# 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 = AlPtZr2 # 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 3.528660727e+02 3.528660727e+02 1.30 3.301709671e+02 3.301709671e+02 1.32 3.089980936e+02 3.089980936e+02 1.34 2.892372359e+02 2.892372359e+02 1.36 2.707869196e+02 2.707869196e+02 1.38 2.535499831e+02 2.535499831e+02 1.40 2.374328959e+02 2.374328959e+02 1.42 2.223491473e+02 2.223491473e+02 1.44 2.082228080e+02 2.082228080e+02 1.46 1.949880680e+02 1.949880680e+02 1.48 1.825855993e+02 1.825855993e+02 1.50 1.709599152e+02 1.709599152e+02 1.52 1.600591750e+02 1.600591750e+02 1.54 1.498352747e+02 1.498352747e+02 1.56 1.402432245e+02 1.402432245e+02 1.58 1.312397428e+02 1.312397428e+02 1.60 1.227825007e+02 1.227825007e+02 1.62 1.148303662e+02 1.148303662e+02 1.64 1.073446637e+02 1.073446637e+02 1.66 1.002904321e+02 1.002904321e+02 1.68 9.363735523e+01 9.363735523e+01 1.70 8.735987090e+01 8.735987090e+01 1.72 8.143634657e+01 8.143634657e+01 1.74 7.584750673e+01 7.584750673e+01 1.76 7.057480363e+01 7.057480363e+01 1.78 6.559944927e+01 6.559944927e+01 1.80 6.090249882e+01 6.090249882e+01 1.82 5.646547045e+01 5.646547045e+01 1.84 5.227126437e+01 5.227126437e+01 1.86 4.830469028e+01 4.830469028e+01 1.88 4.455244436e+01 4.455244436e+01 1.90 4.100269265e+01 4.100269265e+01 1.92 3.764491919e+01 3.764491919e+01 1.94 3.446986723e+01 3.446986723e+01 1.96 3.146802368e+01 3.146802368e+01 1.98 2.863188320e+01 2.863188320e+01 2.00 2.598570908e+01 2.598570908e+01 2.02 2.352974736e+01 2.352974736e+01 2.04 2.125043534e+01 2.125043534e+01 2.06 1.913502870e+01 1.913502870e+01 2.08 1.717203473e+01 1.717203473e+01 2.10 1.535110937e+01 1.535110937e+01 2.12 1.366276330e+01 1.366276330e+01 2.14 1.209808928e+01 1.209808928e+01 2.16 1.064853275e+01 1.064853275e+01 2.18 9.305806950e+00 9.305806950e+00 2.20 8.061964938e+00 8.061964938e+00 2.22 6.909512814e+00 6.909512814e+00 2.24 5.841521893e+00 5.841521893e+00 2.26 4.851695777e+00 4.851695777e+00 2.28 3.934374412e+00 3.934374412e+00 2.30 3.084528561e+00 3.084528561e+00 2.32 2.297700922e+00 2.297700922e+00 2.34 1.569900599e+00 1.569900599e+00 2.36 8.975287465e-01 8.975287465e-01 2.38 2.772833184e-01 2.772833184e-01 2.40 -2.939158050e-01 -2.939158050e-01 2.42 -8.189918973e-01 -8.189918973e-01 2.44 -1.300746725e+00 -1.300746725e+00 2.46 -1.741896711e+00 -1.741896711e+00 2.48 -2.145090826e+00 -2.145090826e+00 2.50 -2.512924207e+00 -2.512924207e+00 2.52 -2.847946796e+00 -2.847946796e+00 2.54 -3.152662300e+00 -3.152662300e+00 2.56 -3.429510410e+00 -3.429510410e+00 2.58 -3.680830746e+00 -3.680830746e+00 2.60 -3.908816726e+00 -3.908816726e+00 2.62 -4.115472154e+00 -4.115472154e+00 2.64 -4.302588806e+00 -4.302588806e+00 2.66 -4.471732967e+00 -4.471732967e+00 2.68 -4.624262660e+00 -4.624262660e+00 2.70 -4.761352112e+00 -4.761352112e+00 2.72 -4.884023781e+00 -4.884023781e+00 2.74 -4.993179884e+00 -4.993179884e+00 2.76 -5.089678401e+00 -5.089678401e+00 2.78 -5.174306043e+00 -5.174306043e+00 2.80 -5.247645126e+00 -5.247645126e+00 2.82 -5.310237774e+00 -5.310237774e+00 2.84 -5.362608092e+00 -5.362608092e+00 2.86 -5.405420336e+00 -5.405420336e+00 2.88 -5.440062710e+00 -5.440062710e+00 2.90 -5.466970546e+00 -5.466970546e+00 2.92 -5.486433368e+00 -5.486433368e+00 2.94 -5.498778405e+00 -5.498778405e+00 2.96 -5.504261325e+00 -5.504261325e+00 2.98 -5.503100374e+00 -5.503100374e+00 3.00 -5.495580875e+00 -5.495580875e+00 3.02 -5.482039698e+00 -5.482039698e+00 3.04 -5.462840207e+00 -5.462840207e+00 3.06 -5.438366995e+00 -5.438366995e+00 3.08 -5.408985530e+00 -5.408985530e+00 3.10 -5.375048101e+00 -5.375048101e+00 3.12 -5.336880390e+00 -5.336880390e+00 3.14 -5.294794687e+00 -5.294794687e+00 3.16 -5.249070173e+00 -5.249070173e+00 3.18 -5.199973164e+00 -5.199973164e+00 3.20 -5.148130250e+00 -5.148130250e+00 3.22 -5.093997520e+00 -5.093997520e+00 3.24 -5.037617324e+00 -5.037617324e+00 3.26 -4.979069406e+00 -4.979069406e+00 3.28 -4.918468629e+00 -4.918468629e+00 3.30 -4.855961100e+00 -4.855961100e+00 3.32 -4.791717547e+00 -4.791717547e+00 3.34 -4.725923717e+00 -4.725923717e+00 3.36 -4.658769008e+00 -4.658769008e+00 3.38 -4.590436116e+00 -4.590436116e+00 3.40 -4.521096938e+00 -4.521096938e+00 3.42 -4.450911272e+00 -4.450911272e+00 3.44 -4.380011468e+00 -4.380011468e+00 3.46 -4.308512435e+00 -4.308512435e+00 3.48 -4.236514269e+00 -4.236514269e+00 3.50 -4.164106649e+00 -4.164106649e+00 3.52 -4.091372236e+00 -4.091372236e+00 3.54 -4.018388729e+00 -4.018388729e+00 3.56 -3.945229673e+00 -3.945229673e+00 3.58 -3.871964299e+00 -3.871964299e+00 3.60 -3.798656785e+00 -3.798656785e+00 3.62 -3.725365319e+00 -3.725365319e+00 3.64 -3.652141253e+00 -3.652141253e+00 3.66 -3.579028606e+00 -3.579028606e+00 3.68 -3.506064113e+00 -3.506064113e+00 3.70 -3.433277938e+00 -3.433277938e+00 3.72 -3.360695136e+00 -3.360695136e+00 3.74 -3.288337828e+00 -3.288337828e+00 3.76 -3.216227985e+00 -3.216227985e+00 3.78 -3.144390529e+00 -3.144390529e+00 3.80 -3.072856338e+00 -3.072856338e+00 3.82 -3.001664623e+00 -3.001664623e+00 3.84 -2.930864092e+00 -2.930864092e+00 3.86 -2.860517410e+00 -2.860517410e+00 3.88 -2.790720403e+00 -2.790720403e+00 3.90 -2.721575892e+00 -2.721575892e+00 3.92 -2.653175472e+00 -2.653175472e+00 3.94 -2.585608275e+00 -2.585608275e+00 3.96 -2.518937050e+00 -2.518937050e+00 3.98 -2.453210971e+00 -2.453210971e+00 4.00 -2.388462086e+00 -2.388462086e+00 4.02 -2.324707493e+00 -2.324707493e+00 4.04 -2.261952943e+00 -2.261952943e+00 4.06 -2.200197206e+00 -2.200197206e+00 4.08 -2.139436596e+00 -2.139436596e+00 4.10 -2.079661726e+00 -2.079661726e+00 4.12 -2.020892042e+00 -2.020892042e+00 4.14 -1.963129184e+00 -1.963129184e+00 4.16 -1.906392972e+00 -1.906392972e+00 4.18 -1.850712403e+00 -1.850712403e+00 4.20 -1.796124745e+00 -1.796124745e+00 4.22 -1.742673613e+00 -1.742673613e+00 4.24 -1.690406237e+00 -1.690406237e+00 4.26 -1.639370184e+00 -1.639370184e+00 4.28 -1.589609880e+00 -1.589609880e+00 4.30 -1.541163244e+00 -1.541163244e+00 4.32 -1.494058750e+00 -1.494058750e+00 4.34 -1.448313143e+00 -1.448313143e+00 4.36 -1.403929965e+00 -1.403929965e+00 4.38 -1.360898922e+00 -1.360898922e+00 4.40 -1.319196075e+00 -1.319196075e+00 4.42 -1.278784727e+00 -1.278784727e+00 4.44 -1.239616864e+00 -1.239616864e+00 4.46 -1.201634965e+00 -1.201634965e+00 4.48 -1.164774000e+00 -1.164774000e+00 4.50 -1.128963464e+00 -1.128963464e+00 4.52 -1.094129338e+00 -1.094129338e+00 4.54 -1.060195893e+00 -1.060195893e+00 4.56 -1.027087324e+00 -1.027087324e+00 4.58 -9.947292152e-01 -9.947292152e-01 4.60 -9.630498689e-01 -9.630498689e-01 4.62 -9.319815519e-01 -9.319815519e-01 4.64 -9.014616970e-01 -9.014616970e-01 4.66 -8.714340953e-01 -8.714340953e-01 4.68 -8.418500899e-01 -8.418500899e-01 4.70 -8.126697544e-01 -8.126697544e-01 4.72 -7.838630103e-01 -7.838630103e-01 4.74 -7.554106082e-01 -7.554106082e-01 4.76 -7.273048785e-01 -7.273048785e-01 4.78 -6.995501444e-01 -6.995501444e-01 4.80 -6.721567506e-01 -6.721567506e-01 4.82 -6.451653057e-01 -6.451653057e-01 4.84 -6.186067550e-01 -6.186067550e-01 4.86 -5.925278956e-01 -5.925278956e-01 4.88 -5.669821289e-01 -5.669821289e-01 4.90 -5.420270109e-01 -5.420270109e-01 4.92 -5.177216015e-01 -5.177216015e-01 4.94 -4.941237811e-01 -4.941237811e-01 4.96 -4.712876957e-01 -4.712876957e-01 4.98 -4.492614714e-01 -4.492614714e-01 5.00 -4.280853063e-01 -4.280853063e-01 5.02 -4.077900140e-01 -4.077900140e-01 5.04 -3.883960588e-01 -3.883960588e-01 5.06 -3.699130917e-01 -3.699130917e-01 5.08 -3.523399720e-01 -3.523399720e-01 5.10 -3.356652339e-01 -3.356652339e-01 5.12 -3.198679398e-01 -3.198679398e-01 5.14 -3.049188449e-01 -3.049188449e-01 5.16 -2.907817881e-01 -2.907817881e-01 5.18 -2.774152197e-01 -2.774152197e-01 5.20 -2.647737808e-01 -2.647737808e-01 5.22 -2.528098588e-01 -2.528098588e-01 5.24 -2.414750568e-01 -2.414750568e-01 5.26 -2.307215326e-01 -2.307215326e-01 5.28 -2.205031747e-01 -2.205031747e-01 5.30 -2.107765991e-01 -2.107765991e-01 5.32 -2.015019555e-01 -2.015019555e-01 5.34 -1.926435392e-01 -1.926435392e-01 5.36 -1.841702047e-01 -1.841702047e-01 5.38 -1.760555777e-01 -1.760555777e-01 5.40 -1.682780632e-01 -1.682780632e-01 5.42 -1.608206507e-01 -1.608206507e-01 5.44 -1.536705227e-01 -1.536705227e-01 5.46 -1.468184851e-01 -1.468184851e-01 5.48 -1.402582509e-01 -1.402582509e-01 5.50 -1.339856229e-01 -1.339856229e-01 5.52 -1.279976303e-01 -1.279976303e-01 5.54 -1.222916879e-01 -1.222916879e-01 5.56 -1.168648379e-01 -1.168648379e-01 5.58 -1.117131287e-01 -1.117131287e-01 5.60 -1.068311664e-01 -1.068311664e-01 5.62 -1.022116822e-01 -1.022116822e-01 5.64 -9.784557523e-02 -9.784557523e-02 5.66 -9.372254805e-02 -9.372254805e-02 5.68 -8.983074367e-02 -8.983074367e-02 5.70 -8.615705065e-02 -8.615705065e-02 5.72 -8.268746829e-02 -8.268746829e-02 5.74 -7.940747272e-02 -7.940747272e-02 5.76 -7.630235635e-02 -7.630235635e-02 5.78 -7.335752226e-02 -7.335752226e-02 5.80 -7.055872409e-02 -7.055872409e-02 5.82 -6.789224940e-02 -6.789224940e-02 5.84 -6.534504963e-02 -6.534504963e-02 5.86 -6.290482352e-02 -6.290482352e-02 5.88 -6.056006249e-02 -6.056006249e-02 5.90 -5.830006732e-02 -5.830006732e-02 5.92 -5.611494473e-02 -5.611494473e-02 5.94 -5.399559224e-02 -5.399559224e-02 5.96 -5.193367800e-02 -5.193367800e-02 5.98 -4.992162136e-02 -4.992162136e-02 6.00 -4.795257853e-02 -4.795257853e-02