# 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 = CuNi2Pt # 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 1.597709985e+02 1.597709985e+02 1.30 1.473521485e+02 1.473521485e+02 1.32 1.358316496e+02 1.358316496e+02 1.34 1.251506045e+02 1.251506045e+02 1.36 1.152548750e+02 1.152548750e+02 1.38 1.060882390e+02 1.060882390e+02 1.40 9.759041465e+01 9.759041465e+01 1.42 8.970019639e+01 8.970019639e+01 1.44 8.236040966e+01 8.236040966e+01 1.46 7.552194305e+01 7.552194305e+01 1.48 6.914538930e+01 6.914538930e+01 1.50 6.319975594e+01 6.319975594e+01 1.52 5.765892799e+01 5.765892799e+01 1.54 5.249774739e+01 5.249774739e+01 1.56 4.768969534e+01 4.768969534e+01 1.58 4.320679939e+01 4.320679939e+01 1.60 3.902093265e+01 3.902093265e+01 1.62 3.510544287e+01 3.510544287e+01 1.64 3.144786434e+01 3.144786434e+01 1.66 2.808325203e+01 2.808325203e+01 1.68 2.499650083e+01 2.499650083e+01 1.70 2.216857425e+01 2.216857425e+01 1.72 1.958346112e+01 1.958346112e+01 1.74 1.722624456e+01 1.722624456e+01 1.76 1.508156564e+01 1.508156564e+01 1.78 1.313312267e+01 1.313312267e+01 1.80 1.136418154e+01 1.136418154e+01 1.82 9.758455907e+00 9.758455907e+00 1.84 8.300743105e+00 8.300743105e+00 1.86 6.977125914e+00 6.977125914e+00 1.88 5.774879360e+00 5.774879360e+00 1.90 4.682312382e+00 4.682312382e+00 1.92 3.688704317e+00 3.688704317e+00 1.94 2.784365571e+00 2.784365571e+00 1.96 1.960750148e+00 1.960750148e+00 1.98 1.210518147e+00 1.210518147e+00 2.00 5.274787717e-01 5.274787717e-01 2.02 -9.358889831e-02 -9.358889831e-02 2.04 -6.571790696e-01 -6.571790696e-01 2.06 -1.167290939e+00 -1.167290939e+00 2.08 -1.627601152e+00 -1.627601152e+00 2.10 -2.041567651e+00 -2.041567651e+00 2.12 -2.412478146e+00 -2.412478146e+00 2.14 -2.743462072e+00 -2.743462072e+00 2.16 -3.037484372e+00 -3.037484372e+00 2.18 -3.297337991e+00 -3.297337991e+00 2.20 -3.525646840e+00 -3.525646840e+00 2.22 -3.724881375e+00 -3.724881375e+00 2.24 -3.897380494e+00 -3.897380494e+00 2.26 -4.045372506e+00 -4.045372506e+00 2.28 -4.170993241e+00 -4.170993241e+00 2.30 -4.276302546e+00 -4.276302546e+00 2.32 -4.363715641e+00 -4.363715641e+00 2.34 -4.436500054e+00 -4.436500054e+00 2.36 -4.496078104e+00 -4.496078104e+00 2.38 -4.543648634e+00 -4.543648634e+00 2.40 -4.580312109e+00 -4.580312109e+00 2.42 -4.607041353e+00 -4.607041353e+00 2.44 -4.624684523e+00 -4.624684523e+00 2.46 -4.633993765e+00 -4.633993765e+00 2.48 -4.635665189e+00 -4.635665189e+00 2.50 -4.630370361e+00 -4.630370361e+00 2.52 -4.618783763e+00 -4.618783763e+00 2.54 -4.601583804e+00 -4.601583804e+00 2.56 -4.579432339e+00 -4.579432339e+00 2.58 -4.552942333e+00 -4.552942333e+00 2.60 -4.522647633e+00 -4.522647633e+00 2.62 -4.489123194e+00 -4.489123194e+00 2.64 -4.452579119e+00 -4.452579119e+00 2.66 -4.412815290e+00 -4.412815290e+00 2.68 -4.369707583e+00 -4.369707583e+00 2.70 -4.323219027e+00 -4.323219027e+00 2.72 -4.273397833e+00 -4.273397833e+00 2.74 -4.220365797e+00 -4.220365797e+00 2.76 -4.164296650e+00 -4.164296650e+00 2.78 -4.105390909e+00 -4.105390909e+00 2.80 -4.043865449e+00 -4.043865449e+00 2.82 -3.979918081e+00 -3.979918081e+00 2.84 -3.913712651e+00 -3.913712651e+00 2.86 -3.845388682e+00 -3.845388682e+00 2.88 -3.775081669e+00 -3.775081669e+00 2.90 -3.702947912e+00 -3.702947912e+00 2.92 -3.629187124e+00 -3.629187124e+00 2.94 -3.554056819e+00 -3.554056819e+00 2.96 -3.477874224e+00 -3.477874224e+00 2.98 -3.401004205e+00 -3.401004205e+00 3.00 -3.323835174e+00 -3.323835174e+00 3.02 -3.246748290e+00 -3.246748290e+00 3.04 -3.170087212e+00 -3.170087212e+00 3.06 -3.094157711e+00 -3.094157711e+00 3.08 -3.019290710e+00 -3.019290710e+00 3.10 -2.945732403e+00 -2.945732403e+00 3.12 -2.873622471e+00 -2.873622471e+00 3.14 -2.803020802e+00 -2.803020802e+00 3.16 -2.733933262e+00 -2.733933262e+00 3.18 -2.666333144e+00 -2.666333144e+00 3.20 -2.600177015e+00 -2.600177015e+00 3.22 -2.535415286e+00 -2.535415286e+00 3.24 -2.471998550e+00 -2.471998550e+00 3.26 -2.409880942e+00 -2.409880942e+00 3.28 -2.349021593e+00 -2.349021593e+00 3.30 -2.289384963e+00 -2.289384963e+00 3.32 -2.230940541e+00 -2.230940541e+00 3.34 -2.173662181e+00 -2.173662181e+00 3.36 -2.117527207e+00 -2.117527207e+00 3.38 -2.062515351e+00 -2.062515351e+00 3.40 -2.008607589e+00 -2.008607589e+00 3.42 -1.955784963e+00 -1.955784963e+00 3.44 -1.904027466e+00 -1.904027466e+00 3.46 -1.853313143e+00 -1.853313143e+00 3.48 -1.803617461e+00 -1.803617461e+00 3.50 -1.754913055e+00 -1.754913055e+00 3.52 -1.707169836e+00 -1.707169836e+00 3.54 -1.660355454e+00 -1.660355454e+00 3.56 -1.614436014e+00 -1.614436014e+00 3.58 -1.569376973e+00 -1.569376973e+00 3.60 -1.525144080e+00 -1.525144080e+00 3.62 -1.481704312e+00 -1.481704312e+00 3.64 -1.439026741e+00 -1.439026741e+00 3.66 -1.397083360e+00 -1.397083360e+00 3.68 -1.355849891e+00 -1.355849891e+00 3.70 -1.315306637e+00 -1.315306637e+00 3.72 -1.275439403e+00 -1.275439403e+00 3.74 -1.236240457e+00 -1.236240457e+00 3.76 -1.197709446e+00 -1.197709446e+00 3.78 -1.159854075e+00 -1.159854075e+00 3.80 -1.122690328e+00 -1.122690328e+00 3.82 -1.086241964e+00 -1.086241964e+00 3.84 -1.050539106e+00 -1.050539106e+00 3.86 -1.015615839e+00 -1.015615839e+00 3.88 -9.815069288e-01 -9.815069288e-01 3.90 -9.482439999e-01 -9.482439999e-01 3.92 -9.158516450e-01 -9.158516450e-01 3.94 -8.843440651e-01 -8.843440651e-01 3.96 -8.537227422e-01 -8.537227422e-01 3.98 -8.239755294e-01 -8.239755294e-01 4.00 -7.950772549e-01 -7.950772549e-01 4.02 -7.669917101e-01 -7.669917101e-01 4.04 -7.396746841e-01 -7.396746841e-01 4.06 -7.130775966e-01 -7.130775966e-01 4.08 -6.871512606e-01 -6.871512606e-01 4.10 -6.618493485e-01 -6.618493485e-01 4.12 -6.371312436e-01 -6.371312436e-01 4.14 -6.129639942e-01 -6.129639942e-01 4.16 -5.893233135e-01 -5.893233135e-01 4.18 -5.661935628e-01 -5.661935628e-01 4.20 -5.435668447e-01 -5.435668447e-01 4.22 -5.214414202e-01 -5.214414202e-01 4.24 -4.998197532e-01 -4.998197532e-01 4.26 -4.787065324e-01 -4.787065324e-01 4.28 -4.581070035e-01 -4.581070035e-01 4.30 -4.380258618e-01 -4.380258618e-01 4.32 -4.184668241e-01 -4.184668241e-01 4.34 -3.994328404e-01 -3.994328404e-01 4.36 -3.809267651e-01 -3.809267651e-01 4.38 -3.629522075e-01 -3.629522075e-01 4.40 -3.455142498e-01 -3.455142498e-01 4.42 -3.286197575e-01 -3.286197575e-01 4.44 -3.122771039e-01 -3.122771039e-01 4.46 -2.964952609e-01 -2.964952609e-01 4.48 -2.812823514e-01 -2.812823514e-01 4.50 -2.666438748e-01 -2.666438748e-01 4.52 -2.525808966e-01 -2.525808966e-01 4.54 -2.390885034e-01 -2.390885034e-01 4.56 -2.261547875e-01 -2.261547875e-01 4.58 -2.137605344e-01 -2.137605344e-01 4.60 -2.018796778e-01 -2.018796778e-01 4.62 -1.904804753e-01 -1.904804753e-01 4.64 -1.795272658e-01 -1.795272658e-01 4.66 -1.689826302e-01 -1.689826302e-01 4.68 -1.588097268e-01 -1.588097268e-01 4.70 -1.489745719e-01 -1.489745719e-01 4.72 -1.394481307e-01 -1.394481307e-01 4.74 -1.302087152e-01 -1.302087152e-01 4.76 -1.212411715e-01 -1.212411715e-01 4.78 -1.125387247e-01 -1.125387247e-01 4.80 -1.041032956e-01 -1.041032956e-01 4.82 -9.594452471e-02 -9.594452471e-02 4.84 -8.807846203e-02 -8.807846203e-02 4.86 -8.052581363e-02 -8.052581363e-02 4.88 -7.330988369e-02 -7.330988369e-02 4.90 -6.645439487e-02 -6.645439487e-02 4.92 -5.998138078e-02 -5.998138078e-02 4.94 -5.390933233e-02 -5.390933233e-02 4.96 -4.825174472e-02 -4.825174472e-02 4.98 -4.301615704e-02 -4.301615704e-02 5.00 -3.820371452e-02 -3.820371452e-02 5.02 -3.380922433e-02 -3.380922433e-02 5.04 -2.982162803e-02 -2.982162803e-02 5.06 -2.622478471e-02 -2.622478471e-02 5.08 -2.299844773e-02 -2.299844773e-02 5.10 -2.011932084e-02 -2.011932084e-02 5.12 -1.756210671e-02 -1.756210671e-02 5.14 -1.530047090e-02 -1.530047090e-02 5.16 -1.330783916e-02 -1.330783916e-02 5.18 -1.155776871e-02 -1.155776871e-02 5.20 -1.002542254e-02 -1.002542254e-02 5.22 -8.687384109e-03 -8.687384109e-03 5.24 -7.521752807e-03 -7.521752807e-03 5.26 -6.508335284e-03 -6.508335284e-03 5.28 -5.628729818e-03 -5.628729818e-03 5.30 -4.866330393e-03 -4.866330393e-03 5.32 -4.206273370e-03 -4.206273370e-03 5.34 -3.635345522e-03 -3.635345522e-03 5.36 -3.141868252e-03 -3.141868252e-03 5.38 -2.715569255e-03 -2.715569255e-03 5.40 -2.347449914e-03 -2.347449914e-03 5.42 -2.029654301e-03 -2.029654301e-03 5.44 -1.755343685e-03 -1.755343685e-03 5.46 -1.518579027e-03 -1.518579027e-03 5.48 -1.314212826e-03 -1.314212826e-03 5.50 -1.137790893e-03 -1.137790893e-03 5.52 -9.854640835e-04 -9.854640835e-04 5.54 -8.539096672e-04 -8.539096672e-04 5.56 -7.402617513e-04 -7.402617513e-04 5.58 -6.420500768e-04 -6.420500768e-04 5.60 -5.571464272e-04 -5.571464272e-04 5.62 -4.837178847e-04 -4.837178847e-04 5.64 -4.201861891e-04 -4.201861891e-04 5.66 -3.651924955e-04 -3.651924955e-04 5.68 -3.175668788e-04 -3.175668788e-04 5.70 -2.763019940e-04 -2.763019940e-04 5.72 -2.405303580e-04 -2.405303580e-04 5.74 -2.095047769e-04 -2.095047769e-04 5.76 -1.825815003e-04 -1.825815003e-04 5.78 -1.592057318e-04 -1.592057318e-04 5.80 -1.388991733e-04 -1.388991733e-04 5.82 -1.212493224e-04 -1.212493224e-04 5.84 -1.059002767e-04 -1.059002767e-04 5.86 -9.254483635e-05 -9.254483635e-05 5.88 -8.091771968e-05 -8.091771968e-05 5.90 -7.078973644e-05 -7.078973644e-05 5.92 -6.196278191e-05 -6.196278191e-05 5.94 -5.426553587e-05 -5.426553587e-05 5.96 -4.754976637e-05 -4.754976637e-05 5.98 -4.168715230e-05 -4.168715230e-05 6.00 -3.656655106e-05 -3.656655106e-05