# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1 # composition = Co2FeTi # 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 2024-03-01 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 -3.555777441e+02 -3.555777441e+02 1.04 -3.361142426e+02 -3.361142426e+02 1.06 -3.181465830e+02 -3.181465830e+02 1.08 -3.016344532e+02 -3.016344532e+02 1.10 -2.865136849e+02 -2.865136849e+02 1.12 -2.724964923e+02 -2.724964923e+02 1.14 -2.589881262e+02 -2.589881262e+02 1.16 -2.455252657e+02 -2.455252657e+02 1.18 -2.321054588e+02 -2.321054588e+02 1.20 -2.189481449e+02 -2.189481449e+02 1.22 -2.064757791e+02 -2.064757791e+02 1.24 -1.951754643e+02 -1.951754643e+02 1.26 -1.851302538e+02 -1.851302538e+02 1.28 -1.759697700e+02 -1.759697700e+02 1.30 -1.674141668e+02 -1.674141668e+02 1.32 -1.595008291e+02 -1.595008291e+02 1.34 -1.523095898e+02 -1.523095898e+02 1.36 -1.457631891e+02 -1.457631891e+02 1.38 -1.396846990e+02 -1.396846990e+02 1.40 -1.338975161e+02 -1.338975161e+02 1.42 -1.283043347e+02 -1.283043347e+02 1.44 -1.228823012e+02 -1.228823012e+02 1.46 -1.175859903e+02 -1.175859903e+02 1.48 -1.123362523e+02 -1.123362523e+02 1.50 -1.070530227e+02 -1.070530227e+02 1.52 -1.016879045e+02 -1.016879045e+02 1.54 -9.623765268e+01 -9.623765268e+01 1.56 -9.072954025e+01 -9.072954025e+01 1.58 -8.522701562e+01 -8.522701562e+01 1.60 -7.984340953e+01 -7.984340953e+01 1.62 -7.467011467e+01 -7.467011467e+01 1.64 -6.970047985e+01 -6.970047985e+01 1.66 -6.485599343e+01 -6.485599343e+01 1.68 -6.004815258e+01 -6.004815258e+01 1.70 -5.523483611e+01 -5.523483611e+01 1.72 -5.042342557e+01 -5.042342557e+01 1.74 -4.563548304e+01 -4.563548304e+01 1.76 -4.092901607e+01 -4.092901607e+01 1.78 -3.637889701e+01 -3.637889701e+01 1.80 -3.206551549e+01 -3.206551549e+01 1.82 -2.806287358e+01 -2.806287358e+01 1.84 -2.440942516e+01 -2.440942516e+01 1.86 -2.108729841e+01 -2.108729841e+01 1.88 -1.803621199e+01 -1.803621199e+01 1.90 -1.519339862e+01 -1.519339862e+01 1.92 -1.251614531e+01 -1.251614531e+01 1.94 -1.002232175e+01 -1.002232175e+01 1.96 -7.833788709e+00 -7.833788709e+00 1.98 -5.917602714e+00 -5.917602714e+00 2.00 -4.280919093e+00 -4.280919093e+00 2.02 -3.159576416e+00 -3.159576416e+00 2.04 -2.465092546e+00 -2.465092546e+00 2.06 -2.073929659e+00 -2.073929659e+00 2.08 -1.890739435e+00 -1.890739435e+00 2.10 -1.848349470e+00 -1.848349470e+00 2.12 -1.903981556e+00 -1.903981556e+00 2.14 -2.032607270e+00 -2.032607270e+00 2.16 -2.217304455e+00 -2.217304455e+00 2.18 -2.441351743e+00 -2.441351743e+00 2.20 -2.684859230e+00 -2.684859230e+00 2.22 -2.928432761e+00 -2.928432761e+00 2.24 -3.158100765e+00 -3.158100765e+00 2.26 -3.364097012e+00 -3.364097012e+00 2.28 -3.541208482e+00 -3.541208482e+00 2.30 -3.687868081e+00 -3.687868081e+00 2.32 -3.805375880e+00 -3.805375880e+00 2.34 -3.898263753e+00 -3.898263753e+00 2.36 -3.971887954e+00 -3.971887954e+00 2.38 -4.031804830e+00 -4.031804830e+00 2.40 -4.084103537e+00 -4.084103537e+00 2.42 -4.134337923e+00 -4.134337923e+00 2.44 -4.182831593e+00 -4.182831593e+00 2.46 -4.228236784e+00 -4.228236784e+00 2.48 -4.269449344e+00 -4.269449344e+00 2.50 -4.305502477e+00 -4.305502477e+00 2.52 -4.334959028e+00 -4.334959028e+00 2.54 -4.357260039e+00 -4.357260039e+00 2.56 -4.372496652e+00 -4.372496652e+00 2.58 -4.380611794e+00 -4.380611794e+00 2.60 -4.381409148e+00 -4.381409148e+00 2.62 -4.374402739e+00 -4.374402739e+00 2.64 -4.359465353e+00 -4.359465353e+00 2.66 -4.337144864e+00 -4.337144864e+00 2.68 -4.307836339e+00 -4.307836339e+00 2.70 -4.271786117e+00 -4.271786117e+00 2.72 -4.229196213e+00 -4.229196213e+00 2.74 -4.180289464e+00 -4.180289464e+00 2.76 -4.125484281e+00 -4.125484281e+00 2.78 -4.065566699e+00 -4.065566699e+00 2.80 -4.001574996e+00 -4.001574996e+00 2.82 -3.934658171e+00 -3.934658171e+00 2.84 -3.865898930e+00 -3.865898930e+00 2.86 -3.796127529e+00 -3.796127529e+00 2.88 -3.725790616e+00 -3.725790616e+00 2.90 -3.655055816e+00 -3.655055816e+00 2.92 -3.583932370e+00 -3.583932370e+00 2.94 -3.512428571e+00 -3.512428571e+00 2.96 -3.440677239e+00 -3.440677239e+00 2.98 -3.368988199e+00 -3.368988199e+00 3.00 -3.297856296e+00 -3.297856296e+00 3.02 -3.227927362e+00 -3.227927362e+00 3.04 -3.159951284e+00 -3.159951284e+00 3.06 -3.094692270e+00 -3.094692270e+00 3.08 -3.032745560e+00 -3.032745560e+00 3.10 -2.974553202e+00 -2.974553202e+00 3.12 -2.920550424e+00 -2.920550424e+00 3.14 -2.870674825e+00 -2.870674825e+00 3.16 -2.819297923e+00 -2.819297923e+00 3.18 -2.757592382e+00 -2.757592382e+00 3.20 -2.677499008e+00 -2.677499008e+00 3.22 -2.571886894e+00 -2.571886894e+00 3.24 -2.434971255e+00 -2.434971255e+00 3.26 -2.262981606e+00 -2.262981606e+00 3.28 -2.054778436e+00 -2.054778436e+00 3.30 -1.814045358e+00 -1.814045358e+00 3.32 -1.659770104e+00 -1.659770104e+00 3.34 -1.600222166e+00 -1.600222166e+00 3.36 -1.542496567e+00 -1.542496567e+00 3.38 -1.486833414e+00 -1.486833414e+00 3.40 -1.433371170e+00 -1.433371170e+00 3.42 -1.382152771e+00 -1.382152771e+00 3.44 -1.333150124e+00 -1.333150124e+00 3.46 -1.286254265e+00 -1.286254265e+00 3.48 -1.241324319e+00 -1.241324319e+00 3.50 -1.198250519e+00 -1.198250519e+00 3.52 -1.156948663e+00 -1.156948663e+00 3.54 -1.117345340e+00 -1.117345340e+00 3.56 -1.079374599e+00 -1.079374599e+00 3.58 -1.042978173e+00 -1.042978173e+00 3.60 -1.008098348e+00 -1.008098348e+00 3.62 -9.746751073e-01 -9.746751073e-01 3.64 -9.426430923e-01 -9.426430923e-01 3.66 -9.119266484e-01 -9.119266484e-01 3.68 -8.824514995e-01 -8.824514995e-01 3.70 -8.541465974e-01 -8.541465974e-01 3.72 -8.269355771e-01 -8.269355771e-01 3.74 -8.007150787e-01 -8.007150787e-01 3.76 -7.753811913e-01 -7.753811913e-01 3.78 -7.508357450e-01 -7.508357450e-01 3.80 -7.269865052e-01 -7.269865052e-01 3.82 -7.037474483e-01 -7.037474483e-01 3.84 -6.810388108e-01 -6.810388108e-01 3.86 -6.587874828e-01 -6.587874828e-01 3.88 -6.369316017e-01 -6.369316017e-01 3.90 -6.154156675e-01 -6.154156675e-01 3.92 -5.941869823e-01 -5.941869823e-01 3.94 -5.732040031e-01 -5.732040031e-01 3.96 -5.524450781e-01 -5.524450781e-01 3.98 -5.318950225e-01 -5.318950225e-01 4.00 -5.115432696e-01 -5.115432696e-01 4.02 -4.913887703e-01 -4.913887703e-01 4.04 -4.714490922e-01 -4.714490922e-01 4.06 -4.517477999e-01 -4.517477999e-01 4.08 -4.323168328e-01 -4.323168328e-01 4.10 -4.131974595e-01 -4.131974595e-01 4.12 -3.944332304e-01 -3.944332304e-01 4.14 -3.760760384e-01 -3.760760384e-01 4.16 -3.581894819e-01 -3.581894819e-01 4.18 -3.408380963e-01 -3.408380963e-01 4.20 -3.240904541e-01 -3.240904541e-01 4.22 -3.080385208e-01 -3.080385208e-01 4.24 -2.927804255e-01 -2.927804255e-01 4.26 -2.784111639e-01 -2.784111639e-01 4.28 -2.650118590e-01 -2.650118590e-01 4.30 -2.526178826e-01 -2.526178826e-01 4.32 -2.412463603e-01 -2.412463603e-01 4.34 -2.309062588e-01 -2.309062588e-01 4.36 -2.215955728e-01 -2.215955728e-01 4.38 -2.133026343e-01 -2.133026343e-01 4.40 -2.060063598e-01 -2.060063598e-01 4.42 -1.996769756e-01 -1.996769756e-01 4.44 -1.942754165e-01 -1.942754165e-01 4.46 -1.897535171e-01 -1.897535171e-01 4.48 -1.860543169e-01 -1.860543169e-01 4.50 -1.831124653e-01 -1.831124653e-01 4.52 -1.808513612e-01 -1.808513612e-01 4.54 -1.791643326e-01 -1.791643326e-01 4.56 -1.779442240e-01 -1.779442240e-01 4.58 -1.770899648e-01 -1.770899648e-01 4.60 -1.765070876e-01 -1.765070876e-01 4.62 -1.761112663e-01 -1.761112663e-01 4.64 -1.758314671e-01 -1.758314671e-01 4.66 -1.756115624e-01 -1.756115624e-01 4.68 -1.754104474e-01 -1.754104474e-01 4.70 -1.752023196e-01 -1.752023196e-01 4.72 -1.749779614e-01 -1.749779614e-01 4.74 -1.747339943e-01 -1.747339943e-01 4.76 -1.744668902e-01 -1.744668902e-01 4.78 -1.741698003e-01 -1.741698003e-01 4.80 -1.738290554e-01 -1.738290554e-01 4.82 -1.734184292e-01 -1.734184292e-01 4.84 -1.729041937e-01 -1.729041937e-01 4.86 -1.722470865e-01 -1.722470865e-01 4.88 -1.714043966e-01 -1.714043966e-01 4.90 -1.703319621e-01 -1.703319621e-01 4.92 -1.689853634e-01 -1.689853634e-01 4.94 -1.673209369e-01 -1.673209369e-01 4.96 -1.653085352e-01 -1.653085352e-01 4.98 -1.629721770e-01 -1.629721770e-01 5.00 -1.603225856e-01 -1.603225856e-01 5.02 -1.573485193e-01 -1.573485193e-01 5.04 -1.540396632e-01 -1.540396632e-01 5.06 -1.503766328e-01 -1.503766328e-01 5.08 -1.463272694e-01 -1.463272694e-01 5.10 -1.418493084e-01 -1.418493084e-01 5.12 -1.368980500e-01 -1.368980500e-01 5.14 -1.314347882e-01 -1.314347882e-01 5.16 -1.254345378e-01 -1.254345378e-01 5.18 -1.188931150e-01 -1.188931150e-01 5.20 -1.118326782e-01 -1.118326782e-01 5.22 -1.043029554e-01 -1.043029554e-01 5.24 -9.638043774e-02 -9.638043774e-02 5.26 -8.816541512e-02 -8.816541512e-02 5.28 -7.977452839e-02 -7.977452839e-02 5.30 -7.133370448e-02 -7.133370448e-02 5.32 -6.297136848e-02 -6.297136848e-02 5.34 -5.481341980e-02 -5.481341980e-02 5.36 -4.697908504e-02 -4.697908504e-02 5.38 -3.957845144e-02 -3.957845144e-02 5.40 -3.270976919e-02 -3.270976919e-02 5.42 -2.645672567e-02 -2.645672567e-02 5.44 -2.088468984e-02 -2.088468984e-02 5.46 -1.603637276e-02 -1.603637276e-02 5.48 -1.192828867e-02 -1.192828867e-02 5.50 -8.548648768e-03 -8.548648768e-03 5.52 -5.857930210e-03 -5.857930210e-03 5.54 -3.792307129e-03 -3.792307129e-03 5.56 -2.275905733e-03 -2.275905733e-03 5.58 -1.219933397e-03 -1.219933397e-03 5.60 -5.313765770e-04 -5.313765770e-04 5.62 -1.215487685e-04 -1.215487685e-04 5.64 8.886098780e-05 8.886098780e-05 5.66 1.671979014e-04 1.671979014e-04 5.68 1.673247059e-04 1.673247059e-04 5.70 1.296789622e-04 1.296789622e-04 5.72 8.215872861e-05 8.215872861e-05 5.74 4.140857745e-05 4.140857745e-05 5.76 1.482379916e-05 1.482379916e-05 5.78 2.631337281e-06 2.631337281e-06 5.80 -1.098765546e-08 -1.103577866e-08 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