# 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 = CuNiTi2 # 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 1.694264849e+02 1.694264849e+02 1.30 1.560872815e+02 1.560872815e+02 1.32 1.437830218e+02 1.437830218e+02 1.34 1.324253253e+02 1.324253253e+02 1.36 1.219349629e+02 1.219349629e+02 1.38 1.122420241e+02 1.122420241e+02 1.40 1.032840421e+02 1.032840421e+02 1.42 9.500408055e+01 9.500408055e+01 1.44 8.734985021e+01 8.734985021e+01 1.46 8.027336000e+01 8.027336000e+01 1.48 7.373030989e+01 7.373030989e+01 1.50 6.767936591e+01 6.767936591e+01 1.52 6.208186277e+01 6.208186277e+01 1.54 5.690194282e+01 5.690194282e+01 1.56 5.210673934e+01 5.210673934e+01 1.58 4.766635632e+01 4.766635632e+01 1.60 4.355372455e+01 4.355372455e+01 1.62 3.974449735e+01 3.974449735e+01 1.64 3.621689727e+01 3.621689727e+01 1.66 3.295128055e+01 3.295128055e+01 1.68 2.992945356e+01 2.992945356e+01 1.70 2.713408480e+01 2.713408480e+01 1.72 2.454863203e+01 2.454863203e+01 1.74 2.215758368e+01 2.215758368e+01 1.76 1.994613002e+01 1.994613002e+01 1.78 1.790058120e+01 1.790058120e+01 1.80 1.600852113e+01 1.600852113e+01 1.82 1.425877671e+01 1.425877671e+01 1.84 1.264131884e+01 1.264131884e+01 1.86 1.114707677e+01 1.114707677e+01 1.88 9.767673107e+00 9.767673107e+00 1.90 8.495170224e+00 8.495170224e+00 1.92 7.321912526e+00 7.321912526e+00 1.94 6.240509758e+00 6.240509758e+00 1.96 5.243946697e+00 5.243946697e+00 1.98 4.325741569e+00 4.325741569e+00 2.00 3.480043091e+00 3.480043091e+00 2.02 2.701606788e+00 2.701606788e+00 2.04 1.985684634e+00 1.985684634e+00 2.06 1.327910539e+00 1.327910539e+00 2.08 7.242387502e-01 7.242387502e-01 2.10 1.709343185e-01 1.709343185e-01 2.12 -3.354233643e-01 -3.354233643e-01 2.14 -7.979594553e-01 -7.979594553e-01 2.16 -1.219552269e+00 -1.219552269e+00 2.18 -1.602899466e+00 -1.602899466e+00 2.20 -1.950584800e+00 -1.950584800e+00 2.22 -2.265133339e+00 -2.265133339e+00 2.24 -2.549045164e+00 -2.549045164e+00 2.26 -2.804802277e+00 -2.804802277e+00 2.28 -3.034850239e+00 -3.034850239e+00 2.30 -3.241560881e+00 -3.241560881e+00 2.32 -3.427185798e+00 -3.427185798e+00 2.34 -3.593803369e+00 -3.593803369e+00 2.36 -3.743268945e+00 -3.743268945e+00 2.38 -3.877179677e+00 -3.877179677e+00 2.40 -3.996868402e+00 -3.996868402e+00 2.42 -4.103430513e+00 -4.103430513e+00 2.44 -4.197774180e+00 -4.197774180e+00 2.46 -4.280678182e+00 -4.280678182e+00 2.48 -4.352842258e+00 -4.352842258e+00 2.50 -4.414922047e+00 -4.414922047e+00 2.52 -4.467547208e+00 -4.467547208e+00 2.54 -4.511360543e+00 -4.511360543e+00 2.56 -4.547028238e+00 -4.547028238e+00 2.58 -4.574997188e+00 -4.574997188e+00 2.60 -4.595698531e+00 -4.595698531e+00 2.62 -4.609565264e+00 -4.609565264e+00 2.64 -4.617034478e+00 -4.617034478e+00 2.66 -4.618549289e+00 -4.618549289e+00 2.68 -4.614565603e+00 -4.614565603e+00 2.70 -4.605531998e+00 -4.605531998e+00 2.72 -4.591739584e+00 -4.591739584e+00 2.74 -4.573434852e+00 -4.573434852e+00 2.76 -4.550898701e+00 -4.550898701e+00 2.78 -4.524549742e+00 -4.524549742e+00 2.80 -4.494700890e+00 -4.494700890e+00 2.82 -4.461294029e+00 -4.461294029e+00 2.84 -4.424299953e+00 -4.424299953e+00 2.86 -4.383739308e+00 -4.383739308e+00 2.88 -4.339678796e+00 -4.339678796e+00 2.90 -4.292228819e+00 -4.292228819e+00 2.92 -4.241540577e+00 -4.241540577e+00 2.94 -4.187802678e+00 -4.187802678e+00 2.96 -4.131250635e+00 -4.131250635e+00 2.98 -4.072158280e+00 -4.072158280e+00 3.00 -4.010818874e+00 -4.010818874e+00 3.02 -3.947540066e+00 -3.947540066e+00 3.04 -3.882636511e+00 -3.882636511e+00 3.06 -3.816419192e+00 -3.816419192e+00 3.08 -3.749181454e+00 -3.749181454e+00 3.10 -3.681186559e+00 -3.681186559e+00 3.12 -3.612658579e+00 -3.612658579e+00 3.14 -3.543779517e+00 -3.543779517e+00 3.16 -3.474691229e+00 -3.474691229e+00 3.18 -3.405501868e+00 -3.405501868e+00 3.20 -3.336293407e+00 -3.336293407e+00 3.22 -3.267128915e+00 -3.267128915e+00 3.24 -3.198058583e+00 -3.198058583e+00 3.26 -3.129124250e+00 -3.129124250e+00 3.28 -3.060362655e+00 -3.060362655e+00 3.30 -2.991807752e+00 -2.991807752e+00 3.32 -2.923492395e+00 -2.923492395e+00 3.34 -2.855449613e+00 -2.855449613e+00 3.36 -2.787713635e+00 -2.787713635e+00 3.38 -2.720320776e+00 -2.720320776e+00 3.40 -2.653310288e+00 -2.653310288e+00 3.42 -2.586725455e+00 -2.586725455e+00 3.44 -2.520614554e+00 -2.520614554e+00 3.46 -2.455032270e+00 -2.455032270e+00 3.48 -2.390040832e+00 -2.390040832e+00 3.50 -2.325710674e+00 -2.325710674e+00 3.52 -2.262120025e+00 -2.262120025e+00 3.54 -2.199352930e+00 -2.199352930e+00 3.56 -2.137495499e+00 -2.137495499e+00 3.58 -2.076630693e+00 -2.076630693e+00 3.60 -2.016832508e+00 -2.016832508e+00 3.62 -1.958160759e+00 -1.958160759e+00 3.64 -1.900657643e+00 -1.900657643e+00 3.66 -1.844346793e+00 -1.844346793e+00 3.68 -1.789234920e+00 -1.789234920e+00 3.70 -1.735315520e+00 -1.735315520e+00 3.72 -1.682573793e+00 -1.682573793e+00 3.74 -1.630991844e+00 -1.630991844e+00 3.76 -1.580553405e+00 -1.580553405e+00 3.78 -1.531247520e+00 -1.531247520e+00 3.80 -1.483070870e+00 -1.483070870e+00 3.82 -1.436028593e+00 -1.436028593e+00 3.84 -1.390133625e+00 -1.390133625e+00 3.86 -1.345404710e+00 -1.345404710e+00 3.88 -1.301863413e+00 -1.301863413e+00 3.90 -1.259530562e+00 -1.259530562e+00 3.92 -1.218422581e+00 -1.218422581e+00 3.94 -1.178548544e+00 -1.178548544e+00 3.96 -1.139907536e+00 -1.139907536e+00 3.98 -1.102487658e+00 -1.102487658e+00 4.00 -1.066265839e+00 -1.066265839e+00 4.02 -1.031208663e+00 -1.031208663e+00 4.04 -9.972738821e-01 -9.972738821e-01 4.06 -9.644123142e-01 -9.644123142e-01 4.08 -9.325698344e-01 -9.325698344e-01 4.10 -9.016891513e-01 -9.016891513e-01 4.12 -8.717119693e-01 -8.717119693e-01 4.14 -8.425796072e-01 -8.425796072e-01 4.16 -8.142347035e-01 -8.142347035e-01 4.18 -7.866220355e-01 -7.866220355e-01 4.20 -7.596893716e-01 -7.596893716e-01 4.22 -7.333882842e-01 -7.333882842e-01 4.24 -7.076749815e-01 -7.076749815e-01 4.26 -6.825111938e-01 -6.825111938e-01 4.28 -6.578651180e-01 -6.578651180e-01 4.30 -6.337123861e-01 -6.337123861e-01 4.32 -6.100369873e-01 -6.100369873e-01 4.34 -5.868320349e-01 -5.868320349e-01 4.36 -5.641002458e-01 -5.641002458e-01 4.38 -5.418539888e-01 -5.418539888e-01 4.40 -5.201147703e-01 -5.201147703e-01 4.42 -4.989120717e-01 -4.989120717e-01 4.44 -4.782815186e-01 -4.782815186e-01 4.46 -4.582624543e-01 -4.582624543e-01 4.48 -4.388950866e-01 -4.388950866e-01 4.50 -4.202174527e-01 -4.202174527e-01 4.52 -4.022625001e-01 -4.022625001e-01 4.54 -3.850555735e-01 -3.850555735e-01 4.56 -3.686125517e-01 -3.686125517e-01 4.58 -3.529387842e-01 -3.529387842e-01 4.60 -3.380288680e-01 -3.380288680e-01 4.62 -3.238671967e-01 -3.238671967e-01 4.64 -3.104291317e-01 -3.104291317e-01 4.66 -2.976825984e-01 -2.976825984e-01 4.68 -2.855898994e-01 -2.855898994e-01 4.70 -2.741095618e-01 -2.741095618e-01 4.72 -2.631980752e-01 -2.631980752e-01 4.74 -2.528114281e-01 -2.528114281e-01 4.76 -2.429063980e-01 -2.429063980e-01 4.78 -2.334415871e-01 -2.334415871e-01 4.80 -2.243781406e-01 -2.243781406e-01 4.82 -2.156806933e-01 -2.156806933e-01 4.84 -2.073172610e-01 -2.073172610e-01 4.86 -1.992599223e-01 -1.992599223e-01 4.88 -1.914849094e-01 -1.914849094e-01 4.90 -1.839726962e-01 -1.839726962e-01 4.92 -1.767079820e-01 -1.767079820e-01 4.94 -1.696795558e-01 -1.696795558e-01 4.96 -1.628800267e-01 -1.628800267e-01 4.98 -1.563054024e-01 -1.563054024e-01 5.00 -1.499545178e-01 -1.499545178e-01 5.02 -1.438283254e-01 -1.438283254e-01 5.04 -1.379290842e-01 -1.379290842e-01 5.06 -1.322595041e-01 -1.322595041e-01 5.08 -1.268219006e-01 -1.268219006e-01 5.10 -1.216171313e-01 -1.216171313e-01 5.12 -1.166447806e-01 -1.166447806e-01 5.14 -1.119025305e-01 -1.119025305e-01 5.16 -1.073857566e-01 -1.073857566e-01 5.18 -1.030875866e-01 -1.030875866e-01 5.20 -9.899912423e-02 -9.899912423e-02 5.22 -9.510979128e-02 -9.510979128e-02 5.24 -9.140773023e-02 -9.140773023e-02 5.26 -8.788022132e-02 -8.788022132e-02 5.28 -8.451407456e-02 -8.451407456e-02 5.30 -8.129597138e-02 -8.129597138e-02 5.32 -7.821274286e-02 -7.821274286e-02 5.34 -7.525158157e-02 -7.525158157e-02 5.36 -7.240019181e-02 -7.240019181e-02 5.38 -6.964688767e-02 -6.964688767e-02 5.40 -6.698065067e-02 -6.698065067e-02 5.42 -6.439115927e-02 -6.439115927e-02 5.44 -6.186880196e-02 -6.186880196e-02 5.46 -5.940468429e-02 -5.940468429e-02 5.48 -5.699063850e-02 -5.699063850e-02 5.50 -5.461924269e-02 -5.461924269e-02 5.52 -5.228385438e-02 -5.228385438e-02 5.54 -4.997866135e-02 -4.997866135e-02 5.56 -4.769875076e-02 -4.769875076e-02 5.58 -4.544019464e-02 -4.544019464e-02 5.60 -4.320014797e-02 -4.320014797e-02 5.62 -4.097695219e-02 -4.097695219e-02 5.64 -3.877023450e-02 -3.877023450e-02 5.66 -3.658099084e-02 -3.658099084e-02 5.68 -3.441163823e-02 -3.441163823e-02 5.70 -3.226602169e-02 -3.226602169e-02 5.72 -3.014936191e-02 -3.014936191e-02 5.74 -2.806813251e-02 -2.806813251e-02 5.76 -2.602986150e-02 -2.602986150e-02 5.78 -2.404285869e-02 -2.404285869e-02 5.80 -2.211587778e-02 -2.211587778e-02 5.82 -2.025773362e-02 -2.025773362e-02 5.84 -1.847689966e-02 -1.847689966e-02 5.86 -1.678111514e-02 -1.678111514e-02 5.88 -1.517703300e-02 -1.517703300e-02 5.90 -1.366993551e-02 -1.366993551e-02 5.92 -1.226345340e-02 -1.226345340e-02 5.94 -1.095943785e-02 -1.095943785e-02 5.96 -9.758412933e-03 -9.758412933e-03 5.98 -8.659299506e-03 -8.659299506e-03 6.00 -7.659555381e-03 -7.659555381e-03