# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Plummer-G-Rathod-H-Srivastava-A-et-al--Ti-Al-C # implementation = 2021--Plummer-G--Ti-Al-C--LAMMPS--ipr1 # composition = AlC2Ti # 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 2022-05-24 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 7.303656093e+02 7.303656093e+02 0.88 6.720936118e+02 6.720936118e+02 0.90 6.166986779e+02 6.166986779e+02 0.92 5.655428978e+02 5.655428978e+02 0.94 5.194511939e+02 5.194511939e+02 0.96 4.789515827e+02 4.789515827e+02 0.98 4.451153093e+02 4.451153093e+02 1.00 4.146559208e+02 4.146559208e+02 1.02 3.861590799e+02 3.861590799e+02 1.04 3.579121467e+02 3.579121467e+02 1.06 3.304504763e+02 3.304504763e+02 1.08 3.046474546e+02 3.046474546e+02 1.10 2.807263051e+02 2.807263051e+02 1.12 2.588035294e+02 2.588035294e+02 1.14 2.394074430e+02 2.394074430e+02 1.16 2.235549382e+02 2.235549382e+02 1.18 2.101004115e+02 2.101004115e+02 1.20 1.971067298e+02 1.971067298e+02 1.22 1.845009333e+02 1.845009333e+02 1.24 1.722379641e+02 1.722379641e+02 1.26 1.602479958e+02 1.602479958e+02 1.28 1.485649368e+02 1.485649368e+02 1.30 1.376518919e+02 1.376518919e+02 1.32 1.285925877e+02 1.285925877e+02 1.34 1.205039561e+02 1.205039561e+02 1.36 1.117447036e+02 1.117447036e+02 1.38 1.024863035e+02 1.024863035e+02 1.40 9.303188551e+01 9.303188551e+01 1.42 8.366613432e+01 8.366613432e+01 1.44 7.456374011e+01 7.456374011e+01 1.46 6.557886496e+01 6.557886496e+01 1.48 5.642906498e+01 5.642906498e+01 1.50 4.702483157e+01 4.702483157e+01 1.52 3.966046311e+01 3.966046311e+01 1.54 3.693310482e+01 3.693310482e+01 1.56 3.454252669e+01 3.454252669e+01 1.58 3.229251482e+01 3.229251482e+01 1.60 3.017637746e+01 3.017637746e+01 1.62 2.814669117e+01 2.814669117e+01 1.64 2.614094273e+01 2.614094273e+01 1.66 2.415764612e+01 2.415764612e+01 1.68 2.218816980e+01 2.218816980e+01 1.70 2.021394057e+01 2.021394057e+01 1.72 1.820626211e+01 1.820626211e+01 1.74 1.612701637e+01 1.612701637e+01 1.76 1.392714812e+01 1.392714812e+01 1.78 1.155367461e+01 1.155367461e+01 1.80 8.985451068e+00 8.985451068e+00 1.82 6.318928445e+00 6.318928445e+00 1.84 3.923318686e+00 3.923318686e+00 1.86 2.457269508e+00 2.457269508e+00 1.88 1.806101531e+00 1.806101531e+00 1.90 1.210282997e+00 1.210282997e+00 1.92 6.589684265e-01 6.589684265e-01 1.94 1.466283480e-01 1.466283480e-01 1.96 -3.290496708e-01 -3.290496708e-01 1.98 -7.701811608e-01 -7.701811608e-01 2.00 -1.178766162e+00 -1.178766162e+00 2.02 -1.556487411e+00 -1.556487411e+00 2.04 -1.903968399e+00 -1.903968399e+00 2.06 -2.222006318e+00 -2.222006318e+00 2.08 -2.511498450e+00 -2.511498450e+00 2.10 -2.773450290e+00 -2.773450290e+00 2.12 -3.009379864e+00 -3.009379864e+00 2.14 -3.222971866e+00 -3.222971866e+00 2.16 -3.415654714e+00 -3.415654714e+00 2.18 -3.588558499e+00 -3.588558499e+00 2.20 -3.743054843e+00 -3.743054843e+00 2.22 -3.880726704e+00 -3.880726704e+00 2.24 -4.003315280e+00 -4.003315280e+00 2.26 -4.112268884e+00 -4.112268884e+00 2.28 -4.205878139e+00 -4.205878139e+00 2.30 -4.283901118e+00 -4.283901118e+00 2.32 -4.346828705e+00 -4.346828705e+00 2.34 -4.395260181e+00 -4.395260181e+00 2.36 -4.429844804e+00 -4.429844804e+00 2.38 -4.451234270e+00 -4.451234270e+00 2.40 -4.457143376e+00 -4.457143376e+00 2.42 -4.446640307e+00 -4.446640307e+00 2.44 -4.421432754e+00 -4.421432754e+00 2.46 -4.383526501e+00 -4.383526501e+00 2.48 -4.335230051e+00 -4.335230051e+00 2.50 -4.280021626e+00 -4.280021626e+00 2.52 -4.220726742e+00 -4.220726742e+00 2.54 -4.159723054e+00 -4.159723054e+00 2.56 -4.095111621e+00 -4.095111621e+00 2.58 -4.016651173e+00 -4.016651173e+00 2.60 -3.918647075e+00 -3.918647075e+00 2.62 -3.796288548e+00 -3.796288548e+00 2.64 -3.646130764e+00 -3.646130764e+00 2.66 -3.466772139e+00 -3.466772139e+00 2.68 -3.259501985e+00 -3.259501985e+00 2.70 -3.028820047e+00 -3.028820047e+00 2.72 -2.782680418e+00 -2.782680418e+00 2.74 -2.532268923e+00 -2.532268923e+00 2.76 -2.289974580e+00 -2.289974580e+00 2.78 -2.057785626e+00 -2.057785626e+00 2.80 -1.836034003e+00 -1.836034003e+00 2.82 -1.627752964e+00 -1.627752964e+00 2.84 -1.438470958e+00 -1.438470958e+00 2.86 -1.272897925e+00 -1.272897925e+00 2.88 -1.134656252e+00 -1.134656252e+00 2.90 -1.026075986e+00 -1.026075986e+00 2.92 -9.480110618e-01 -9.480110618e-01 2.94 -8.815690144e-01 -8.815690144e-01 2.96 -8.125382856e-01 -8.125382856e-01 2.98 -7.417123531e-01 -7.417123531e-01 3.00 -6.699108218e-01 -6.699108218e-01 3.02 -5.979736958e-01 -5.979736958e-01 3.04 -5.267542171e-01 -5.267542171e-01 3.06 -4.571099831e-01 -4.571099831e-01 3.08 -3.898920866e-01 -3.898920866e-01 3.10 -3.259320921e-01 -3.259320921e-01 3.12 -2.660267943e-01 -2.660267943e-01 3.14 -2.109208991e-01 -2.109208991e-01 3.16 -1.612880317e-01 -1.612880317e-01 3.18 -1.177107931e-01 -1.177107931e-01 3.20 -8.066092195e-02 -8.066092195e-02 3.22 -5.048092862e-02 -5.048092862e-02 3.24 -2.736876990e-02 -2.736876990e-02 3.26 -1.136717589e-02 -1.136717589e-02 3.28 -2.359054120e-03 -2.359054120e-03 3.30 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00