760300360e-01 -1.760300360e-01 4.74 -1.651678838e-01 -1.651678838e-01 4.76 -1.544648071e-01 -1.544648071e-01 4.78 -1.439364154e-01 -1.439364154e-01 4.80 -1.336078877e-01 -1.336078877e-01 4.82 -1.235127525e-01 -1.235127525e-01 4.84 -1.136910441e-01 -1.136910441e-01 4.86 -1.041869552e-01 -1.041869552e-01 4.88 -9.504615389e-02 -9.504615389e-02 4.90 -8.631298974e-02 -8.631298974e-02 4.92 -7.802783091e-02 -7.802783091e-02 4.94 -7.022475978e-02 -7.022475978e-02 4.96 -6.292981067e-02 -6.292981067e-02 4.98 -5.615986302e-02 -5.615986302e-02 5.00 -4.992222286e-02 -4.992222286e-02 5.02 -4.421484898e-02 -4.421484898e-02 5.04 -3.902711861e-02 -3.902711861e-02 5.06 -3.434099025e-02 -3.434099025e-02 5.08 -3.013240781e-02 -3.013240781e-02 5.10 -2.637279648e-02 -2.637279648e-02 5.12 -2.303053210e-02 -2.303053210e-02 5.14 -2.007228684e-02 -2.007228684e-02 5.16 -1.746415481e-02 -1.746415481e-02 5.18 -1.517228820e-02 -1.517228820e-02 5.20 -1.316459880e-02 -1.316459880e-02 5.22 -1.141071917e-02 -1.141071917e-02 5.24 -9.882203475e-03 -9.882203475e-03 5.26 -8.552787028e-03 -8.552787028e-03 5.28 -7.398505790e-03 -7.398505790e-03 5.30 -6.397710298e-03 -6.397710298e-03 5.32 -5.531003504e-03 -5.531003504e-03 5.34 -4.781126943e-03 -4.781126943e-03 5.36 -4.132814589e-03 -4.132814589e-03 5.38 -3.572629252e-03 -3.572629252e-03 5.40 -3.088792458e-03 -3.088792458e-03 5.42 -2.671015646e-03 -2.671015646e-03 5.44 -2.310337932e-03 -2.310337932e-03 5.46 -1.998973802e-03 -1.998973802e-03 5.48 -1.730172640e-03 -1.730172640e-03 5.50 -1.498090933e-03 -1.498090933e-03 5.52 -1.297677271e-03 -1.297677271e-03 5.54 -1.124569778e-03 -1.124569778e-03 5.56 -9.750052651e-04 -9.750052651e-04 5.58 -8.457392452e-04 -8.457392452e-04 5.60 -7.339758406e-04 -7.339758406e-04 5.62 -6.373066106e-04 -6.373066106e-04 5.64 -5.536573323e-04 -5.536573323e-04 5.66 -4.812418281e-04 -4.812418281e-04 5.68 -4.185219958e-04 -4.185219958e-04 5.70 -3.641732706e-04 -3.641732706e-04 5.72 -3.170548246e-04 -3.170548246e-04 5.74 -2.761838866e-04 -2.761838866e-04 5.76 -2.407136310e-04 -2.407136310e-04 5.78 -2.099141557e-04 -2.099141557e-04 5.80 -1.831561263e-04 -1.831561263e-04 5.82 -1.598967180e-04 -1.598967180e-04 5.84 -1.396675364e-04 -1.396675364e-04 5.86 -1.220642395e-04 -1.220642395e-04 5.88 -1.067376230e-04 -1.067376230e-04 5.90 -9.338596111e-05 -9.338596111e-05 5.92 -8.174842596e-05 -8.174842596e-05 5.94 -7.159943306e-05 -7.159943306e-05 5.96 -6.274378086e-05 -6.274378086e-05 5.98 -5.501247213e-05 -5.501247213e-05 6.00 -4.825912030e-05 -4.825912030e-05