# 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 = Au2NiTi # 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 2.761828478e+02 2.761828478e+02 1.30 2.558044928e+02 2.558044928e+02 1.32 2.369400709e+02 2.369400709e+02 1.34 2.194714041e+02 2.194714041e+02 1.36 2.032893767e+02 2.032893767e+02 1.38 1.882924801e+02 1.882924801e+02 1.40 1.743871550e+02 1.743871550e+02 1.42 1.614879922e+02 1.614879922e+02 1.44 1.495170431e+02 1.495170431e+02 1.46 1.384027607e+02 1.384027607e+02 1.48 1.280793448e+02 1.280793448e+02 1.50 1.184866818e+02 1.184866818e+02 1.52 1.095702450e+02 1.095702450e+02 1.54 1.012803764e+02 1.012803764e+02 1.56 9.357115383e+01 9.357115383e+01 1.58 8.639945039e+01 8.639945039e+01 1.60 7.972457471e+01 7.972457471e+01 1.62 7.350842645e+01 7.350842645e+01 1.64 6.771578474e+01 6.771578474e+01 1.66 6.231441236e+01 6.231441236e+01 1.68 5.727498967e+01 5.727498967e+01 1.70 5.257102013e+01 5.257102013e+01 1.72 4.817869172e+01 4.817869172e+01 1.74 4.407659886e+01 4.407659886e+01 1.76 4.024908782e+01 4.024908782e+01 1.78 3.669929672e+01 3.669929672e+01 1.80 3.341158660e+01 3.341158660e+01 1.82 3.036775112e+01 3.036775112e+01 1.84 2.755057011e+01 2.755057011e+01 1.86 2.494379820e+01 2.494379820e+01 1.88 2.253226478e+01 2.253226478e+01 1.90 2.030195652e+01 2.030195652e+01 1.92 1.823999564e+01 1.823999564e+01 1.94 1.633449778e+01 1.633449778e+01 1.96 1.457436276e+01 1.457436276e+01 1.98 1.294909174e+01 1.294909174e+01 2.00 1.144871260e+01 1.144871260e+01 2.02 1.006381909e+01 1.006381909e+01 2.04 8.785656721e+00 8.785656721e+00 2.06 7.606181271e+00 7.606181271e+00 2.08 6.518061624e+00 6.518061624e+00 2.10 5.514638395e+00 5.514638395e+00 2.12 4.589856938e+00 4.589856938e+00 2.14 3.738188272e+00 3.738188272e+00 2.16 2.954546725e+00 2.954546725e+00 2.18 2.234213304e+00 2.234213304e+00 2.20 1.572773173e+00 1.572773173e+00 2.22 9.660733421e-01 9.660733421e-01 2.24 4.102044318e-01 4.102044318e-01 2.26 -9.849561449e-02 -9.849561449e-02 2.28 -5.634264032e-01 -5.634264032e-01 2.30 -9.877148476e-01 -9.877148476e-01 2.32 -1.374224755e+00 -1.374224755e+00 2.34 -1.725587766e+00 -1.725587766e+00 2.36 -2.044244215e+00 -2.044244215e+00 2.38 -2.332478693e+00 -2.332478693e+00 2.40 -2.592441497e+00 -2.592441497e+00 2.42 -2.826157268e+00 -2.826157268e+00 2.44 -3.035527654e+00 -3.035527654e+00 2.46 -3.222335104e+00 -3.222335104e+00 2.48 -3.388250840e+00 -3.388250840e+00 2.50 -3.534846468e+00 -3.534846468e+00 2.52 -3.663606527e+00 -3.663606527e+00 2.54 -3.775939073e+00 -3.775939073e+00 2.56 -3.873182374e+00 -3.873182374e+00 2.58 -3.956606764e+00 -3.956606764e+00 2.60 -4.027450842e+00 -4.027450842e+00 2.62 -4.086844219e+00 -4.086844219e+00 2.64 -4.135753192e+00 -4.135753192e+00 2.66 -4.175067115e+00 -4.175067115e+00 2.68 -4.205597534e+00 -4.205597534e+00 2.70 -4.228080406e+00 -4.228080406e+00 2.72 -4.243183940e+00 -4.243183940e+00 2.74 -4.251551786e+00 -4.251551786e+00 2.76 -4.253806901e+00 -4.253806901e+00 2.78 -4.250173889e+00 -4.250173889e+00 2.80 -4.240751916e+00 -4.240751916e+00 2.82 -4.225672973e+00 -4.225672973e+00 2.84 -4.205115199e+00 -4.205115199e+00 2.86 -4.179290230e+00 -4.179290230e+00 2.88 -4.148434886e+00 -4.148434886e+00 2.90 -4.112805854e+00 -4.112805854e+00 2.92 -4.072667842e+00 -4.072667842e+00 2.94 -4.028293340e+00 -4.028293340e+00 2.96 -3.979974105e+00 -3.979974105e+00 2.98 -3.928022757e+00 -3.928022757e+00 3.00 -3.872773831e+00 -3.872773831e+00 3.02 -3.814583289e+00 -3.814583289e+00 3.04 -3.753824471e+00 -3.753824471e+00 3.06 -3.690879611e+00 -3.690879611e+00 3.08 -3.626126986e+00 -3.626126986e+00 3.10 -3.559926827e+00 -3.559926827e+00 3.12 -3.492608550e+00 -3.492608550e+00 3.14 -3.424462440e+00 -3.424462440e+00 3.16 -3.355736336e+00 -3.355736336e+00 3.18 -3.286637570e+00 -3.286637570e+00 3.20 -3.217338008e+00 -3.217338008e+00 3.22 -3.147980578e+00 -3.147980578e+00 3.24 -3.078685747e+00 -3.078685747e+00 3.26 -3.009557050e+00 -3.009557050e+00 3.28 -2.940685303e+00 -2.940685303e+00 3.30 -2.872151576e+00 -2.872151576e+00 3.32 -2.804029150e+00 -2.804029150e+00 3.34 -2.736384786e+00 -2.736384786e+00 3.36 -2.669279596e+00 -2.669279596e+00 3.38 -2.602769752e+00 -2.602769752e+00 3.40 -2.536907192e+00 -2.536907192e+00 3.42 -2.471740540e+00 -2.471740540e+00 3.44 -2.407316035e+00 -2.407316035e+00 3.46 -2.343678759e+00 -2.343678759e+00 3.48 -2.280873761e+00 -2.280873761e+00 3.50 -2.218946940e+00 -2.218946940e+00 3.52 -2.157945364e+00 -2.157945364e+00 3.54 -2.097916758e+00 -2.097916758e+00 3.56 -2.038908022e+00 -2.038908022e+00 3.58 -1.980962937e+00 -1.980962937e+00 3.60 -1.924119453e+00 -1.924119453e+00 3.62 -1.868407168e+00 -1.868407168e+00 3.64 -1.813845590e+00 -1.813845590e+00 3.66 -1.760443569e+00 -1.760443569e+00 3.68 -1.708199983e+00 -1.708199983e+00 3.70 -1.657105474e+00 -1.657105474e+00 3.72 -1.607144857e+00 -1.607144857e+00 3.74 -1.558299803e+00 -1.558299803e+00 3.76 -1.510551423e+00 -1.510551423e+00 3.78 -1.463882517e+00 -1.463882517e+00 3.80 -1.418279275e+00 -1.418279275e+00 3.82 -1.373732314e+00 -1.373732314e+00 3.84 -1.330236965e+00 -1.330236965e+00 3.86 -1.287792765e+00 -1.287792765e+00 3.88 -1.246402233e+00 -1.246402233e+00 3.90 -1.206069054e+00 -1.206069054e+00 3.92 -1.166795934e+00 -1.166795934e+00 3.94 -1.128582562e+00 -1.128582562e+00 3.96 -1.091423662e+00 -1.091423662e+00 3.98 -1.055307858e+00 -1.055307858e+00 4.00 -1.020217135e+00 -1.020217135e+00 4.02 -9.861270171e-01 -9.861270171e-01 4.04 -9.530073593e-01 -9.530073593e-01 4.06 -9.208235475e-01 -9.208235475e-01 4.08 -8.895379366e-01 -8.895379366e-01 4.10 -8.591112890e-01 -8.591112890e-01 4.12 -8.295044883e-01 -8.295044883e-01 4.14 -8.006794445e-01 -8.006794445e-01 4.16 -7.726005478e-01 -7.726005478e-01 4.18 -7.452355697e-01 -7.452355697e-01 4.20 -7.185564496e-01 -7.185564496e-01 4.22 -6.925398738e-01 -6.925398738e-01 4.24 -6.671676264e-01 -6.671676264e-01 4.26 -6.424266914e-01 -6.424266914e-01 4.28 -6.183090929e-01 -6.183090929e-01 4.30 -5.948114780e-01 -5.948114780e-01 4.32 -5.719344737e-01 -5.719344737e-01 4.34 -5.496818712e-01 -5.496818712e-01 4.36 -5.280597116e-01 -5.280597116e-01 4.38 -5.070753436e-01 -5.070753436e-01 4.40 -4.867365156e-01 -4.867365156e-01 4.42 -4.670505311e-01 -4.670505311e-01 4.44 -4.480234718e-01 -4.480234718e-01 4.46 -4.296594716e-01 -4.296594716e-01 4.48 -4.119600222e-01 -4.119600222e-01 4.50 -3.949233083e-01 -3.949233083e-01 4.52 -3.785435993e-01 -3.785435993e-01 4.54 -3.628107485e-01 -3.628107485e-01 4.56 -3.477098706e-01 -3.477098706e-01 4.58 -3.332212581e-01 -3.332212581e-01 4.60 -3.193205771e-01 -3.193205771e-01 4.62 -3.059793464e-01 -3.059793464e-01 4.64 -2.931656672e-01 -2.931656672e-01 4.66 -2.808451433e-01 -2.808451433e-01 4.68 -2.689819177e-01 -2.689819177e-01 4.70 -2.575397513e-01 -2.575397513e-01 4.72 -2.464830812e-01 -2.464830812e-01 4.74 -2.357780136e-01 -2.357780136e-01 4.76 -2.253932220e-01 -2.253932220e-01 4.78 -2.153007346e-01 -2.153007346e-01 4.80 -2.054765631e-01 -2.054765631e-01 4.82 -1.959014239e-01 -1.959014239e-01 4.84 -1.865608743e-01 -1.865608743e-01 4.86 -1.774457662e-01 -1.774457662e-01 4.88 -1.685522845e-01 -1.685522845e-01 4.90 -1.598818371e-01 -1.598818371e-01 4.92 -1.514407237e-01 -1.514407237e-01 4.94 -1.432395665e-01 -1.432395665e-01 4.96 -1.352925033e-01 -1.352925033e-01 4.98 -1.276161649e-01 -1.276161649e-01 5.00 -1.202284852e-01 -1.202284852e-01 5.02 -1.131474143e-01 -1.131474143e-01 5.04 -1.063896277e-01 -1.063896277e-01 5.06 -9.996932903e-02 -9.996932903e-02 5.08 -9.389724276e-02 -9.389724276e-02 5.10 -8.817987282e-02 -8.817987282e-02 5.12 -8.281907331e-02 -8.281907331e-02 5.14 -7.781194525e-02 -7.781194525e-02 5.16 -7.315103716e-02 -7.315103716e-02 5.18 -6.882479608e-02 -6.882479608e-02 5.20 -6.481818343e-02 -6.481818343e-02 5.22 -6.111323292e-02 -6.111323292e-02 5.24 -5.769033499e-02 -5.769033499e-02 5.26 -5.452863400e-02 -5.452863400e-02 5.28 -5.160660740e-02 -5.160660740e-02 5.30 -4.890303602e-02 -4.890303602e-02 5.32 -4.639711500e-02 -4.639711500e-02 5.34 -4.406882010e-02 -4.406882010e-02 5.36 -4.189918338e-02 -4.189918338e-02 5.38 -3.987046788e-02 -3.987046788e-02 5.40 -3.796626155e-02 -3.796626155e-02 5.42 -3.617151002e-02 -3.617151002e-02 5.44 -3.447250647e-02 -3.447250647e-02 5.46 -3.285685389e-02 -3.285685389e-02 5.48 -3.131341273e-02 -3.131341273e-02 5.50 -2.983224391e-02 -2.983224391e-02 5.52 -2.840455489e-02 -2.840455489e-02 5.54 -2.702265396e-02 -2.702265396e-02 5.56 -2.567991537e-02 -2.567991537e-02 5.58 -2.437075669e-02 -2.437075669e-02 5.60 -2.309062729e-02 -2.309062729e-02 5.62 -2.183600452e-02 -2.183600452e-02 5.64 -2.060439312e-02 -2.060439312e-02 5.66 -1.939432128e-02 -1.939432128e-02 5.68 -1.820532599e-02 -1.820532599e-02 5.70 -1.703791952e-02 -1.703791952e-02 5.72 -1.589352970e-02 -1.589352970e-02 5.74 -1.477440779e-02 -1.477440779e-02 5.76 -1.368349822e-02 -1.368349822e-02 5.78 -1.262413549e-02 -1.262413549e-02 5.80 -1.160011033e-02 -1.160011033e-02 5.82 -1.061543895e-02 -1.061543895e-02 5.84 -9.674032878e-03 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