# 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 = Co2PtTi # 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 2.337204358e+02 2.337204358e+02 1.30 2.164579783e+02 2.164579783e+02 1.32 2.004367831e+02 2.004367831e+02 1.34 1.855616197e+02 1.855616197e+02 1.36 1.717489348e+02 1.717489348e+02 1.38 1.589201258e+02 1.589201258e+02 1.40 1.469981848e+02 1.469981848e+02 1.42 1.359086195e+02 1.359086195e+02 1.44 1.255824424e+02 1.255824424e+02 1.46 1.159591547e+02 1.159591547e+02 1.48 1.069876964e+02 1.069876964e+02 1.50 9.862441253e+01 9.862441253e+01 1.52 9.082956417e+01 9.082956417e+01 1.54 8.356459354e+01 8.356459354e+01 1.56 7.679106185e+01 7.679106185e+01 1.58 7.047101345e+01 7.047101345e+01 1.60 6.456801759e+01 6.456801759e+01 1.62 5.904827545e+01 5.904827545e+01 1.64 5.388158477e+01 5.388158477e+01 1.66 4.904202791e+01 4.904202791e+01 1.68 4.450806894e+01 4.450806894e+01 1.70 4.026186858e+01 4.026186858e+01 1.72 3.628806338e+01 3.628806338e+01 1.74 3.258116795e+01 3.258116795e+01 1.76 2.917993786e+01 2.917993786e+01 1.78 2.606960773e+01 2.606960773e+01 1.80 2.322511206e+01 2.322511206e+01 1.82 2.062300274e+01 2.062300274e+01 1.84 1.824193041e+01 1.824193041e+01 1.86 1.606268294e+01 1.606268294e+01 1.88 1.406793370e+01 1.406793370e+01 1.90 1.224193737e+01 1.224193737e+01 1.92 1.057032420e+01 1.057032420e+01 1.94 9.040025334e+00 9.040025334e+00 1.96 7.639264539e+00 7.639264539e+00 1.98 6.357518448e+00 6.357518448e+00 2.00 5.185383319e+00 5.185383319e+00 2.02 4.114373612e+00 4.114373612e+00 2.04 3.136731303e+00 3.136731303e+00 2.06 2.245299561e+00 2.245299561e+00 2.08 1.433457011e+00 1.433457011e+00 2.10 6.950779462e-01 6.950779462e-01 2.12 2.449241031e-02 2.449241031e-02 2.14 -5.835570392e-01 -5.835570392e-01 2.16 -1.133947678e+00 -1.133947678e+00 2.18 -1.631189821e+00 -1.631189821e+00 2.20 -2.079429340e+00 -2.079429340e+00 2.22 -2.482457802e+00 -2.482457802e+00 2.24 -2.843740707e+00 -2.843740707e+00 2.26 -3.166459807e+00 -3.166459807e+00 2.28 -3.453555616e+00 -3.453555616e+00 2.30 -3.707757590e+00 -3.707757590e+00 2.32 -3.931599232e+00 -3.931599232e+00 2.34 -4.127424105e+00 -4.127424105e+00 2.36 -4.297394224e+00 -4.297394224e+00 2.38 -4.443507363e+00 -4.443507363e+00 2.40 -4.567623754e+00 -4.567623754e+00 2.42 -4.671496550e+00 -4.671496550e+00 2.44 -4.756819399e+00 -4.756819399e+00 2.46 -4.826342248e+00 -4.826342248e+00 2.48 -4.881941929e+00 -4.881941929e+00 2.50 -4.924727608e+00 -4.924727608e+00 2.52 -4.955840938e+00 -4.955840938e+00 2.54 -4.976434393e+00 -4.976434393e+00 2.56 -4.987652847e+00 -4.987652847e+00 2.58 -4.990622678e+00 -4.990622678e+00 2.60 -4.986273396e+00 -4.986273396e+00 2.62 -4.975444088e+00 -4.975444088e+00 2.64 -4.958849470e+00 -4.958849470e+00 2.66 -4.936940662e+00 -4.936940662e+00 2.68 -4.910063087e+00 -4.910063087e+00 2.70 -4.878483339e+00 -4.878483339e+00 2.72 -4.842407871e+00 -4.842407871e+00 2.74 -4.801940492e+00 -4.801940492e+00 2.76 -4.757146330e+00 -4.757146330e+00 2.78 -4.708114598e+00 -4.708114598e+00 2.80 -4.654936404e+00 -4.654936404e+00 2.82 -4.597654697e+00 -4.597654697e+00 2.84 -4.536345727e+00 -4.536345727e+00 2.86 -4.471138319e+00 -4.471138319e+00 2.88 -4.402217581e+00 -4.402217581e+00 2.90 -4.329830633e+00 -4.329830633e+00 2.92 -4.254291878e+00 -4.254291878e+00 2.94 -4.175984847e+00 -4.175984847e+00 2.96 -4.095357852e+00 -4.095357852e+00 2.98 -4.012911499e+00 -4.012911499e+00 3.00 -3.929177677e+00 -3.929177677e+00 3.02 -3.844691534e+00 -3.844691534e+00 3.04 -3.759959971e+00 -3.759959971e+00 3.06 -3.675431923e+00 -3.675431923e+00 3.08 -3.591474768e+00 -3.591474768e+00 3.10 -3.508362085e+00 -3.508362085e+00 3.12 -3.426273283e+00 -3.426273283e+00 3.14 -3.345304349e+00 -3.345304349e+00 3.16 -3.265485382e+00 -3.265485382e+00 3.18 -3.186806913e+00 -3.186806913e+00 3.20 -3.109293926e+00 -3.109293926e+00 3.22 -3.032979066e+00 -3.032979066e+00 3.24 -2.957870839e+00 -2.957870839e+00 3.26 -2.883966278e+00 -2.883966278e+00 3.28 -2.811259235e+00 -2.811259235e+00 3.30 -2.739744937e+00 -2.739744937e+00 3.32 -2.669422072e+00 -2.669422072e+00 3.34 -2.600293339e+00 -2.600293339e+00 3.36 -2.532365167e+00 -2.532365167e+00 3.38 -2.465647071e+00 -2.465647071e+00 3.40 -2.400150962e+00 -2.400150962e+00 3.42 -2.335890685e+00 -2.335890685e+00 3.44 -2.272881672e+00 -2.272881672e+00 3.46 -2.211140978e+00 -2.211140978e+00 3.48 -2.150687332e+00 -2.150687332e+00 3.50 -2.091541045e+00 -2.091541045e+00 3.52 -2.033723447e+00 -2.033723447e+00 3.54 -1.977255601e+00 -1.977255601e+00 3.56 -1.922156188e+00 -1.922156188e+00 3.58 -1.868438737e+00 -1.868438737e+00 3.60 -1.816108651e+00 -1.816108651e+00 3.62 -1.765160657e+00 -1.765160657e+00 3.64 -1.715577265e+00 -1.715577265e+00 3.66 -1.667328605e+00 -1.667328605e+00 3.68 -1.620373649e+00 -1.620373649e+00 3.70 -1.574662529e+00 -1.574662529e+00 3.72 -1.530139460e+00 -1.530139460e+00 3.74 -1.486745773e+00 -1.486745773e+00 3.76 -1.444422627e+00 -1.444422627e+00 3.78 -1.403113153e+00 -1.403113153e+00 3.80 -1.362763897e+00 -1.362763897e+00 3.82 -1.323325575e+00 -1.323325575e+00 3.84 -1.284753242e+00 -1.284753242e+00 3.86 -1.247006005e+00 -1.247006005e+00 3.88 -1.210046454e+00 -1.210046454e+00 3.90 -1.173839968e+00 -1.173839968e+00 3.92 -1.138354033e+00 -1.138354033e+00 3.94 -1.103557791e+00 -1.103557791e+00 3.96 -1.069421676e+00 -1.069421676e+00 3.98 -1.035917536e+00 -1.035917536e+00 4.00 -1.003019014e+00 -1.003019014e+00 4.02 -9.707023083e-01 -9.707023083e-01 4.04 -9.389472451e-01 -9.389472451e-01 4.06 -9.077385934e-01 -9.077385934e-01 4.08 -8.770675004e-01 -8.770675004e-01 4.10 -8.469328220e-01 -8.469328220e-01 4.12 -8.173425070e-01 -8.173425070e-01 4.14 -7.883138886e-01 -7.883138886e-01 4.16 -7.598739602e-01 -7.598739602e-01 4.18 -7.320584870e-01 -7.320584870e-01 4.20 -7.049103068e-01 -7.049103068e-01 4.22 -6.784768040e-01 -6.784768040e-01 4.24 -6.528067375e-01 -6.528067375e-01 4.26 -6.279467089e-01 -6.279467089e-01 4.28 -6.039376207e-01 -6.039376207e-01 4.30 -5.808114823e-01 -5.808114823e-01 4.32 -5.585888778e-01 -5.585888778e-01 4.34 -5.372773181e-01 -5.372773181e-01 4.36 -5.168705862e-01 -5.168705862e-01 4.38 -4.973490597e-01 -4.973490597e-01 4.40 -4.786808855e-01 -4.786808855e-01 4.42 -4.608237974e-01 -4.608237974e-01 4.44 -4.437273261e-01 -4.437273261e-01 4.46 -4.273351503e-01 -4.273351503e-01 4.48 -4.115873766e-01 -4.115873766e-01 4.50 -3.964225942e-01 -3.964225942e-01 4.52 -3.817796207e-01 -3.817796207e-01 4.54 -3.675989192e-01 -3.675989192e-01 4.56 -3.538237138e-01 -3.538237138e-01 4.58 -3.404008614e-01 -3.404008614e-01 4.60 -3.272815514e-01 -3.272815514e-01 4.62 -3.144219009e-01 -3.144219009e-01 4.64 -3.017835036e-01 -3.017835036e-01 4.66 -2.893339673e-01 -2.893339673e-01 4.68 -2.770474543e-01 -2.770474543e-01 4.70 -2.649052115e-01 -2.649052115e-01 4.72 -2.528960546e-01 -2.528960546e-01 4.74 -2.410167469e-01 -2.410167469e-01 4.76 -2.292722031e-01 -2.292722031e-01 4.78 -2.176754392e-01 -2.176754392e-01 4.80 -2.062471582e-01 -2.062471582e-01 4.82 -1.950151821e-01 -1.950151821e-01 4.84 -1.840130439e-01 -1.840130439e-01 4.86 -1.732786836e-01 -1.732786836e-01 4.88 -1.628526024e-01 -1.628526024e-01 4.90 -1.527758758e-01 -1.527758758e-01 4.92 -1.430881067e-01 -1.430881067e-01 4.94 -1.338254637e-01 -1.338254637e-01 4.96 -1.250189433e-01 -1.250189433e-01 4.98 -1.166929738e-01 -1.166929738e-01 5.00 -1.088644461e-01 -1.088644461e-01 5.02 -1.015422169e-01 -1.015422169e-01 5.04 -9.472708298e-02 -9.472708298e-02 5.06 -8.841218778e-02 -8.841218778e-02 5.08 -8.258367262e-02 -8.258367262e-02 5.10 -7.722181452e-02 -7.722181452e-02 5.12 -7.230252298e-02 -7.230252298e-02 5.14 -6.779822426e-02 -6.779822426e-02 5.16 -6.367908149e-02 -6.367908149e-02 5.18 -5.991432701e-02 -5.991432701e-02 5.20 -5.647338322e-02 -5.647338322e-02 5.22 -5.332517532e-02 -5.332517532e-02 5.24 -5.044001071e-02 -5.044001071e-02 5.26 -4.779003748e-02 -4.779003748e-02 5.28 -4.534942938e-02 -4.534942938e-02 5.30 -4.309446842e-02 -4.309446842e-02 5.32 -4.100354609e-02 -4.100354609e-02 5.34 -3.905710338e-02 -3.905710338e-02 5.36 -3.723752799e-02 -3.723752799e-02 5.38 -3.552902458e-02 -3.552902458e-02 5.40 -3.391747128e-02 -3.391747128e-02 5.42 -3.239027306e-02 -3.239027306e-02 5.44 -3.093622023e-02 -3.093622023e-02 5.46 -2.954535794e-02 -2.954535794e-02 5.48 -2.820887113e-02 -2.820887113e-02 5.50 -2.691898754e-02 -2.691898754e-02 5.52 -2.566890033e-02 -2.566890033e-02 5.54 -2.445271057e-02 -2.445271057e-02 5.56 -2.326538887e-02 -2.326538887e-02 5.58 -2.210275386e-02 -2.210275386e-02 5.60 -2.096146515e-02 -2.096146515e-02 5.62 -1.983902603e-02 -1.983902603e-02 5.64 -1.873379037e-02 -1.873379037e-02 5.66 -1.764496723e-02 -1.764496723e-02 5.68 -1.657261560e-02 -1.657261560e-02 5.70 -1.551762183e-02 -1.551762183e-02 5.72 -1.448165240e-02 -1.448165240e-02 5.74 -1.346707663e-02 -1.346707663e-02 5.76 -1.247685610e-02 -1.247685610e-02 5.78 -1.151431640e-02 -1.151431640e-02 5.80 -1.058309017e-02 -1.058309017e-02 5.82 -9.687006133e-03 -9.687006133e-03 5.84 -8.829772916e-03 -8.829772916e-03 5.86 -8.014785467e-03 -8.014785467e-03 5.88 -7.244952531e-03 -7.244952531e-03 5.90 -6.522557745e-03 -6.522557745e-03 5.92 -5.849163547e-03 -5.849163547e-03 5.94 -5.225562483e-03 -5.225562483e-03 5.96 -4.651775606e-03 -4.651775606e-03 5.98 -4.127093222e-03 -4.127093222e-03 6.00 -3.650149890e-03 -3.650149890e-03